A0A087YB63_POEFO Loading...

3-phosphoinositide-dependent protein kinase 1

AlphaFold DB , UniProt , Accession A0A087YB63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 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	38.2	Very low	33.4	Very low	247 Å²	247	157.7 Å²	157.7	100%	1.217	85%	0.85	S	S	*	*				0	146.9	0	-59.3	175.6	-175.9	0	0	107.1
2	A	35.5	Very low	33.3	Very low	105 Å²	105	154.4 Å²	154.4	87%	0.868	84%	0.839	S	S	*	*			cis	-107	-171.3	-0.9	0	0	0	0	0	112.2
3	R	31.4	Very low	33.1	Very low	238 Å²	238	151.3 Å²	151.3	90%	0.898	83%	0.831	S	S	*	*			trans	-90.2	141.6	-170.1	-71.4	174.5	170.9	153.4	-4.8	113
4	A	33.6	Very low	33.1	Very low	103 Å²	103	151.9 Å²	151.9	85%	0.851	83%	0.831	S	S	*	*			trans	-78.7	151.3	152.3	0	0	0	0	0	109.9
5	T	37.1	Very low	33	Very low	136 Å²	136	152.4 Å²	152.4	83%	0.834	83%	0.825	S	S	*	*			trans	-124.2	118.3	171.1	43.7	0	0	0	0	108.7
6	S	33.1	Very low	33	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	82%	0.82	S	S	*	*			trans	-90.6	135.9	172.1	-176.8	0	0	0	0	108.9
7	Q	33.8	Very low	32.8	Very low	150 Å²	150	150.6 Å²	150.6	70%	0.701	82%	0.822	S	S	*	*			trans	-123.9	112.1	159.5	-77.6	-171.8	-23.4	0	0	108.3	Y9	Q7-Y9 HydrophobicContact CB-CD2 4.47Å; Q7-Y9 HydrophobicContact CB-CE2 4.01Å; Q7-Y9 PolarHBondContact OE1-OH 3.13Å
8	M	31.8	Very low	32.7	Very low	172 Å²	172	148.8 Å²	148.8	85%	0.847	82%	0.816	S	S	*	*			trans	-76.4	145.4	159.7	-69.6	176.3	165.6	0	0	108.3
9	Y	31.5	Very low	32.5	Very low	185 Å²	185	146.2 Å²	146.2	73%	0.725	82%	0.816	S	S	*	*			trans	-122.7	133.7	165.1	-81.7	-84.7	0	0	0	108.3	Q7	Q7-Y9 HydrophobicContact CB-CD2 4.47Å; Q7-Y9 HydrophobicContact CB-CE2 4.01Å; Q7-Y9 PolarHBondContact OE1-OH 3.13Å
10	D	29.7	Very low	32.4	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	81%	0.812	S	S	*	*			trans	-71	143.8	-167.1	-66.3	-71.8	0	0	0	114.1	V12	D10-V12 PolarHBondContact O-N 2.92Å
11	V	31.6	Very low	32	Very low	140 Å²	140	144.7 Å²	144.7	85%	0.848	81%	0.811	S	S	*	*			trans	-86.9	100.4	173	179.4	0	0	0	0	109.1	P13	V11-P13 WeakPolarHBondContact O-CD 3.25Å
12	V	32.6	Very low	31.6	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.715	79%	0.787	S	S	*	*			trans	-86.9	119.3	172.6	-178.8	0	0	0	0	109.9	D10 I14	D10-V12 PolarHBondContact O-N 2.92Å; V12-I14 PolarHBondContact O-N 3.12Å
13	P	30.7	Very low	31.2	Very low	114 Å²	114	138.3 Å²	138.3	74%	0.74	78%	0.783	S	S	*	*			trans	-80.4	115.9	179.9	31	-33.3	0	0	0	111.6	V11	V11-P13 WeakPolarHBondContact O-CD 3.25Å
14	I	32.5	Very low	31	Very low	160 Å²	160	132.5 Å²	132.5	82%	0.821	78%	0.779	S	S	*	*			trans	-90	120.3	173.6	-60.7	177.7	0	0	0	109.6	V12	V12-I14 PolarHBondContact O-N 3.12Å
15	Q	31.5	Very low	30.8	Very low	159 Å²	159	136.1 Å²	136.1	74%	0.743	78%	0.778	S	S	*	*			trans	-79.9	144.1	177.2	-67.6	179.8	-22.9	0	0	112	N17	Q15-N17 PolarHBondContact O-N 3.3Å; Q15-N17 VanDerWaalsContact O-N 3.17Å
16	P	33.5	Very low	30.5	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	78%	0.777	S	S	*	*			trans	-81.6	91.8	176.6	32.7	-33.9	0	0	0	111.7	V18	P16-V18 PolarHBondContact O-N 3.01Å
17	N	29.6	Very low	30.2	Very low	158 Å²	158	135.5 Å²	135.5	85%	0.845	78%	0.776	S	S	*	*			trans	-72	95	171.3	-94.1	-18.1	0	0	0	111.3	Q15 A19	Q15-N17 PolarHBondContact O-N 3.3Å; Q15-N17 VanDerWaalsContact O-N 3.17Å; N17-A19 PolarHBondContact O-N 3.09Å
18	V	31.8	Very low	29.9	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.715	79%	0.788	S	S	*	*			trans	-85.8	100	172.1	-178.7	0	0	0	0	109.6	P16 I20	P16-V18 PolarHBondContact O-N 3.01Å; V18-I20 HydrophobicContact CG1-CG1 4.04Å; V18-I20 PolarHBondContact O-N 3.22Å
19	A	28	Very low	29.7	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	78%	0.782	S	S	*	*			trans	-76.2	89.6	175.6	0	0	0	0	0	111.4	N17 C21	N17-A19 PolarHBondContact O-N 3.09Å; A19-C21 PolarHBondContact O-N 3.07Å; A19-C21 VanDerWaalsContact O-N 3.17Å
20	I	30.6	Very low	29.5	Very low	144 Å²	144	135.8 Å²	135.8	74%	0.738	79%	0.789	S	S	*	*			trans	-75.7	99	170.4	-55.3	179.7	0	0	0	108.6	V18 S22	V18-I20 HydrophobicContact CG1-CG1 4.04Å; V18-I20 PolarHBondContact O-N 3.22Å; I20-S22 PolarHBondContact O-N 2.97Å
21	C	24.9	Very low	29.4	Very low	117 Å²	117	135.7 Å²	135.7	79%	0.791	79%	0.789	S	S	*	*			trans	-82.8	105.2	170.3	-167.8	0	0	0	0	109.9	A19	A19-C21 PolarHBondContact O-N 3.07Å; A19-C21 VanDerWaalsContact O-N 3.17Å
22	S	28	Very low	29.2	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	79%	0.789	S	S	*	*			trans	-102.3	120.4	174.1	44.7	0	0	0	0	110.1	I20	I20-S22 PolarHBondContact O-N 2.97Å
23	C	26.9	Very low	29.5	Very low	116 Å²	116	137 Å²	137	78%	0.784	79%	0.786	S	S	*	*			trans	-132.8	108.8	177.9	-81	0	0	0	0	110.7
24	S	27.6	Very low	29.3	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	79%	0.786	S	S	*	*			trans	-52.3	150.2	-176.1	-47.7	0	0	0	0	115.6
25	H	30.2	Very low	29	Very low	180 Å²	180	135 Å²	135	83%	0.833	78%	0.778	S	S	*	*			trans	-56.5	154.4	155.4	-80.7	-80.3	0	0	0	111.5
26	P	31.7	Very low	28.8	Very low	125 Å²	125	134 Å²	134	81%	0.812	79%	0.788	S	S	*	*				-112.4	135.9	125.7	-4.2	22.9	0	0	0	110.6
27	S	26.3	Very low	28.6	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	79%	0.79	S	S	*	*			trans	-98.3	131.5	163.3	177.1	0	0	0	0	108.8
28	M	27.3	Very low	28.8	Very low	192 Å²	192	132.3 Å²	132.3	95%	0.946	79%	0.788	S	S	*	*			trans	-138.4	112.6	157.1	-80.7	-155.5	170.6	0	0	109.8
29	A	26.8	Very low	28.5	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	80%	0.799	S	S	*	*			trans	-101.1	135.6	165	0	0	0	0	0	109.1
30	R	28.1	Very low	28.3	Very low	233 Å²	233	135.2 Å²	135.2	88%	0.879	80%	0.798	S	S	*	*			trans	-163.3	115.8	152	-110.6	165.6	-161.5	-163.9	4.2	112.2
31	N	27.2	Very low	28.5	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	80%	0.801	S	S	*	*			trans	50.3	113.7	132.2	-56.8	16.9	0	0	0	120.1
32	H	27.6	Very low	28.7	Very low	184 Å²	184	135.6 Å²	135.6	85%	0.852	80%	0.798	S	S	*	*			trans	-40.3	154.3	136.1	-90.2	-61	0	0	0	112.9
33	P	37.8	Very low	28.6	Very low	102 Å²	102	135.5 Å²	135.5	66%	0.662	80%	0.798	S	S	*	*				-145.7	-175.8	61.3	41.2	-21.9	0	0	0	117.4
34	D	27.4	Very low	28.6	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	80%	0.798	S	S	*	*			trans	70.8	159	157.1	-68.4	-48.6	0	0	0	120.4
35	S	27.1	Very low	28.6	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	79%	0.792	S	S	*	*			cis	174.5	111.4	-37.6	-93.7	0	0	0	0	107.2
36	C	25.8	Very low	28.6	Very low	139 Å²	139	131.8 Å²	131.8	94%	0.939	79%	0.788	S	S	*	*			trans	177	162.9	149.2	-100.9	0	0	0	0	114.5
37	S	30.2	Very low	28.4	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	79%	0.788	S	S	*	*			trans	-90	167	-179.2	-52.9	0	0	0	0	112.8
38	P	32.8	Very low	28.4	Very low	124 Å²	124	135 Å²	135	81%	0.805	79%	0.793	S	S	*	*			trans	-82.6	160	-172.4	33.9	-36.1	0	0	0	113.9
39	L	25.5	Very low	28.4	Very low	183 Å²	183	131.3 Å²	131.3	96%	0.958	78%	0.784	S	S	*	*			trans	-130.3	165.6	171.9	-83.7	175	0	0	0	112.7
40	A	25.6	Very low	29.2	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	79%	0.79	S	S	*	*			trans	-99	-175.6	-149.5	0	0	0	0	0	116.9
41	I	32.8	Very low	29.3	Very low	157 Å²	157	129.6 Å²	129.6	81%	0.805	79%	0.788	S	S	*	*			trans	-81.8	152.5	-174.4	-58.1	154	0	0	0	112.4
42	P	30.5	Very low	29.4	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	79%	0.79	S	S	*	*			trans	-121.1	127.2	131.2	3.8	17.3	0	0	0	110.2
43	S	26.6	Very low	29.5	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	78%	0.784	S	S	*	*				66.3	141.3	65.7	80.3	0	0	0	0	112.6
44	T	26	Very low	28.9	Very low	128 Å²	128	127.2 Å²	127.2	79%	0.785	78%	0.781	S	S	*	*			cis	-141.2	-169	24	53.8	0	0	0	0	109.7
45	S	28.4	Very low	29	Very low	100 Å²	100	126.3 Å²	126.3	70%	0.699	79%	0.785	S	S	*	*			cis	-169.5	170	-3.3	26.4	0	0	0	0	108.6
46	S	29	Very low	29.3	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	79%	0.792	S	S	*	*				177.7	74.8	-50.9	52.7	0	0	0	0	112.3
47	S	27	Very low	29.8	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	79%	0.786	S	S	*	*			trans	-144.2	138.8	-179.3	58.7	0	0	0	0	113.4
48	H	27.1	Very low	29.8	Very low	183 Å²	183	130 Å²	130	85%	0.847	79%	0.789	S	S	*	*			cis	-158.1	172	-13.8	-129.1	34.2	0	0	0	109.9
49	C	26.3	Very low	31	Very low	113 Å²	113	129.5 Å²	129.5	76%	0.764	79%	0.786	S	S	*	*			trans	-120.9	172.8	-170.8	-97.1	0	0	0	0	111
50	P	45.5	Very low	31	Very low	130 Å²	130	127 Å²	127	84%	0.844	78%	0.782	S	S	*	*				-151.3	-171.1	51.3	42.2	-18.8	0	0	0	119.2
51	N	29.8	Very low	31.2	Very low	155 Å²	155	128.3 Å²	128.3	83%	0.829	78%	0.781	S	S	*	*			trans	-104.1	160.7	-171.3	-71.8	-23	0	0	0	115.7
52	M	29.7	Very low	31.1	Very low	171 Å²	171	128 Å²	128	84%	0.842	79%	0.785	S	S	*	*			trans	177.3	153.7	137	-101.8	175.2	170.1	0	0	108.5
53	E	28.2	Very low	31	Very low	158 Å²	158	126.5 Å²	126.5	74%	0.738	79%	0.79	S	S	*	*			cis	-163.2	178.9	-27.8	-125	-164.9	-96.7	0	0	107.2
54	G	26.4	Very low	31.3	Very low	57 Å²	57	126.2 Å²	126.2	59%	0.588	80%	0.795	S	S	*	*			cis	171.1	146.8	-0.9	0	0	0	0	0	113
55	S	29.4	Very low	32.2	Very low	117 Å²	117	126.6 Å²	126.6	82%	0.818	80%	0.799	S	S	*	*			trans	71.3	144.8	149.1	-56.4	0	0	0	0	122.7
56	S	32.4	Very low	32.3	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	81%	0.806	S	S	*	*			trans	-86.4	170.7	-176	-43.7	0	0	0	0	114.8
57	P	35.7	Very low	32.4	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	81%	0.812	S	S	*	*				-147.7	164.4	122.3	38.2	-23.2	0	0	0	117.5
58	Q	30.6	Very low	32.8	Very low	183 Å²	183	124.5 Å²	124.5	86%	0.855	81%	0.81	S	S	*	*			trans	-119.1	-168.8	151.2	-69	-169.7	-21	0	0	107.9
59	P	58.6	Low	33.2	Very low	115 Å²	115	125.4 Å²	125.4	75%	0.747	82%	0.815	S	S	*	*				-119.1	170.4	-77.1	37.9	-24.1	0	0	0	112
60	C	26.2	Very low	33.7	Very low	129 Å²	129	125.6 Å²	125.6	87%	0.872	82%	0.818	S	S	*	*			trans	-155.8	179.5	165.4	-123.3	0	0	0	0	114.1
61	T	28.3	Very low	33.3	Very low	125 Å²	125	124.2 Å²	124.2	77%	0.767	82%	0.817	S	S	*	*			trans	-138.4	179.7	-149.6	45.8	0	0	0	0	115
62	V	30.6	Very low	34	Very low	149 Å²	149	125.3 Å²	125.3	90%	0.903	82%	0.823	S	S	*	*			trans	92.2	126.5	161.5	-168.5	0	0	0	0	117.5
63	G	29	Very low	34.3	Very low	80 Å²	80	120.6 Å²	120.6	83%	0.825	82%	0.818	S	S	*	*			trans	163.3	98.6	167.2	0	0	0	0	0	114.3
64	A	34.1	Very low	35	Very low	96 Å²	96	124.6 Å²	124.6	79%	0.793	83%	0.827	S	S	*	*			trans	-133.8	149.9	168.1	0	0	0	0	0	108.1
65	P	44.9	Very low	35.7	Very low	136 Å²	136	126.5 Å²	126.5	88%	0.883	84%	0.836	S	S	*	*				-133.2	-178	69.8	36.1	-19.5	0	0	0	112
66	G	29.6	Very low	36.5	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	84%	0.837	S	S	*	*			cis	155.5	134	-2.9	0	0	0	0	0	109
67	G	31.2	Very low	37.2	Very low	85 Å²	85	129.8 Å²	129.8	88%	0.876	84%	0.837	S	S	*	*			trans	-179.3	127.2	-175	0	0	0	0	0	112.1
68	S	34.5	Very low	37.7	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	84%	0.835	S	S	*	*			trans	-93.5	133.2	-171.6	54.6	0	0	0	0	113.3
69	Q	35.9	Very low	38.4	Very low	202 Å²	202	124.2 Å²	124.2	94%	0.944	83%	0.833	S	S	*	*				-163.3	157.4	130	-110.5	161.3	74.3	0	0	111.9
70	S	38.2	Very low	37.8	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	84%	0.838	S	S	*	*			trans	-119.7	136.1	-163.3	52.7	0	0	0	0	112.9
71	A	36.6	Very low	38.6	Very low	101 Å²	101	129.7 Å²	129.7	84%	0.835	84%	0.838	S	S	*	*			trans	-155.8	129.3	159.2	0	0	0	0	0	110.5	G73	A71-G73 PolarHBondContact O-N 3.2Å; A71-G73 VanDerWaalsContact O-N 3.13Å
72	D	44.9	Very low	39.5	Very low	179 Å²	179	129.6 Å²	129.6	96%	0.957	84%	0.839	S	S	*	*			trans	-73.2	100.3	176.4	-86	-65.4	0	0	0	111.8
73	G	35.9	Very low	40.4	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	84%	0.835	S	S	*	*			trans	-99.2	90.1	173.7	0	0	0	0	0	111.8	A71 A75	A71-G73 PolarHBondContact O-N 3.2Å; A71-G73 VanDerWaalsContact O-N 3.13Å; G73-A75 PolarHBondContact O-N 3.46Å
74	R	42.3	Very low	42	Very low	243 Å²	243	132.4 Å²	132.4	92%	0.917	83%	0.831	S	S	*	*			trans	-60.1	101	179.6	-168.1	-179.3	-167	174.2	4.6	111	Q76	R74-Q76 PolarHBondContact O-N 3.2Å; R74-Q76 VanDerWaalsContact O-N 3.12Å
75	A	40.7	Very low	44.2	Very low	96 Å²	96	134.5 Å²	134.5	79%	0.793	82%	0.818	S	S	*	*			trans	-57.8	115	-173.1	0	0	0	0	0	112.1	G73	G73-A75 PolarHBondContact O-N 3.46Å
76	Q	46.5	Very low	46.1	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.8	170	-64	-177.7	2.2	0	0	109.2	R74 A78	R74-Q76 PolarHBondContact O-N 3.2Å; R74-Q76 VanDerWaalsContact O-N 3.12Å; Q76-A78 PolarHBondContact O-N 2.84Å
77	P	47.7	Very low	49.1	Very low	126 Å²	126	136.1 Å²	136.1	82%	0.818	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.1	129.4	170.7	-21.2	32.7	0	0	0	109.8	A79	P77-A79 PolarHBondContact O-N 3.31Å; P77-A79 VanDerWaalsContact O-N 3.09Å
78	A	45.9	Very low	52.2	Low	94 Å²	94	136.2 Å²	136.2	78%	0.777	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57.6	118.5	176.2	0	0	0	0	0	109.4	Q76 Q80	Q76-A78 PolarHBondContact O-N 2.84Å; A78-Q80 PolarHBondContact O-N 2.79Å
79	A	44.6	Very low	55	Low	97 Å²	97	132.9 Å²	132.9	80%	0.802	74%	0.741	S	S	*	*			trans	-61.8	110.9	-178.1	0	0	0	0	0	109.5	P77 M81	P77-A79 PolarHBondContact O-N 3.31Å; P77-A79 VanDerWaalsContact O-N 3.09Å; A79-M81 PolarHBondContact O-N 3.34Å
80	Q	45.3	Very low	57.8	Low	183 Å²	183	128.6 Å²	128.6	86%	0.855	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-59.1	124.5	173.6	-65.7	-179.1	0.1	0	0	108.2	A78	A78-Q80 PolarHBondContact O-N 2.79Å
81	M	43.7	Very low	60.6	Low	176 Å²	176	124.7 Å²	124.7	87%	0.867	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-55.8	126.8	175	-65.3	-176.8	-177	0	0	108.4	A79 Q83	A79-M81 PolarHBondContact O-N 3.34Å; M81-Q83 PolarHBondContact O-N 2.72Å
82	P	46.9	Very low	63.5	Low	122 Å²	122	120.4 Å²	120.4	79%	0.792	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-62.7	117.6	-173.6	23.2	-32.7	0	0	0	110
83	Q	49.8	Very low	66	Low	174 Å²	174	119.3 Å²	119.3	81%	0.813	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-48.5	130.1	171.2	-77.7	-80.9	-13.7	0	0	109.2	M81 R85	M81-Q83 PolarHBondContact O-N 2.72Å; Q83-R85 PolarHBondContact O-N 2.65Å
84	P	62.4	Low	68.9	Low	115 Å²	115	119.3 Å²	119.3	75%	0.747	62%	0.619	S	S	*	*			trans	-61.7	111.8	-173.4	23.2	-32.9	0	0	0	110.5	K86	P84-K86 PolarHBondContact O-N 2.78Å
85	R	79.6	Confident	71.3	Confident	140 Å²	140	110.1 Å²	110.1	53%	0.528	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-49.5	124.2	176.4	165	176.3	149.1	124.7	-4.3	109.3	Q83 K87 E90 D91	Q83-R85 PolarHBondContact O-N 2.65Å; R85-K87 PolarHBondContact O-N 3.47Å; R85-E90 IonicContact CZ-OE1 3.49Å; R85-E90 IonicContact NH1-OE1 3.74Å; R85-E90 PolarHBondContact NH1-OE1 2.95Å; R85-E90 IonicContact NH2-OE1 2.65Å; R85-E90 PolarHBondContact NH2-OE1 2.78Å; R85-D91 IonicContact CZ-OD1 3.47Å; R85-D91 IonicContact NE-OD1 3.46Å; R85-D91 PolarHBondContact NE-OD1 3.38Å; R85-D91 IonicContact NE-OD2 3.77Å; R85-D91 IonicContact NH2-OD1 2.68Å; R85-D91 PolarHBondContact NH2-OD1 2.7Å; R85-D91 IonicContact NH2-OD2 3.94Å; R85-D91 PolarHBondContact NH2-OD2 3.12Å
86	K	85.9	Confident	73.7	Confident	190 Å²	190	111.4 Å²	111.4	83%	0.826	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.1	123.1	170.2	-74	-177.3	178	175.5	0	108.5	P84	P84-K86 PolarHBondContact O-N 2.78Å
87	K	93.4	Very high	75.9	Confident	60 Å²	60	107.4 Å²	107.4	26%	0.261	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-64.7	155.8	-178.6	-54.5	-170.1	-169.5	-65.1	0	110.9	R85 D91 F92 E111 F157 F159	R85-K87 PolarHBondContact O-N 3.47Å; K87-D91 VanDerWaalsContact CA-OD2 3.26Å; K87-D91 WeakPolarHBondContact CA-OD2 3.23Å; K87-F92 HydrophobicContact CB-CE2 4.09Å; K87-F92 HydrophobicContact CB-CZ 4.33Å; K87-F92 HydrophobicContact CD-CE2 4.3Å; K87-F92 HydrophobicContact CD-CZ 3.7Å; K87-E111 WeakPolarHBondContact CE-OE1 3.46Å; K87-E111 IonicContact NZ-OE1 3.34Å; K87-E111 PolarHBondContact NZ-OE1 3.3Å; K87-F157 HydrophobicContact CD-CD1 3.88Å; K87-F157 HydrophobicContact CD-CD2 4.14Å; K87-F157 HydrophobicContact CD-CE1 3.84Å; K87-F157 HydrophobicContact CD-CE2 4.11Å; K87-F157 HydrophobicContact CD-CG 4.04Å; K87-F157 HydrophobicContact CD-CZ 3.98Å; K87-F159 HydrophobicContact CB-CD1 3.94Å; K87-F159 HydrophobicContact CB-CE1 4.21Å; K87-F159 WeakPolarHBondContact O-CB 3.41Å; K87-F159 WeakPolarHBondContact O-CG 3.28Å
88	K	94.6	Very high	77.8	Confident	88 Å²	88	104.4 Å²	104.4	38%	0.383	55%	0.548	S	S	.	.			trans	-138.3	168.5	-177.9	-74.8	179.7	174.1	-172.5	0	110.3	E90 D91 F92	K88-E90 HydrophobicContact CB-CG 3.86Å; K88-E90 HydrophobicContact CD-CG 3.82Å; K88-E90 VanDerWaalsContact CD-OE1 3.23Å; K88-E90 WeakPolarHBondContact CD-OE1 3.42Å; K88-E90 VanDerWaalsContact CD-OE2 3.25Å; K88-E90 WeakPolarHBondContact CD-OE2 3.28Å; K88-E90 IonicContact NZ-OE1 2.79Å; K88-E90 PolarHBondContact NZ-OE1 2.91Å; K88-E90 IonicContact NZ-OE2 2.84Å; K88-E90 PolarHBondContact NZ-OE2 3.29Å; K88-E90 PolarHBondContact O-N 2.65Å; K88-D91 PolarHBondContact N-OD2 3.23Å; K88-D91 PolarHBondContact O-N 3.47Å; K88-D91 VanDerWaalsContact O-N 3.12Å; K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.31Å; K88-F92 WeakPolarHBondContact O-CE2 3.35Å
89	P	94.4	Very high	79.5	Confident	40 Å²	40	101.4 Å²	101.4	26%	0.26	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-55.4	-35.4	172	-23.6	33.4	0	0	0	113.6	D91 F92 F94 F159 Y166	P89-D91 PolarHBondContact O-N 3.43Å; P89-F92 PolarHBondContact O-N 2.94Å; P89-F94 HydrophobicContact CB-CE2 4.36Å; P89-F159 HydrophobicContact CG-CE2 3.94Å; P89-Y166 HydrophobicContact CG-CE1 4.43Å; P89-Y166 HydrophobicContact CG-CE2 4.11Å
90	E	95.2	Very high	81.1	Confident	112 Å²	112	103.5 Å²	103.5	52%	0.523	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-63.4	-17.2	179.3	73.5	-163.2	-150.7	0	0	114.2	R85 K88 F92	R85-E90 IonicContact CZ-OE1 3.49Å; R85-E90 IonicContact NH1-OE1 3.74Å; R85-E90 PolarHBondContact NH1-OE1 2.95Å; R85-E90 IonicContact NH2-OE1 2.65Å; R85-E90 PolarHBondContact NH2-OE1 2.78Å; K88-E90 HydrophobicContact CB-CG 3.86Å; K88-E90 HydrophobicContact CD-CG 3.82Å; K88-E90 VanDerWaalsContact CD-OE1 3.23Å; K88-E90 WeakPolarHBondContact CD-OE1 3.42Å; K88-E90 VanDerWaalsContact CD-OE2 3.25Å; K88-E90 WeakPolarHBondContact CD-OE2 3.28Å; K88-E90 IonicContact NZ-OE1 2.79Å; K88-E90 PolarHBondContact NZ-OE1 2.91Å; K88-E90 IonicContact NZ-OE2 2.84Å; K88-E90 PolarHBondContact NZ-OE2 3.29Å; K88-E90 PolarHBondContact O-N 2.65Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.74Å
91	D	96.1	Very high	82.3	Confident	34 Å²	34	96.8 Å²	96.8	18%	0.182	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-83.3	-2.2	179.3	-59.4	-48.3	0	0	0	113.3	R85 K87 K88 P89 L112	R85-D91 IonicContact CZ-OD1 3.47Å; R85-D91 IonicContact NE-OD1 3.46Å; R85-D91 PolarHBondContact NE-OD1 3.38Å; R85-D91 IonicContact NE-OD2 3.77Å; R85-D91 IonicContact NH2-OD1 2.68Å; R85-D91 PolarHBondContact NH2-OD1 2.7Å; R85-D91 IonicContact NH2-OD2 3.94Å; R85-D91 PolarHBondContact NH2-OD2 3.12Å; K87-D91 VanDerWaalsContact CA-OD2 3.26Å; K87-D91 WeakPolarHBondContact CA-OD2 3.23Å; K88-D91 PolarHBondContact N-OD2 3.23Å; K88-D91 PolarHBondContact O-N 3.47Å; K88-D91 VanDerWaalsContact O-N 3.12Å; P89-D91 PolarHBondContact O-N 3.43Å; D91-L112 PolarHBondContact O-N 3.07Å
92	F	97.4	Very high	83.7	Confident	12 Å²	12	93.4 Å²	93.4	5%	0.053	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.2	-172.1	-59.4	-89.5	0	0	0	113.8	K87 K88 P89 E90 F94 A109 K110 E111 Y118 I120 F157 F159	K87-F92 HydrophobicContact CB-CE2 4.09Å; K87-F92 HydrophobicContact CB-CZ 4.33Å; K87-F92 HydrophobicContact CD-CE2 4.3Å; K87-F92 HydrophobicContact CD-CZ 3.7Å; K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.31Å; K88-F92 WeakPolarHBondContact O-CE2 3.35Å; P89-F92 PolarHBondContact O-N 2.94Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.74Å; F92-F94 HydrophobicContact CB-CD2 4.48Å; F92-F94 HydrophobicContact CB-CE2 4.11Å; F92-F94 HydrophobicContact CB-CZ 4.34Å; F92-A109 HydrophobicContact CB-CB 4.26Å; F92-A109 HydrophobicContact CD1-CB 4.19Å; F92-A109 HydrophobicContact CG-CB 4.49Å; F92-K110 WeakPolarHBondContact CA-O 3.32Å; F92-E111 HydrophobicContact CD1-CB 3.94Å; F92-E111 HydrophobicContact CE1-CB 3.84Å; F92-E111 HydrophobicContact CE1-CG 4.37Å; F92-Y118 HydrophobicContact CE1-CD2 4.04Å; F92-Y118 HydrophobicContact CE1-CE2 4.28Å; F92-I120 HydrophobicContact CD1-CD1 3.79Å; F92-I120 HydrophobicContact CD2-CD1 4.15Å; F92-I120 HydrophobicContact CE1-CD1 3.87Å; F92-I120 HydrophobicContact CE2-CD1 4.23Å; F92-I120 HydrophobicContact CG-CD1 3.94Å; F92-I120 HydrophobicContact CZ-CD1 4.09Å; F92-F157 HydrophobicContact CE1-CE2 4.27Å; F92-F157 AromaticContact CE1-CZ 3.76Å; F92-F157 HydrophobicContact CE1-CZ 3.76Å; F92-F157 HydrophobicContact CE2-CE2 4.4Å; F92-F157 HydrophobicContact CZ-CE1 4.42Å; F92-F157 AromaticContact CZ-CE2 3.59Å; F92-F157 HydrophobicContact CZ-CE2 3.59Å; F92-F157 AromaticContact CZ-CZ 3.45Å; F92-F157 HydrophobicContact CZ-CZ 3.45Å; F92-F157 VanDerWaalsContact CZ-CZ 3.45Å; F92-F159 HydrophobicContact CD2-CE1 4.39Å; F92-F159 HydrophobicContact CD2-CZ 4.15Å; F92-F159 AromaticContact CE2-CE1 3.54Å; F92-F159 HydrophobicContact CE2-CE1 3.54Å; F92-F159 AromaticContact CE2-CZ 3.74Å; F92-F159 HydrophobicContact CE2-CZ 3.74Å; F92-F159 HydrophobicContact CZ-CE1 4.12Å
93	K	97.6	Very high	85.2	Confident	155 Å²	155	89.6 Å²	89.6	67%	0.674	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.5	159	-174.5	173.6	-177.4	177	0	109.3	A109 K110 L112	K93-A109 WeakPolarHBondContact O-CA 3.2Å; K93-K110 PolarHBondContact N-O 2.88Å; K93-K110 PolarHBondContact O-N 3.05Å; K93-L112 HydrophobicContact CB-CD2 3.95Å
94	F	96.3	Very high	87	Confident	71 Å²	71	82 Å²	82	31%	0.311	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147.3	170	-64.7	-87.4	0	0	0	110.9	P89 F92 V107 A109 I120 I122 Y166	P89-F94 HydrophobicContact CB-CE2 4.36Å; F92-F94 HydrophobicContact CB-CD2 4.48Å; F92-F94 HydrophobicContact CB-CE2 4.11Å; F92-F94 HydrophobicContact CB-CZ 4.34Å; F94-V107 HydrophobicContact CB-CG1 4.19Å; F94-V107 HydrophobicContact CD1-CB 4.2Å; F94-V107 HydrophobicContact CD1-CG1 3.99Å; F94-A109 HydrophobicContact CD1-CB 3.98Å; F94-A109 HydrophobicContact CE1-CB 4.18Å; F94-I120 HydrophobicContact CE1-CB 4.35Å; F94-I120 HydrophobicContact CE1-CD1 4.05Å; F94-I120 HydrophobicContact CE1-CG2 4.31Å; F94-I120 HydrophobicContact CZ-CD1 4.39Å; F94-I122 HydrophobicContact CD1-CD1 4.5Å; F94-I122 HydrophobicContact CE1-CD1 4.05Å; F94-Y166 HydrophobicContact CZ-CE1 4.23Å
95	G	93.3	Very high	88.4	Confident	50 Å²	50	78.8 Å²	78.8	52%	0.515	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	-137.1	-179	0	0	0	0	0	111.7	V107 L108	G95-V107 WeakPolarHBondContact O-CG1 3.24Å; G95-L108 PolarHBondContact N-O 3.22Å
96	K	91.4	Very high	89	Confident	123 Å²	123	73.7 Å²	73.7	54%	0.535	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	145.2	-179	64.5	175.4	179.6	171.8	0	112.4	L98 L108 Y171	K96-L98 HydrophobicContact CD-CD2 4.29Å; K96-L98 HydrophobicContact CG-CD2 4.21Å; K96-L108 HydrophobicContact CG-CB 4.07Å; K96-L108 HydrophobicContact CG-CD2 4.12Å; K96-L108 PolarHBondContact O-N 3.15Å; K96-Y171 WeakPolarHBondContact CE-OH 3.45Å; K96-Y171 PolarHBondContact NZ-OH 3.39Å
97	I	92.4	Very high	89.5	Confident	93 Å²	93	65.2 Å²	65.2	48%	0.477	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.4	163	-61.5	175.9	0	0	0	107.9	E100 T105 V107	I97-E100 HydrophobicContact CG2-CG 3.84Å; I97-T105 HydrophobicContact CD1-CG2 4.18Å; I97-T105 HydrophobicContact CG1-CG2 4.18Å; I97-T105 HydrophobicContact CG2-CG2 3.9Å; I97-V107 HydrophobicContact CG1-CG2 4.48Å
98	L	87.8	Confident	89.7	Confident	63 Å²	63	63.5 Å²	63.5	33%	0.33	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-26.6	178.3	-65.5	177.2	0	0	0	112.2	K96 V106 L108 A119 Y171	K96-L98 HydrophobicContact CD-CD2 4.29Å; K96-L98 HydrophobicContact CG-CD2 4.21Å; L98-V106 HydrophobicContact CB-CB 4.37Å; L98-V106 HydrophobicContact CB-CG1 4.13Å; L98-V106 HydrophobicContact CD1-CG1 4.33Å; L98-V106 PolarHBondContact N-O 3.39Å; L98-L108 HydrophobicContact CD1-CB 3.99Å; L98-L108 HydrophobicContact CD2-CB 4.15Å; L98-L108 HydrophobicContact CG-CB 4.02Å; L98-A119 HydrophobicContact CD1-CB 3.78Å; L98-Y171 HydrophobicContact CD1-CD2 3.74Å; L98-Y171 HydrophobicContact CD1-CE2 3.76Å; L98-Y171 HydrophobicContact CD2-CE2 3.72Å; L98-Y171 HydrophobicContact CG-CE2 4.42Å
99	G	81.8	Confident	89.8	Confident	31 Å²	31	59.4 Å²	59.4	32%	0.32	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	155.3	175.7	0	0	0	0	0	112.2	V106	G99-V106 PolarHBondContact N-O 3.38Å; G99-V106 PolarHBondContact O-N 3.29Å
100	E	77.9	Confident	90	Very high	142 Å²	142	62.6 Å²	62.6	66%	0.664	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.6	-179.3	-60.1	-166.2	143.7	0	0	110.5	I97 T105	I97-E100 HydrophobicContact CG2-CG 3.84Å; E100-T105 HydrophobicContact CG-CG2 4.34Å
101	G	71.4	Confident	90.1	Very high	42 Å²	42	57.7 Å²	57.7	43%	0.433	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	165.8	174	0	0	0	0	0	111.6	F103 S104	G101-F103 PolarHBondContact O-N 3.05Å; G101-S104 WeakPolarHBondContact CA-O 3.42Å; G101-S104 PolarHBondContact N-O 3.15Å; G101-S104 PolarHBondContact O-N 3.13Å; G101-S104 VanDerWaalsContact O-N 3.17Å
102	S	71.9	Confident	90.1	Very high	104 Å²	104	61.6 Å²	61.6	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.2	-171.1	55.1	0	0	0	0	116.7	H127	S102-H127 PolarHBondContact O-CE1 2.9Å
103	F	79.3	Confident	90	Very high	42 Å²	42	65.6 Å²	65.6	18%	0.184	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	18.2	175.4	57.2	-90.3	0	0	0	113.2	G101 L123 I128 V137	G101-F103 PolarHBondContact O-N 3.05Å; F103-L123 HydrophobicContact CD2-CD2 4.08Å; F103-L123 HydrophobicContact CE2-CD2 3.91Å; F103-I128 HydrophobicContact CD2-CG1 4.24Å; F103-V137 HydrophobicContact CE2-CG2 3.99Å
104	S	86.3	Confident	89.9	Confident	14 Å²	14	62.3 Å²	62.3	10%	0.098	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	137.4	-176.7	64.9	0	0	0	0	114.1	G101 K121 I122	G101-S104 WeakPolarHBondContact CA-O 3.42Å; G101-S104 PolarHBondContact N-O 3.15Å; G101-S104 PolarHBondContact O-N 3.13Å; G101-S104 VanDerWaalsContact O-N 3.17Å; S104-K121 VanDerWaalsContact OG-CE 3.28Å; S104-K121 WeakPolarHBondContact OG-CE 3.34Å; S104-I122 CarbonylContact C-O 3.55Å; S104-I122 WeakPolarHBondContact CA-O 3.36Å; S104-I122 WeakPolarHBondContact CB-O 3.36Å
105	T	91.5	Very high	89.8	Confident	48 Å²	48	60.5 Å²	60.5	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.9	173	-54.9	0	0	0	0	109.5	I97 E100 V107 I122	I97-T105 HydrophobicContact CD1-CG2 4.18Å; I97-T105 HydrophobicContact CG1-CG2 4.18Å; I97-T105 HydrophobicContact CG2-CG2 3.9Å; E100-T105 HydrophobicContact CG-CG2 4.34Å; T105-V107 HydrophobicContact CG2-CG2 3.84Å; T105-I122 PolarHBondContact N-O 3.39Å; T105-I122 PolarHBondContact O-N 2.92Å
106	V	93.9	Very high	89.9	Confident	33 Å²	33	62.3 Å²	62.3	20%	0.2	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125	173.4	-171.5	0	0	0	0	108.7	L98 G99 A119 I120 K121	L98-V106 HydrophobicContact CB-CB 4.37Å; L98-V106 HydrophobicContact CB-CG1 4.13Å; L98-V106 HydrophobicContact CD1-CG1 4.33Å; L98-V106 PolarHBondContact N-O 3.39Å; G99-V106 PolarHBondContact N-O 3.38Å; G99-V106 PolarHBondContact O-N 3.29Å; V106-A119 HydrophobicContact CG1-CB 3.98Å; V106-I120 WeakPolarHBondContact CA-O 3.46Å; V106-K121 HydrophobicContact CG2-CB 4.16Å; V106-K121 HydrophobicContact CG2-CG 4.06Å
107	V	95.8	Very high	90.2	Very high	13 Å²	13	59.8 Å²	59.8	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.3	-175.9	-169.3	0	0	0	0	110	F94 G95 I97 T105 A109 I120 I122	F94-V107 HydrophobicContact CB-CG1 4.19Å; F94-V107 HydrophobicContact CD1-CB 4.2Å; F94-V107 HydrophobicContact CD1-CG1 3.99Å; G95-V107 WeakPolarHBondContact O-CG1 3.24Å; I97-V107 HydrophobicContact CG1-CG2 4.48Å; T105-V107 HydrophobicContact CG2-CG2 3.84Å; V107-A109 PolarHBondContact O-N 2.87Å; V107-I120 PolarHBondContact N-O 3.32Å; V107-I120 PolarHBondContact O-N 2.93Å; V107-I122 HydrophobicContact CB-CD1 4.49Å; V107-I122 HydrophobicContact CG2-CD1 3.84Å
108	L	97.1	Very high	90.5	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.126	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126	169.2	176.9	57.5	0	0	0	108.9	G95 K96 L98 E117 Y171	G95-L108 PolarHBondContact N-O 3.22Å; K96-L108 HydrophobicContact CG-CB 4.07Å; K96-L108 HydrophobicContact CG-CD2 4.12Å; K96-L108 PolarHBondContact O-N 3.15Å; L98-L108 HydrophobicContact CD1-CB 3.99Å; L98-L108 HydrophobicContact CD2-CB 4.15Å; L98-L108 HydrophobicContact CG-CB 4.02Å; L108-E117 HydrophobicContact CD1-CB 4.26Å; L108-Y171 HydrophobicContact CD1-CD1 3.46Å; L108-Y171 VanDerWaalsContact CD1-CD1 3.46Å; L108-Y171 HydrophobicContact CD1-CD2 4.14Å; L108-Y171 HydrophobicContact CD1-CE1 3.46Å; L108-Y171 VanDerWaalsContact CD1-CE1 3.46Å; L108-Y171 HydrophobicContact CD1-CE2 4.16Å; L108-Y171 HydrophobicContact CD1-CG 3.82Å; L108-Y171 HydrophobicContact CD2-CE1 4Å; L108-Y171 HydrophobicContact CG-CE1 4.38Å
109	A	97.7	Very high	91	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.4	179.1	0	0	0	0	0	111.3	F92 K93 F94 V107 E117 Y118 I120	F92-A109 HydrophobicContact CB-CB 4.26Å; F92-A109 HydrophobicContact CD1-CB 4.19Å; F92-A109 HydrophobicContact CG-CB 4.49Å; K93-A109 WeakPolarHBondContact O-CA 3.2Å; F94-A109 HydrophobicContact CD1-CB 3.98Å; F94-A109 HydrophobicContact CE1-CB 4.18Å; V107-A109 PolarHBondContact O-N 2.87Å; A109-E117 WeakPolarHBondContact O-CA 3.3Å; A109-Y118 PolarHBondContact N-O 3.37Å; A109-Y118 PolarHBondContact O-N 3.15Å; A109-I120 HydrophobicContact CB-CB 4.45Å; A109-I120 HydrophobicContact CB-CD1 3.43Å; A109-I120 VanDerWaalsContact CB-CD1 3.43Å; A109-I120 HydrophobicContact CB-CG1 3.78Å
110	K	97.9	Very high	91.7	Very high	107 Å²	107	52 Å²	52	47%	0.465	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.5	173.8	-172.5	165.3	-179.7	156.5	0	109.3	F92 K93 L112 G115	F92-K110 WeakPolarHBondContact CA-O 3.32Å; K93-K110 PolarHBondContact N-O 2.88Å; K93-K110 PolarHBondContact O-N 3.05Å; K110-L112 PolarHBondContact O-N 2.83Å; K110-G115 WeakPolarHBondContact CE-O 3.41Å
111	E	97.5	Very high	92.5	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.5	176	174.2	171.6	-149.1	0	0	110	K87 F92 A113 T114 G115 K116 Y118	K87-E111 WeakPolarHBondContact CE-OE1 3.46Å; K87-E111 IonicContact NZ-OE1 3.34Å; K87-E111 PolarHBondContact NZ-OE1 3.3Å; F92-E111 HydrophobicContact CD1-CB 3.94Å; F92-E111 HydrophobicContact CE1-CB 3.84Å; F92-E111 HydrophobicContact CE1-CG 4.37Å; E111-A113 PolarHBondContact O-N 3.18Å; E111-T114 WeakPolarHBondContact CB-OG1 3.25Å; E111-T114 HydrophobicContact CG-CG2 4.18Å; E111-T114 VanDerWaalsContact CG-OG1 3.28Å; E111-T114 WeakPolarHBondContact CG-OG1 3.44Å; E111-T114 WeakPolarHBondContact OE2-CG2 3.26Å; E111-T114 PolarHBondContact OE2-OG1 3.14Å; E111-G115 VanDerWaalsContact O-CA 3.3Å; E111-G115 WeakPolarHBondContact O-CA 3.36Å; E111-G115 PolarHBondContact O-N 3.48Å; E111-K116 PolarHBondContact N-O 2.83Å; E111-Y118 HydrophobicContact CB-CD2 4.31Å; E111-Y118 HydrophobicContact CB-CE2 3.74Å; E111-Y118 WeakPolarHBondContact OE2-CE2 3.08Å; E111-Y118 PolarHBondContact OE2-OH 3.2Å
112	L	96.8	Very high	93.7	Very high	116 Å²	116	45.5 Å²	45.5	61%	0.607	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.6	-172.4	-65.3	176.7	0	0	0	112.5	D91 K93 K110	D91-L112 PolarHBondContact O-N 3.07Å; K93-L112 HydrophobicContact CB-CD2 3.95Å; K110-L112 PolarHBondContact O-N 2.83Å
113	A	95.1	Very high	94.7	Very high	97 Å²	97	40.5 Å²	40.5	80%	0.802	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.1	-175.5	0	0	0	0	0	114.3	E111	E111-A113 PolarHBondContact O-N 3.18Å
114	T	95.2	Very high	95.4	Very high	85 Å²	85	43.2 Å²	43.2	52%	0.521	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-17.2	-174.2	64.9	0	0	0	0	113.3	E111 K116	E111-T114 WeakPolarHBondContact CB-OG1 3.25Å; E111-T114 HydrophobicContact CG-CG2 4.18Å; E111-T114 VanDerWaalsContact CG-OG1 3.28Å; E111-T114 WeakPolarHBondContact CG-OG1 3.44Å; E111-T114 WeakPolarHBondContact OE2-CG2 3.26Å; E111-T114 PolarHBondContact OE2-OG1 3.14Å; T114-K116 PolarHBondContact O-N 2.79Å; T114-K116 WeakPolarHBondContact OG1-CB 3.5Å; T114-K116 PolarHBondContact OG1-N 2.88Å; T114-K116 VanDerWaalsContact OG1-N 3.11Å
115	G	94.2	Very high	95.7	Very high	34 Å²	34	44.9 Å²	44.9	35%	0.351	25%	0.249	S	C	.	.			trans	67.8	3.8	-168.6	0	0	0	0	0	114.5	K110 E111	K110-G115 WeakPolarHBondContact CE-O 3.41Å; E111-G115 VanDerWaalsContact O-CA 3.3Å; E111-G115 WeakPolarHBondContact O-CA 3.36Å; E111-G115 PolarHBondContact O-N 3.48Å
116	K	95.9	Very high	95.7	Very high	87 Å²	87	50.8 Å²	50.8	38%	0.378	27%	0.266	S	S	.	.			trans	-75.1	139.7	-178	-175.5	165.7	173.1	178.2	0	111.5	E111 T114 Y118 Y156	E111-K116 PolarHBondContact N-O 2.83Å; T114-K116 PolarHBondContact O-N 2.79Å; T114-K116 WeakPolarHBondContact OG1-CB 3.5Å; T114-K116 PolarHBondContact OG1-N 2.88Å; T114-K116 VanDerWaalsContact OG1-N 3.11Å; K116-Y118 HydrophobicContact CB-CE2 3.85Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CD-CE2 4.38Å; K116-Y118 HydrophobicContact CG-CE1 4.27Å; K116-Y118 HydrophobicContact CG-CE2 3.87Å; K116-Y118 WeakPolarHBondContact O-CD2 3.4Å; K116-Y118 WeakPolarHBondContact O-CE2 3.5Å; K116-Y156 PolarHBondContact NZ-OH 2.89Å
117	E	97.4	Very high	95.4	Very high	70 Å²	70	52.2 Å²	52.2	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.6	176.8	-58.8	-171	136.1	0	0	111.4	L108 A109 Y171 K173	L108-E117 HydrophobicContact CD1-CB 4.26Å; A109-E117 WeakPolarHBondContact O-CA 3.3Å; E117-Y171 HydrophobicContact CB-CD1 4.1Å; E117-K173 VanDerWaalsContact OE2-CE 3.31Å; E117-K173 WeakPolarHBondContact OE2-CE 3.45Å; E117-K173 IonicContact OE2-NZ 3.69Å
118	Y	97.8	Very high	95	Very high	16 Å²	16	51.9 Å²	51.9	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151	177.6	-56.7	-90.4	0	0	0	110	F92 A109 E111 K116 Y156 F157 L169	F92-Y118 HydrophobicContact CE1-CD2 4.04Å; F92-Y118 HydrophobicContact CE1-CE2 4.28Å; A109-Y118 PolarHBondContact N-O 3.37Å; A109-Y118 PolarHBondContact O-N 3.15Å; E111-Y118 HydrophobicContact CB-CD2 4.31Å; E111-Y118 HydrophobicContact CB-CE2 3.74Å; E111-Y118 WeakPolarHBondContact OE2-CE2 3.08Å; E111-Y118 PolarHBondContact OE2-OH 3.2Å; K116-Y118 HydrophobicContact CB-CE2 3.85Å; K116-Y118 HydrophobicContact CD-CE1 4.1Å; K116-Y118 HydrophobicContact CD-CE2 4.38Å; K116-Y118 HydrophobicContact CG-CE1 4.27Å; K116-Y118 HydrophobicContact CG-CE2 3.87Å; K116-Y118 WeakPolarHBondContact O-CD2 3.4Å; K116-Y118 WeakPolarHBondContact O-CE2 3.5Å; Y118-Y156 AromaticContact CD1-CD2 4Å; Y118-Y156 HydrophobicContact CD1-CD2 4Å; Y118-Y156 HydrophobicContact CD1-CG 4.5Å; Y118-Y156 AromaticContact CE1-CD2 3.98Å; Y118-Y156 HydrophobicContact CE1-CD2 3.98Å; Y118-Y156 HydrophobicContact CE1-CE2 4.49Å; Y118-Y156 HydrophobicContact CE1-CG 4.1Å; Y118-F157 AromaticContact CD1-CE1 3.9Å; Y118-F157 HydrophobicContact CD1-CE1 3.9Å; Y118-F157 HydrophobicContact CD1-CZ 4.04Å; Y118-F157 HydrophobicContact CD2-CE1 4.5Å; Y118-F157 HydrophobicContact CD2-CZ 4.24Å; Y118-F157 AromaticContact CE1-CE1 3.55Å; Y118-F157 HydrophobicContact CE1-CE1 3.55Å; Y118-F157 HydrophobicContact CE1-CZ 4.13Å; Y118-F157 HydrophobicContact CE2-CE1 4.2Å; Y118-F157 HydrophobicContact CE2-CZ 4.31Å; Y118-F157 HydrophobicContact CG-CE1 4.35Å; Y118-F157 HydrophobicContact CG-CZ 4.08Å; Y118-F157 AromaticContact CZ-CE1 3.69Å; Y118-L169 WeakPolarHBondContact CA-O 3.22Å
119	A	97.6	Very high	94.6	Very high	9 Å²	9	57 Å²	57	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.3	162.9	0	0	0	0	0	107.8	L98 V106 L169	L98-A119 HydrophobicContact CD1-CB 3.78Å; V106-A119 HydrophobicContact CG1-CB 3.98Å; A119-L169 HydrophobicContact CB-CB 4.37Å; A119-L169 PolarHBondContact N-O 2.91Å; A119-L169 WeakPolarHBondContact O-CA 3.45Å; A119-L169 WeakPolarHBondContact O-CB 3.3Å; A119-L169 PolarHBondContact O-N 3.2Å
120	I	97.3	Very high	94.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.9	179.5	-61.9	-174.2	0	0	0	109.2	F92 F94 V106 V107 A109 I122 Y166 F167	F92-I120 HydrophobicContact CD1-CD1 3.79Å; F92-I120 HydrophobicContact CD2-CD1 4.15Å; F92-I120 HydrophobicContact CE1-CD1 3.87Å; F92-I120 HydrophobicContact CE2-CD1 4.23Å; F92-I120 HydrophobicContact CG-CD1 3.94Å; F92-I120 HydrophobicContact CZ-CD1 4.09Å; F94-I120 HydrophobicContact CE1-CB 4.35Å; F94-I120 HydrophobicContact CE1-CD1 4.05Å; F94-I120 HydrophobicContact CE1-CG2 4.31Å; F94-I120 HydrophobicContact CZ-CD1 4.39Å; V106-I120 WeakPolarHBondContact CA-O 3.46Å; V107-I120 PolarHBondContact N-O 3.32Å; V107-I120 PolarHBondContact O-N 2.93Å; A109-I120 HydrophobicContact CB-CB 4.45Å; A109-I120 HydrophobicContact CB-CD1 3.43Å; A109-I120 VanDerWaalsContact CB-CD1 3.43Å; A109-I120 HydrophobicContact CB-CG1 3.78Å; I120-I122 HydrophobicContact CG2-CG1 3.99Å; I120-I122 PolarHBondContact O-N 3.37Å; I120-Y166 HydrophobicContact CG2-CD1 3.81Å; I120-F167 CarbonylContact C-O 3.57Å; I120-F167 WeakPolarHBondContact CA-O 3.5Å
121	K	95.4	Very high	93.5	Very high	17 Å²	17	62.9 Å²	62.9	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	111.8	170.8	-173.2	172.7	-176.3	179.1	0	108.1	S104 V106 L123 E140 F167 L169 D234	S104-K121 VanDerWaalsContact OG-CE 3.28Å; S104-K121 WeakPolarHBondContact OG-CE 3.34Å; V106-K121 HydrophobicContact CG2-CB 4.16Å; V106-K121 HydrophobicContact CG2-CG 4.06Å; K121-L123 HydrophobicContact CG-CD1 4.28Å; K121-L123 HydrophobicContact CG-CG 4.38Å; K121-E140 IonicContact NZ-OE1 3.73Å; K121-E140 PolarHBondContact NZ-OE1 3.44Å; K121-E140 IonicContact NZ-OE2 3.93Å; K121-E140 PolarHBondContact NZ-OE2 2.85Å; K121-F167 HydrophobicContact CB-CB 4.36Å; K121-F167 PolarHBondContact N-O 2.99Å; K121-F167 PolarHBondContact O-N 3.08Å; K121-L169 HydrophobicContact CB-CD1 4.19Å; K121-D234 IonicContact NZ-OD1 2.7Å
122	I	95.6	Very high	92.8	Very high	29 Å²	29	68.9 Å²	68.9	15%	0.149	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.5	-179.9	-49.5	177.5	0	0	0	107.9	F94 S104 T105 V107 I120 K164 L165 Y166	F94-I122 HydrophobicContact CD1-CD1 4.5Å; F94-I122 HydrophobicContact CE1-CD1 4.05Å; S104-I122 CarbonylContact C-O 3.55Å; S104-I122 WeakPolarHBondContact CA-O 3.36Å; S104-I122 WeakPolarHBondContact CB-O 3.36Å; T105-I122 PolarHBondContact N-O 3.39Å; T105-I122 PolarHBondContact O-N 2.92Å; V107-I122 HydrophobicContact CB-CD1 4.49Å; V107-I122 HydrophobicContact CG2-CD1 3.84Å; I120-I122 HydrophobicContact CG2-CG1 3.99Å; I120-I122 PolarHBondContact O-N 3.37Å; I122-K164 HydrophobicContact CG2-CB 4.13Å; I122-K164 HydrophobicContact CG2-CD 4.15Å; I122-K164 HydrophobicContact CG2-CG 4.02Å; I122-L165 CarbonylContact C-O 3.57Å; I122-L165 WeakPolarHBondContact CA-O 3.24Å; I122-Y166 HydrophobicContact CB-CD1 4.46Å; I122-Y166 HydrophobicContact CB-CE1 4.39Å; I122-Y166 HydrophobicContact CD1-CD1 4.35Å; I122-Y166 HydrophobicContact CD1-CE1 3.91Å; I122-Y166 HydrophobicContact CG1-CD1 3.83Å; I122-Y166 HydrophobicContact CG1-CE1 3.83Å; I122-Y166 HydrophobicContact CG2-CD1 4.21Å; I122-Y166 HydrophobicContact CG2-CE1 3.8Å
123	L	93.8	Very high	92.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	-178.9	-42.2	91.2	0	0	0	111	F103 K121 I128 V137 K164 L165 F167	F103-L123 HydrophobicContact CD2-CD2 4.08Å; F103-L123 HydrophobicContact CE2-CD2 3.91Å; K121-L123 HydrophobicContact CG-CD1 4.28Å; K121-L123 HydrophobicContact CG-CG 4.38Å; L123-I128 HydrophobicContact CB-CD1 3.49Å; L123-I128 VanDerWaalsContact CB-CD1 3.49Å; L123-I128 HydrophobicContact CB-CG1 4.42Å; L123-I128 HydrophobicContact CD2-CD1 4.47Å; L123-V137 HydrophobicContact CD2-CG1 4.11Å; L123-V137 HydrophobicContact CD2-CG2 4.05Å; L123-K164 CarbonylContact O-C 3.41Å; L123-K164 WeakPolarHBondContact O-CA 3.43Å; L123-L165 HydrophobicContact CB-CB 4.41Å; L123-L165 HydrophobicContact CD1-CB 4.12Å; L123-L165 PolarHBondContact N-O 3.04Å; L123-L165 PolarHBondContact O-N 2.84Å; L123-F167 HydrophobicContact CD1-CD1 4.38Å; L123-F167 HydrophobicContact CD1-CD2 4.41Å; L123-F167 HydrophobicContact CD1-CE1 4.41Å; L123-F167 HydrophobicContact CD1-CE2 4.44Å; L123-F167 HydrophobicContact CD1-CG 4.39Å; L123-F167 HydrophobicContact CD1-CZ 4.44Å
124	E	93.2	Very high	91.8	Very high	99 Å²	99	64.9 Å²	64.9	46%	0.463	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.4	-176.3	-63.3	-165.7	153.2	0	0	112.7	R126 H127 I128 K164	E124-R126 PolarHBondContact O-N 2.68Å; E124-H127 HydrophobicContact CB-CB 4.02Å; E124-H127 PolarHBondContact O-N 2.83Å; E124-H127 VanDerWaalsContact O-N 3.16Å; E124-I128 WeakPolarHBondContact O-CD1 3.38Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.24Å; E124-I128 PolarHBondContact O-N 3.49Å; E124-K164 HydrophobicContact CG-CG 4.32Å
125	K	93.5	Very high	91.2	Very high	48 Å²	48	66.6 Å²	66.6	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-44.8	-177.9	-68.3	173.9	170.5	-174.3	0	112.5	H127 I128 M129 Q160 D161 D162 E163 L165	K125-H127 VanDerWaalsContact C-N 3.31Å; K125-H127 PolarHBondContact O-N 3.35Å; K125-I128 PolarHBondContact O-N 3.4Å; K125-M129 WeakPolarHBondContact O-CB 3.27Å; K125-M129 VanDerWaalsContact O-CG 3.28Å; K125-M129 WeakPolarHBondContact O-CG 3.48Å; K125-M129 PolarHBondContact O-N 3.36Å; K125-Q160 VanDerWaalsContact CE-OE1 3.26Å; K125-D161 WeakPolarHBondContact CE-O 3.36Å; K125-D161 PolarHBondContact NZ-O 3.16Å; K125-D162 WeakPolarHBondContact CD-O 3.27Å; K125-E163 VanDerWaalsContact CB-O 3.27Å; K125-E163 WeakPolarHBondContact CB-O 3.38Å; K125-E163 WeakPolarHBondContact CG-O 3.43Å; K125-E163 PolarHBondContact N-O 2.84Å; K125-L165 HydrophobicContact CG-CD2 4.25Å; K125-L165 HydrophobicContact CG-CG 4.11Å
126	R	90.7	Very high	90.6	Very high	173 Å²	173	68.4 Å²	68.4	65%	0.653	32%	0.315	S	S	*	.	H	α-helix	trans	-58.1	-43.3	178.5	-65.2	-170.7	-174.1	110.7	7	111.3	E124 K130 E163	E124-R126 PolarHBondContact O-N 2.68Å; R126-K130 WeakPolarHBondContact O-CB 3.37Å; R126-K130 PolarHBondContact O-N 3.29Å; R126-E163 IonicContact CZ-OE1 3.43Å; R126-E163 VanDerWaalsContact CZ-OE1 3.22Å; R126-E163 IonicContact NH1-OE1 2.61Å; R126-E163 PolarHBondContact NH1-OE1 3.46Å; R126-E163 IonicContact NH2-OE1 2.74Å; R126-E163 PolarHBondContact NH2-OE1 3.46Å
127	H	87.3	Confident	90.2	Very high	62 Å²	62	64.6 Å²	64.6	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-70.5	-46.1	179.6	-162	178.8	0	0	0	111.7	S102 E124 K125 M129 K130 E131	S102-H127 PolarHBondContact O-CE1 2.9Å; E124-H127 HydrophobicContact CB-CB 4.02Å; E124-H127 PolarHBondContact O-N 2.83Å; E124-H127 VanDerWaalsContact O-N 3.16Å; K125-H127 VanDerWaalsContact C-N 3.31Å; K125-H127 PolarHBondContact O-N 3.35Å; H127-M129 VanDerWaalsContact C-N 3.28Å; H127-M129 PolarHBondContact O-N 3.02Å; H127-K130 PolarHBondContact O-N 3.05Å; H127-E131 PolarHBondContact O-N 3.17Å
128	I	88	Confident	89.7	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-56.9	-40.6	175.9	-67.9	160.8	0	0	0	111.8	F103 L123 E124 K125 N132 K133 V134 V137 L165	F103-I128 HydrophobicContact CD2-CG1 4.24Å; L123-I128 HydrophobicContact CB-CD1 3.49Å; L123-I128 VanDerWaalsContact CB-CD1 3.49Å; L123-I128 HydrophobicContact CB-CG1 4.42Å; L123-I128 HydrophobicContact CD2-CD1 4.47Å; E124-I128 WeakPolarHBondContact O-CD1 3.38Å; E124-I128 VanDerWaalsContact O-CG1 3.27Å; E124-I128 WeakPolarHBondContact O-CG1 3.24Å; E124-I128 PolarHBondContact O-N 3.49Å; K125-I128 PolarHBondContact O-N 3.4Å; I128-N132 PolarHBondContact O-N 3.09Å; I128-K133 HydrophobicContact CG2-CB 4.2Å; I128-K133 PolarHBondContact O-N 3.36Å; I128-V134 HydrophobicContact CG2-CB 4.42Å; I128-V134 HydrophobicContact CG2-CG2 3.94Å; I128-V137 HydrophobicContact CD1-CG2 4.11Å; I128-V137 HydrophobicContact CG1-CG2 4.17Å; I128-V137 HydrophobicContact CG2-CG2 4.06Å; I128-L165 HydrophobicContact CD1-CD1 3.92Å
129	M	89.3	Confident	89	Confident	131 Å²	131	69.7 Å²	69.7	65%	0.645	32%	0.318	S	S	*	.	H	α-helix	trans	-69.6	-49.6	177.5	-72.3	174.4	67.1	0	0	111.7	K125 H127 E131 N132 V134	K125-M129 WeakPolarHBondContact O-CB 3.27Å; K125-M129 VanDerWaalsContact O-CG 3.28Å; K125-M129 WeakPolarHBondContact O-CG 3.48Å; K125-M129 PolarHBondContact O-N 3.36Å; H127-M129 VanDerWaalsContact C-N 3.28Å; H127-M129 PolarHBondContact O-N 3.02Å; M129-E131 VanDerWaalsContact C-N 3.32Å; M129-E131 PolarHBondContact O-N 3.06Å; M129-N132 PolarHBondContact O-N 3.43Å; M129-N132 VanDerWaalsContact O-N 3.09Å; M129-V134 HydrophobicContact CG-CG2 4.29Å
130	K	88.8	Confident	88.4	Confident	151 Å²	151	69.5 Å²	69.5	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-55.7	-44.9	179.6	-177.7	-168.8	168.6	-121.8	0	112.5	R126 H127 N132	R126-K130 WeakPolarHBondContact O-CB 3.37Å; R126-K130 PolarHBondContact O-N 3.29Å; H127-K130 PolarHBondContact O-N 3.05Å; K130-N132 VanDerWaalsContact C-N 3.26Å; K130-N132 PolarHBondContact O-N 2.97Å; K130-N132 PolarHBondContact O-ND2 3.01Å
131	E	82.5	Confident	88	Confident	81 Å²	81	74 Å²	74	38%	0.379	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12.7	-177.8	-56.4	-59.9	143.3	0	0	112.9	H127 M129 K133	H127-E131 PolarHBondContact O-N 3.17Å; M129-E131 VanDerWaalsContact C-N 3.32Å; M129-E131 PolarHBondContact O-N 3.06Å; E131-K133 HydrophobicContact CB-CG 3.88Å; E131-K133 WeakPolarHBondContact O-CD 3.15Å; E131-K133 WeakPolarHBondContact O-CE 3.28Å; E131-K133 WeakPolarHBondContact O-CG 3.4Å; E131-K133 PolarHBondContact O-N 3.34Å; E131-K133 VanDerWaalsContact O-N 3.15Å
132	N	84.1	Confident	87.6	Confident	135 Å²	135	76.4 Å²	76.4	72%	0.722	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	29.4	179.4	-67.4	-81	0	0	0	114.8	I128 M129 K130 V134	I128-N132 PolarHBondContact O-N 3.09Å; M129-N132 PolarHBondContact O-N 3.43Å; M129-N132 VanDerWaalsContact O-N 3.09Å; K130-N132 VanDerWaalsContact C-N 3.26Å; K130-N132 PolarHBondContact O-N 2.97Å; K130-N132 PolarHBondContact O-ND2 3.01Å; N132-V134 PolarHBondContact O-N 2.71Å
133	K	82.6	Confident	87.1	Confident	71 Å²	71	75.3 Å²	75.3	31%	0.309	34%	0.341	S	S	.	.			trans	-85.3	-1.5	-174.1	-56.4	-58.3	179.8	177.2	0	114.8	I128 E131 Q135 Y136 V137	I128-K133 HydrophobicContact CG2-CB 4.2Å; I128-K133 PolarHBondContact O-N 3.36Å; E131-K133 HydrophobicContact CB-CG 3.88Å; E131-K133 WeakPolarHBondContact O-CD 3.15Å; E131-K133 WeakPolarHBondContact O-CE 3.28Å; E131-K133 WeakPolarHBondContact O-CG 3.4Å; E131-K133 PolarHBondContact O-N 3.34Å; E131-K133 VanDerWaalsContact O-N 3.15Å; K133-Q135 PolarHBondContact O-N 3.27Å; K133-Q135 VanDerWaalsContact O-N 3.07Å; K133-Y136 HydrophobicContact CD-CD2 4.28Å; K133-Y136 WeakPolarHBondContact O-CA 3.45Å; K133-Y136 WeakPolarHBondContact O-CB 3.48Å; K133-Y136 PolarHBondContact O-N 3.48Å; K133-V137 PolarHBondContact O-N 3.43Å
134	V	87.7	Confident	86.8	Confident	58 Å²	58	75.5 Å²	75.5	35%	0.352	34%	0.342	S	S	.	.	H	α-helix	trans	-48	-42.6	-174.5	179.6	0	0	0	0	113.1	I128 M129 N132 K138	I128-V134 HydrophobicContact CG2-CB 4.42Å; I128-V134 HydrophobicContact CG2-CG2 3.94Å; M129-V134 HydrophobicContact CG-CG2 4.29Å; N132-V134 PolarHBondContact O-N 2.71Å; V134-K138 WeakPolarHBondContact O-CG 3.38Å; V134-K138 PolarHBondContact O-N 2.87Å; V134-K138 VanDerWaalsContact O-N 3.15Å
135	Q	83.5	Confident	86.5	Confident	121 Å²	121	74.2 Å²	74.2	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-74.5	-24.7	-179	-58.2	-64.8	9.5	0	0	113.7	K133 R139	K133-Q135 PolarHBondContact O-N 3.27Å; K133-Q135 VanDerWaalsContact O-N 3.07Å; Q135-R139 WeakPolarHBondContact O-CB 3.41Å; Q135-R139 PolarHBondContact O-N 2.63Å; Q135-R139 VanDerWaalsContact O-N 3.13Å
136	Y	80.6	Confident	86.2	Confident	71 Å²	71	77 Å²	77	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-72.7	-47	174	-66.8	-94.4	0	0	0	110.2	K133 K138 R139 E140 G236	K133-Y136 HydrophobicContact CD-CD2 4.28Å; K133-Y136 WeakPolarHBondContact O-CA 3.45Å; K133-Y136 WeakPolarHBondContact O-CB 3.48Å; K133-Y136 PolarHBondContact O-N 3.48Å; Y136-K138 VanDerWaalsContact C-N 3.32Å; Y136-K138 PolarHBondContact O-N 3.22Å; Y136-R139 PolarHBondContact O-N 3.44Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; Y136-E140 WeakPolarHBondContact O-CB 3.46Å; Y136-E140 PolarHBondContact O-N 2.89Å; Y136-G236 WeakPolarHBondContact CD1-O 3.47Å
137	V	87.6	Confident	86.1	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-36	178.7	-178.7	0	0	0	0	112.1	F103 L123 I128 K133 R141 L165 F167	F103-V137 HydrophobicContact CE2-CG2 3.99Å; L123-V137 HydrophobicContact CD2-CG1 4.11Å; L123-V137 HydrophobicContact CD2-CG2 4.05Å; I128-V137 HydrophobicContact CD1-CG2 4.11Å; I128-V137 HydrophobicContact CG1-CG2 4.17Å; I128-V137 HydrophobicContact CG2-CG2 4.06Å; K133-V137 PolarHBondContact O-N 3.43Å; V137-R141 PolarHBondContact O-N 2.94Å; V137-L165 HydrophobicContact CG1-CD1 3.87Å; V137-F167 HydrophobicContact CG1-CE2 4.4Å; V137-F167 HydrophobicContact CG1-CZ 3.7Å
138	K	87.3	Confident	86.3	Confident	105 Å²	105	71.2 Å²	71.2	46%	0.457	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-51.8	170.1	-75.2	-179	177.7	-175.7	0	111.7	V134 Y136 E140 R141 D142	V134-K138 WeakPolarHBondContact O-CG 3.38Å; V134-K138 PolarHBondContact O-N 2.87Å; V134-K138 VanDerWaalsContact O-N 3.15Å; Y136-K138 VanDerWaalsContact C-N 3.32Å; Y136-K138 PolarHBondContact O-N 3.22Å; K138-E140 VanDerWaalsContact C-N 3.33Å; K138-E140 PolarHBondContact O-N 2.85Å; K138-R141 WeakPolarHBondContact O-CB 3.38Å; K138-R141 PolarHBondContact O-N 2.88Å; K138-D142 WeakPolarHBondContact O-CB 3.45Å; K138-D142 PolarHBondContact O-N 2.83Å; K138-D142 VanDerWaalsContact O-OD2 3.04Å
139	R	82.1	Confident	86.6	Confident	89 Å²	89	73.1 Å²	73.1	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-58.5	-42.9	179.1	-170.4	-171.9	-54.7	108.1	5.8	112.1	Q135 Y136 D142 L143 A238	Q135-R139 WeakPolarHBondContact O-CB 3.41Å; Q135-R139 PolarHBondContact O-N 2.63Å; Q135-R139 VanDerWaalsContact O-N 3.13Å; Y136-R139 PolarHBondContact O-N 3.44Å; Y136-R139 VanDerWaalsContact O-N 3.15Å; R139-D142 PolarHBondContact O-N 3.44Å; R139-L143 WeakPolarHBondContact O-CB 3.32Å; R139-L143 PolarHBondContact O-N 2.95Å; R139-A238 WeakPolarHBondContact CD-O 3.44Å
140	E	85.1	Confident	86.9	Confident	4 Å²	4	70 Å²	70	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-52	177.8	-172.9	-173.9	164.8	0	0	110.9	K121 Y136 K138 D142 M144 F167 F235	K121-E140 IonicContact NZ-OE1 3.73Å; K121-E140 PolarHBondContact NZ-OE1 3.44Å; K121-E140 IonicContact NZ-OE2 3.93Å; K121-E140 PolarHBondContact NZ-OE2 2.85Å; Y136-E140 WeakPolarHBondContact O-CB 3.46Å; Y136-E140 PolarHBondContact O-N 2.89Å; K138-E140 VanDerWaalsContact C-N 3.33Å; K138-E140 PolarHBondContact O-N 2.85Å; E140-D142 PolarHBondContact O-N 3.36Å; E140-M144 HydrophobicContact CG-SD 4.13Å; E140-M144 WeakPolarHBondContact O-CB 3.48Å; E140-M144 VanDerWaalsContact O-CG 3.28Å; E140-M144 WeakPolarHBondContact O-CG 3.45Å; E140-M144 PolarHBondContact O-N 3.24Å; E140-F167 HydrophobicContact CG-CE2 4.44Å; E140-F235 HydrophobicContact CG-CB 4.41Å
141	R	89.7	Confident	87.2	Confident	95 Å²	95	63 Å²	63	36%	0.358	31%	0.313	S	S	.	.	H	α-helix	trans	-54.8	-53.5	173.6	178.8	-159.8	69.5	179.1	-3.6	111.2	V137 K138 L143 M144 S145 L155 T158 F167	V137-R141 PolarHBondContact O-N 2.94Å; K138-R141 WeakPolarHBondContact O-CB 3.38Å; K138-R141 PolarHBondContact O-N 2.88Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-L143 PolarHBondContact O-N 2.86Å; R141-M144 PolarHBondContact O-N 3.49Å; R141-S145 WeakPolarHBondContact O-CB 3.37Å; R141-S145 PolarHBondContact O-N 3.18Å; R141-S145 PolarHBondContact O-OG 3.44Å; R141-L155 HydrophobicContact CG-CD2 4.24Å; R141-T158 HydrophobicContact CG-CG2 4.11Å; R141-F167 HydrophobicContact CB-CE1 4.42Å; R141-F167 HydrophobicContact CB-CE2 4.27Å; R141-F167 HydrophobicContact CB-CZ 3.86Å
142	D	86.8	Confident	87.8	Confident	67 Å²	67	59.5 Å²	59.5	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-34.9	-171.4	-66.8	-30.2	0	0	0	112.2	K138 R139 E140 N146	K138-D142 WeakPolarHBondContact O-CB 3.45Å; K138-D142 PolarHBondContact O-N 2.83Å; K138-D142 VanDerWaalsContact O-OD2 3.04Å; R139-D142 PolarHBondContact O-N 3.44Å; E140-D142 PolarHBondContact O-N 3.36Å; D142-N146 PolarHBondContact O-ND2 2.93Å
143	L	85.1	Confident	88.4	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-53.3	172.8	-165.7	166.9	0	0	0	110.5	R139 R141 S145 N146 L147 I211 F235 A238	R139-L143 WeakPolarHBondContact O-CB 3.32Å; R139-L143 PolarHBondContact O-N 2.95Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-L143 PolarHBondContact O-N 2.86Å; L143-S145 PolarHBondContact O-N 3.04Å; L143-N146 CarbonylContact O-C 3.56Å; L143-N146 WeakPolarHBondContact O-CA 3.35Å; L143-N146 PolarHBondContact O-N 2.83Å; L143-L147 HydrophobicContact CD2-CD1 3.7Å; L143-L147 HydrophobicContact CD2-CD2 4.16Å; L143-L147 HydrophobicContact CD2-CG 3.89Å; L143-L147 PolarHBondContact O-N 3.38Å; L143-I211 HydrophobicContact CD1-CG2 3.87Å; L143-I211 HydrophobicContact CD2-CD1 4.14Å; L143-I211 HydrophobicContact CD2-CG2 4.44Å; L143-I211 HydrophobicContact CG-CD1 4.02Å; L143-I211 HydrophobicContact CG-CG2 4.36Å; L143-F235 HydrophobicContact CD1-CB 4.28Å; L143-F235 HydrophobicContact CD1-CD1 4.24Å; L143-F235 HydrophobicContact CD2-CB 4.09Å; L143-F235 HydrophobicContact CD2-CD1 3.45Å; L143-F235 VanDerWaalsContact CD2-CD1 3.45Å; L143-F235 HydrophobicContact CD2-CE1 4Å; L143-F235 HydrophobicContact CD2-CG 3.74Å; L143-F235 HydrophobicContact CG-CD1 4.5Å; L143-A238 HydrophobicContact CD1-CB 3.71Å
144	M	87.3	Confident	88.9	Confident	4 Å²	4	54 Å²	54	2%	0.02	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-26.6	179.5	-68.4	-175.5	80.9	0	0	113.5	E140 R141 N146 L147 V153 L155 L169 F235	E140-M144 HydrophobicContact CG-SD 4.13Å; E140-M144 WeakPolarHBondContact O-CB 3.48Å; E140-M144 VanDerWaalsContact O-CG 3.28Å; E140-M144 WeakPolarHBondContact O-CG 3.45Å; E140-M144 PolarHBondContact O-N 3.24Å; R141-M144 PolarHBondContact O-N 3.49Å; M144-N146 PolarHBondContact O-N 2.94Å; M144-L147 PolarHBondContact O-N 2.79Å; M144-V153 HydrophobicContact CE-CB 4.33Å; M144-V153 HydrophobicContact CE-CG1 4.06Å; M144-V153 VanDerWaalsContact CE-O 3.24Å; M144-V153 WeakPolarHBondContact CE-O 3.24Å; M144-L155 HydrophobicContact CB-CB 3.97Å; M144-L155 HydrophobicContact CB-CD2 4.03Å; M144-L169 HydrophobicContact CE-CD1 4.41Å; M144-L169 HydrophobicContact CE-CD2 3.7Å; M144-L169 HydrophobicContact SD-CD2 4.47Å; M144-F235 HydrophobicContact CE-CD2 4.39Å; M144-F235 HydrophobicContact CG-CB 4.25Å; M144-F235 HydrophobicContact CG-CD2 3.63Å; M144-F235 HydrophobicContact CG-CE2 4.43Å; M144-F235 HydrophobicContact CG-CG 4.21Å; M144-F235 HydrophobicContact SD-CD2 4.15Å
145	S	88.1	Confident	89.3	Confident	72 Å²	72	52.3 Å²	52.3	50%	0.503	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.9	174.9	-55.3	0	0	0	0	112.8	R141 L143	R141-S145 WeakPolarHBondContact O-CB 3.37Å; R141-S145 PolarHBondContact O-N 3.18Å; R141-S145 PolarHBondContact O-OG 3.44Å; L143-S145 PolarHBondContact O-N 3.04Å
146	N	86.6	Confident	89.8	Confident	106 Å²	106	51.6 Å²	51.6	57%	0.567	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	1.3	178.4	-77.4	-72.3	0	0	0	113.2	D142 L143 M144 K209	D142-N146 PolarHBondContact O-ND2 2.93Å; L143-N146 CarbonylContact O-C 3.56Å; L143-N146 WeakPolarHBondContact O-CA 3.35Å; L143-N146 PolarHBondContact O-N 2.83Å; M144-N146 PolarHBondContact O-N 2.94Å; N146-K209 PolarHBondContact O-NZ 3.04Å
147	L	89.1	Confident	90.5	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	24%	0.241	C	C	.	.			trans	-92.3	121.5	171	-60.8	-177.8	0	0	0	110.1	L143 M144 F152 Y205 L206 I211 F235	L143-L147 HydrophobicContact CD2-CD1 3.7Å; L143-L147 HydrophobicContact CD2-CD2 4.16Å; L143-L147 HydrophobicContact CD2-CG 3.89Å; L143-L147 PolarHBondContact O-N 3.38Å; M144-L147 PolarHBondContact O-N 2.79Å; L147-F152 HydrophobicContact CD1-CB 4.5Å; L147-F152 HydrophobicContact CD1-CD1 4.32Å; L147-F152 HydrophobicContact CD1-CG 4.26Å; L147-Y205 HydrophobicContact CD2-CE1 3.97Å; L147-L206 HydrophobicContact CD1-CD1 4.49Å; L147-L206 HydrophobicContact CD2-CD1 3.67Å; L147-I211 HydrophobicContact CD2-CD1 4.21Å; L147-F235 HydrophobicContact CD1-CD1 4.28Å; L147-F235 HydrophobicContact CD1-CD2 4.19Å; L147-F235 HydrophobicContact CD1-CE1 3.68Å; L147-F235 HydrophobicContact CD1-CE2 3.58Å; L147-F235 HydrophobicContact CD1-CZ 3.3Å
148	D	91.4	Very high	90.9	Very high	105 Å²	105	52.6 Å²	52.6	56%	0.561	26%	0.259	S	S	*	.			trans	-140.3	91.9	170.8	-162.5	22.4	0	0	0	109.3	K154 Y205	D148-K154 IonicContact OD1-NZ 2.67Å; D148-K154 PolarHBondContact OD1-NZ 2.88Å; D148-K154 IonicContact OD2-NZ 3.21Å; D148-Y205 VanDerWaalsContact C-OH 3.24Å; D148-Y205 PolarHBondContact N-OH 2.77Å; D148-Y205 WeakPolarHBondContact O-CE2 3.42Å; D148-Y205 PolarHBondContact O-OH 2.91Å
149	H	93.9	Very high	91.3	Very high	47 Å²	47	48.5 Å²	48.5	22%	0.218	24%	0.241	C	C	.	.	S	Bend	trans	-166.3	139.8	-176.3	175.2	-92	0	0	0	107.7	F151 F152 Y205	H149-F151 VanDerWaalsContact C-N 3.34Å; H149-F151 AromaticContact CE1-CD2 3.61Å; H149-F151 AromaticContact CE1-CG 3.99Å; H149-F151 PolarHBondContact O-N 2.89Å; H149-F152 HydrophobicContact CB-CD2 3.95Å; H149-F152 HydrophobicContact CB-CE2 4.33Å; H149-F152 AromaticContact ND1-CD2 3.66Å; H149-F152 AromaticContact ND1-CE2 3.65Å; H149-F152 PolarHBondContact O-N 2.93Å; H149-Y205 HydrophobicContact CB-CD1 3.97Å; H149-Y205 HydrophobicContact CB-CD2 3.78Å; H149-Y205 HydrophobicContact CB-CE1 3.84Å; H149-Y205 HydrophobicContact CB-CE2 3.62Å; H149-Y205 HydrophobicContact CB-CG 3.93Å; H149-Y205 AromaticContact CD2-CD2 3.6Å; H149-Y205 AromaticContact CD2-CG 3.9Å; H149-Y205 AromaticContact CG-CD2 3.83Å; H149-Y205 AromaticContact CG-CG 3.85Å
150	P	94.7	Very high	92	Very high	65 Å²	65	50.3 Å²	50.3	42%	0.422	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-37.5	-165.9	20.3	-33.3	0	0	0	114.3	F152 H363	P150-F152 PolarHBondContact O-N 3.16Å; P150-H363 HydrophobicContact CB-CB 4.11Å; P150-H363 HydrophobicContact CG-CB 3.65Å
151	F	96.3	Very high	92.4	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	20.7	-174.9	-60.2	-28.3	0	0	0	115.6	H149 E198 C201 A202 H229 I230 I232 L362 H363	H149-F151 VanDerWaalsContact C-N 3.34Å; H149-F151 AromaticContact CE1-CD2 3.61Å; H149-F151 AromaticContact CE1-CG 3.99Å; H149-F151 PolarHBondContact O-N 2.89Å; F151-E198 HydrophobicContact CD2-CB 4.08Å; F151-E198 VanDerWaalsContact CD2-O 3.27Å; F151-E198 WeakPolarHBondContact CD2-O 3.36Å; F151-E198 HydrophobicContact CE1-CB 4.3Å; F151-E198 HydrophobicContact CE1-CG 4.06Å; F151-E198 WeakPolarHBondContact CE1-OE1 3.39Å; F151-E198 HydrophobicContact CE2-CB 3.83Å; F151-E198 HydrophobicContact CE2-CG 4.06Å; F151-E198 HydrophobicContact CG-CB 4.46Å; F151-E198 HydrophobicContact CZ-CB 3.95Å; F151-E198 HydrophobicContact CZ-CG 3.69Å; F151-E198 VanDerWaalsContact CZ-OE1 3.31Å; F151-E198 WeakPolarHBondContact CZ-OE1 3.42Å; F151-C201 HydrophobicContact CD2-CB 3.93Å; F151-C201 HydrophobicContact CE2-CB 3.75Å; F151-A202 HydrophobicContact CB-CB 3.91Å; F151-A202 HydrophobicContact CD2-CB 4.46Å; F151-H229 HydrophobicContact CE1-CB 4.37Å; F151-I230 WeakPolarHBondContact CA-O 3.13Å; F151-I230 HydrophobicContact CB-CD1 4.11Å; F151-I230 HydrophobicContact CB-CG1 3.76Å; F151-I230 HydrophobicContact CD1-CG1 3.98Å; F151-I230 HydrophobicContact CG-CD1 4.33Å; F151-I230 HydrophobicContact CG-CG1 3.9Å; F151-I232 PolarHBondContact O-N 2.81Å; F151-L362 HydrophobicContact CE2-CD2 4.38Å; F151-L362 HydrophobicContact CZ-CB 4.49Å; F151-L362 HydrophobicContact CZ-CD2 4.41Å; F151-L362 HydrophobicContact CZ-CG 4.28Å; F151-H363 HydrophobicContact CE1-CB 3.72Å; F151-H363 HydrophobicContact CZ-CB 3.74Å
152	F	95.3	Very high	92.7	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.026	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-130.9	149.9	-179.9	-67.8	-67.4	0	0	0	112.4	L147 H149 P150 K154 A202 Y205 L206 Q231 I232 F235	L147-F152 HydrophobicContact CD1-CB 4.5Å; L147-F152 HydrophobicContact CD1-CD1 4.32Å; L147-F152 HydrophobicContact CD1-CG 4.26Å; H149-F152 HydrophobicContact CB-CD2 3.95Å; H149-F152 HydrophobicContact CB-CE2 4.33Å; H149-F152 AromaticContact ND1-CD2 3.66Å; H149-F152 AromaticContact ND1-CE2 3.65Å; H149-F152 PolarHBondContact O-N 2.93Å; P150-F152 PolarHBondContact O-N 3.16Å; F152-K154 PolarHBondContact O-N 2.75Å; F152-A202 HydrophobicContact CE1-CB 4.28Å; F152-A202 HydrophobicContact CE2-CB 4.13Å; F152-A202 HydrophobicContact CZ-CB 3.75Å; F152-A202 VanDerWaalsContact CZ-O 3.3Å; F152-A202 WeakPolarHBondContact CZ-O 3.31Å; F152-Y205 HydrophobicContact CD2-CD1 4.45Å; F152-Y205 AromaticContact CE2-CD1 3.78Å; F152-Y205 HydrophobicContact CE2-CD1 3.78Å; F152-Y205 HydrophobicContact CE2-CE1 4.42Å; F152-Y205 HydrophobicContact CE2-CG 4.45Å; F152-L206 HydrophobicContact CZ-CB 4.23Å; F152-L206 HydrophobicContact CZ-CD1 4.32Å; F152-Q231 PolarHBondContact O-NE2 3.13Å; F152-I232 HydrophobicContact CD1-CB 3.73Å; F152-I232 HydrophobicContact CD1-CG2 4.35Å; F152-I232 HydrophobicContact CE1-CB 3.84Å; F152-I232 HydrophobicContact CE1-CD1 4.28Å; F152-I232 HydrophobicContact CE1-CG1 4.48Å; F152-I232 HydrophobicContact CE1-CG2 4.18Å; F152-F235 HydrophobicContact CD1-CE2 4.29Å; F152-F235 AromaticContact CD1-CZ 3.56Å; F152-F235 HydrophobicContact CD1-CZ 3.56Å; F152-F235 HydrophobicContact CE1-CE1 4.41Å; F152-F235 AromaticContact CE1-CZ 3.82Å; F152-F235 HydrophobicContact CE1-CZ 3.82Å; F152-F235 HydrophobicContact CG-CZ 4.49Å
153	V	94.9	Very high	93	Very high	5 Å²	5	56 Å²	56	3%	0.03	29%	0.289	C	S	.	.			trans	-68.1	112.8	171.5	172.7	0	0	0	0	109.8	M144 L169 S170 L223 Q231 I232	M144-V153 HydrophobicContact CE-CB 4.33Å; M144-V153 HydrophobicContact CE-CG1 4.06Å; M144-V153 VanDerWaalsContact CE-O 3.24Å; M144-V153 WeakPolarHBondContact CE-O 3.24Å; V153-L169 HydrophobicContact CG1-CB 3.68Å; V153-L169 HydrophobicContact CG1-CD1 4.01Å; V153-L169 HydrophobicContact CG1-CD2 4.43Å; V153-L169 HydrophobicContact CG1-CG 4.25Å; V153-S170 WeakPolarHBondContact CA-OG 3.43Å; V153-L223 HydrophobicContact CG2-CD1 4.23Å; V153-Q231 HydrophobicContact CG2-CB 3.77Å; V153-I232 PolarHBondContact N-O 3.4Å
154	K	94.6	Very high	93.5	Very high	85 Å²	85	58.4 Å²	58.4	37%	0.37	30%	0.299	S	S	.	.			trans	-82.6	127.4	-175	-170.6	158.6	-173.3	162.8	0	111.7	D148 F152 Y156 L169 S170	D148-K154 IonicContact OD1-NZ 2.67Å; D148-K154 PolarHBondContact OD1-NZ 2.88Å; D148-K154 IonicContact OD2-NZ 3.21Å; F152-K154 PolarHBondContact O-N 2.75Å; K154-Y156 HydrophobicContact CB-CE2 4.49Å; K154-L169 CarbonylContact O-C 3.59Å; K154-L169 WeakPolarHBondContact O-CA 3.33Å; K154-S170 PolarHBondContact N-OG 2.93Å; K154-S170 PolarHBondContact O-N 2.62Å
155	L	95.2	Very high	94	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.12	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.3	171.2	176	61	0	0	0	109.8	R141 M144 F157 T158 F167 L169	R141-L155 HydrophobicContact CG-CD2 4.24Å; M144-L155 HydrophobicContact CB-CB 3.97Å; M144-L155 HydrophobicContact CB-CD2 4.03Å; L155-F157 WeakPolarHBondContact CD1-O 3.49Å; L155-T158 HydrophobicContact CD1-CG2 3.94Å; L155-T158 HydrophobicContact CD2-CG2 4.17Å; L155-T158 HydrophobicContact CG-CG2 4.5Å; L155-F167 HydrophobicContact CD1-CB 3.95Å; L155-F167 HydrophobicContact CD1-CG 4.45Å; L155-L169 HydrophobicContact CB-CD2 4.13Å; L155-L169 HydrophobicContact CD1-CD2 3.67Å
156	Y	94.8	Very high	94.4	Very high	106 Å²	106	57.2 Å²	57.2	42%	0.416	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-35.8	-179.5	-73.5	-80.1	0	0	0	113.5	K116 Y118 K154 G168	K116-Y156 PolarHBondContact NZ-OH 2.89Å; Y118-Y156 AromaticContact CD1-CD2 4Å; Y118-Y156 HydrophobicContact CD1-CD2 4Å; Y118-Y156 HydrophobicContact CD1-CG 4.5Å; Y118-Y156 AromaticContact CE1-CD2 3.98Å; Y118-Y156 HydrophobicContact CE1-CD2 3.98Å; Y118-Y156 HydrophobicContact CE1-CE2 4.49Å; Y118-Y156 HydrophobicContact CE1-CG 4.1Å; K154-Y156 HydrophobicContact CB-CE2 4.49Å; Y156-G168 PolarHBondContact N-O 3.37Å
157	F	95.1	Very high	94.8	Very high	32 Å²	32	52.6 Å²	52.6	14%	0.14	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	159.7	-179.1	48.4	-100.1	0	0	0	111.8	K87 F92 Y118 L155 F159 G168	K87-F157 HydrophobicContact CD-CD1 3.88Å; K87-F157 HydrophobicContact CD-CD2 4.14Å; K87-F157 HydrophobicContact CD-CE1 3.84Å; K87-F157 HydrophobicContact CD-CE2 4.11Å; K87-F157 HydrophobicContact CD-CG 4.04Å; K87-F157 HydrophobicContact CD-CZ 3.98Å; F92-F157 HydrophobicContact CE1-CE2 4.27Å; F92-F157 AromaticContact CE1-CZ 3.76Å; F92-F157 HydrophobicContact CE1-CZ 3.76Å; F92-F157 HydrophobicContact CE2-CE2 4.4Å; F92-F157 HydrophobicContact CZ-CE1 4.42Å; F92-F157 AromaticContact CZ-CE2 3.59Å; F92-F157 HydrophobicContact CZ-CE2 3.59Å; F92-F157 AromaticContact CZ-CZ 3.45Å; F92-F157 HydrophobicContact CZ-CZ 3.45Å; F92-F157 VanDerWaalsContact CZ-CZ 3.45Å; Y118-F157 AromaticContact CD1-CE1 3.9Å; Y118-F157 HydrophobicContact CD1-CE1 3.9Å; Y118-F157 HydrophobicContact CD1-CZ 4.04Å; Y118-F157 HydrophobicContact CD2-CE1 4.5Å; Y118-F157 HydrophobicContact CD2-CZ 4.24Å; Y118-F157 AromaticContact CE1-CE1 3.55Å; Y118-F157 HydrophobicContact CE1-CE1 3.55Å; Y118-F157 HydrophobicContact CE1-CZ 4.13Å; Y118-F157 HydrophobicContact CE2-CE1 4.2Å; Y118-F157 HydrophobicContact CE2-CZ 4.31Å; Y118-F157 HydrophobicContact CG-CE1 4.35Å; Y118-F157 HydrophobicContact CG-CZ 4.08Å; Y118-F157 AromaticContact CZ-CE1 3.69Å; L155-F157 WeakPolarHBondContact CD1-O 3.49Å; F157-F159 HydrophobicContact CD2-CD1 4.01Å; F157-F159 HydrophobicContact CD2-CE1 4.11Å; F157-F159 HydrophobicContact CE2-CD1 4.27Å; F157-F159 AromaticContact CE2-CE1 3.89Å; F157-F159 HydrophobicContact CE2-CE1 3.89Å; F157-G168 VanDerWaalsContact CE2-CA 3.48Å; F157-G168 PolarHBondContact O-N 3.04Å
158	T	96	Very high	95.2	Very high	67 Å²	67	52.1 Å²	52.1	41%	0.411	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.6	166.8	62.1	0	0	0	0	111.3	R141 L155 Y166 F167	R141-T158 HydrophobicContact CG-CG2 4.11Å; L155-T158 HydrophobicContact CD1-CG2 3.94Å; L155-T158 HydrophobicContact CD2-CG2 4.17Å; L155-T158 HydrophobicContact CG-CG2 4.5Å; T158-Y166 CarbonylContact C-O 3.21Å; T158-Y166 VanDerWaalsContact CA-O 3.24Å; T158-Y166 WeakPolarHBondContact CA-O 3.39Å; T158-F167 HydrophobicContact CG2-CD1 3.48Å; T158-F167 VanDerWaalsContact CG2-CD1 3.48Å; T158-F167 HydrophobicContact CG2-CE1 3.92Å; T158-F167 HydrophobicContact CG2-CG 4.15Å
159	F	96	Very high	95.4	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.088	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	177.7	168.8	62.2	-93.3	0	0	0	111.4	K87 P89 F92 F157 Y166	K87-F159 HydrophobicContact CB-CD1 3.94Å; K87-F159 HydrophobicContact CB-CE1 4.21Å; K87-F159 WeakPolarHBondContact O-CB 3.41Å; K87-F159 WeakPolarHBondContact O-CG 3.28Å; P89-F159 HydrophobicContact CG-CE2 3.94Å; F92-F159 HydrophobicContact CD2-CE1 4.39Å; F92-F159 HydrophobicContact CD2-CZ 4.15Å; F92-F159 AromaticContact CE2-CE1 3.54Å; F92-F159 HydrophobicContact CE2-CE1 3.54Å; F92-F159 AromaticContact CE2-CZ 3.74Å; F92-F159 HydrophobicContact CE2-CZ 3.74Å; F92-F159 HydrophobicContact CZ-CE1 4.12Å; F157-F159 HydrophobicContact CD2-CD1 4.01Å; F157-F159 HydrophobicContact CD2-CE1 4.11Å; F157-F159 HydrophobicContact CE2-CD1 4.27Å; F157-F159 AromaticContact CE2-CE1 3.89Å; F157-F159 HydrophobicContact CE2-CE1 3.89Å; F159-Y166 AromaticContact CD2-CD2 3.66Å; F159-Y166 HydrophobicContact CD2-CD2 3.66Å; F159-Y166 HydrophobicContact CD2-CE2 4.49Å; F159-Y166 AromaticContact CD2-CG 3.75Å; F159-Y166 HydrophobicContact CD2-CG 3.75Å; F159-Y166 HydrophobicContact CE1-CG 4.47Å; F159-Y166 VanDerWaalsContact CE2-CB 3.42Å; F159-Y166 AromaticContact CE2-CD1 3.7Å; F159-Y166 HydrophobicContact CE2-CD1 3.7Å; F159-Y166 AromaticContact CE2-CD2 3.46Å; F159-Y166 HydrophobicContact CE2-CD2 3.46Å; F159-Y166 VanDerWaalsContact CE2-CD2 3.46Å; F159-Y166 HydrophobicContact CE2-CE1 4.31Å; F159-Y166 HydrophobicContact CE2-CE2 4.11Å; F159-Y166 AromaticContact CE2-CG 3.23Å; F159-Y166 HydrophobicContact CE2-CG 3.23Å; F159-Y166 AromaticContact CZ-CD1 3.85Å; F159-Y166 HydrophobicContact CZ-CD1 3.85Å; F159-Y166 HydrophobicContact CZ-CD2 4.34Å; F159-Y166 AromaticContact CZ-CG 3.67Å; F159-Y166 HydrophobicContact CZ-CG 3.67Å; F159-Y166 PolarHBondContact N-O 3.11Å; F159-Y166 PolarHBondContact O-N 3.19Å
160	Q	95.6	Very high	95.5	Very high	126 Å²	126	45.9 Å²	45.9	59%	0.589	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153	152.4	179	64.7	-175.7	-67.1	0	0	110.5	K125 K164 L165	K125-Q160 VanDerWaalsContact CE-OE1 3.26Å; Q160-K164 VanDerWaalsContact CA-O 3.3Å; Q160-K164 WeakPolarHBondContact CA-O 3.4Å; Q160-K164 VanDerWaalsContact CB-O 3.31Å; Q160-K164 WeakPolarHBondContact CB-O 3.32Å; Q160-L165 HydrophobicContact CB-CD2 3.7Å
161	D	94.4	Very high	95.6	Very high	52 Å²	52	44.8 Å²	44.8	28%	0.278	22%	0.215	S	C	.	.			trans	-111.2	-161.8	161.1	59.8	35.9	0	0	0	108.9	K125 E163 K164 Y166	K125-D161 WeakPolarHBondContact CE-O 3.36Å; K125-D161 PolarHBondContact NZ-O 3.16Å; D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 2.69Å; D161-E163 PolarHBondContact OD1-N 3.22Å; D161-K164 PolarHBondContact N-O 3.2Å; D161-K164 PolarHBondContact OD1-N 3.15Å; D161-Y166 WeakPolarHBondContact OD2-CE2 3.36Å; D161-Y166 PolarHBondContact OD2-OH 2.65Å
162	D	94.7	Very high	95.6	Very high	157 Å²	157	45 Å²	45	84%	0.84	22%	0.218	S	C	*	.	S	Bend	trans	-69.3	-27.4	-179	-62.7	-50.1	0	0	0	113.8	K125	K125-D162 WeakPolarHBondContact CD-O 3.27Å
163	E	94.4	Very high	95.5	Very high	78 Å²	78	48.4 Å²	48.4	36%	0.364	23%	0.233	S	C	.	.	S	Bend	trans	-106.9	-29.1	-173.3	-58.5	-156	133.2	0	0	114.1	K125 R126 D161	K125-E163 VanDerWaalsContact CB-O 3.27Å; K125-E163 WeakPolarHBondContact CB-O 3.38Å; K125-E163 WeakPolarHBondContact CG-O 3.43Å; K125-E163 PolarHBondContact N-O 2.84Å; R126-E163 IonicContact CZ-OE1 3.43Å; R126-E163 VanDerWaalsContact CZ-OE1 3.22Å; R126-E163 IonicContact NH1-OE1 2.61Å; R126-E163 PolarHBondContact NH1-OE1 3.46Å; R126-E163 IonicContact NH2-OE1 2.74Å; R126-E163 PolarHBondContact NH2-OE1 3.46Å; D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 2.69Å; D161-E163 PolarHBondContact OD1-N 3.22Å
164	K	96.1	Very high	95.5	Very high	55 Å²	55	50.2 Å²	50.2	24%	0.239	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.4	-164.2	-76.1	147.7	-175.4	149.8	0	113.3	I122 L123 E124 Q160 D161 Y166	I122-K164 HydrophobicContact CG2-CB 4.13Å; I122-K164 HydrophobicContact CG2-CD 4.15Å; I122-K164 HydrophobicContact CG2-CG 4.02Å; L123-K164 CarbonylContact O-C 3.41Å; L123-K164 WeakPolarHBondContact O-CA 3.43Å; E124-K164 HydrophobicContact CG-CG 4.32Å; Q160-K164 VanDerWaalsContact CA-O 3.3Å; Q160-K164 WeakPolarHBondContact CA-O 3.4Å; Q160-K164 VanDerWaalsContact CB-O 3.31Å; Q160-K164 WeakPolarHBondContact CB-O 3.32Å; D161-K164 PolarHBondContact N-O 3.2Å; D161-K164 PolarHBondContact OD1-N 3.15Å; K164-Y166 HydrophobicContact CB-CD2 4.26Å; K164-Y166 HydrophobicContact CB-CE2 3.46Å; K164-Y166 VanDerWaalsContact CB-CE2 3.46Å
165	L	95.9	Very high	95.4	Very high	35 Å²	35	47.2 Å²	47.2	18%	0.183	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.9	168	-56.8	178.6	0	0	0	108.5	I122 L123 K125 I128 V137 Q160	I122-L165 CarbonylContact C-O 3.57Å; I122-L165 WeakPolarHBondContact CA-O 3.24Å; L123-L165 HydrophobicContact CB-CB 4.41Å; L123-L165 HydrophobicContact CD1-CB 4.12Å; L123-L165 PolarHBondContact N-O 3.04Å; L123-L165 PolarHBondContact O-N 2.84Å; K125-L165 HydrophobicContact CG-CD2 4.25Å; K125-L165 HydrophobicContact CG-CG 4.11Å; I128-L165 HydrophobicContact CD1-CD1 3.92Å; V137-L165 HydrophobicContact CG1-CD1 3.87Å; Q160-L165 HydrophobicContact CB-CD2 3.7Å
166	Y	96.4	Very high	95.3	Very high	16 Å²	16	50 Å²	50	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.8	-175.6	-64.7	-98.8	0	0	0	109.9	P89 F94 I120 I122 T158 F159 D161 K164	P89-Y166 HydrophobicContact CG-CE1 4.43Å; P89-Y166 HydrophobicContact CG-CE2 4.11Å; F94-Y166 HydrophobicContact CZ-CE1 4.23Å; I120-Y166 HydrophobicContact CG2-CD1 3.81Å; I122-Y166 HydrophobicContact CB-CD1 4.46Å; I122-Y166 HydrophobicContact CB-CE1 4.39Å; I122-Y166 HydrophobicContact CD1-CD1 4.35Å; I122-Y166 HydrophobicContact CD1-CE1 3.91Å; I122-Y166 HydrophobicContact CG1-CD1 3.83Å; I122-Y166 HydrophobicContact CG1-CE1 3.83Å; I122-Y166 HydrophobicContact CG2-CD1 4.21Å; I122-Y166 HydrophobicContact CG2-CE1 3.8Å; T158-Y166 CarbonylContact C-O 3.21Å; T158-Y166 VanDerWaalsContact CA-O 3.24Å; T158-Y166 WeakPolarHBondContact CA-O 3.39Å; F159-Y166 AromaticContact CD2-CD2 3.66Å; F159-Y166 HydrophobicContact CD2-CD2 3.66Å; F159-Y166 HydrophobicContact CD2-CE2 4.49Å; F159-Y166 AromaticContact CD2-CG 3.75Å; F159-Y166 HydrophobicContact CD2-CG 3.75Å; F159-Y166 HydrophobicContact CE1-CG 4.47Å; F159-Y166 VanDerWaalsContact CE2-CB 3.42Å; F159-Y166 AromaticContact CE2-CD1 3.7Å; F159-Y166 HydrophobicContact CE2-CD1 3.7Å; F159-Y166 AromaticContact CE2-CD2 3.46Å; F159-Y166 HydrophobicContact CE2-CD2 3.46Å; F159-Y166 VanDerWaalsContact CE2-CD2 3.46Å; F159-Y166 HydrophobicContact CE2-CE1 4.31Å; F159-Y166 HydrophobicContact CE2-CE2 4.11Å; F159-Y166 AromaticContact CE2-CG 3.23Å; F159-Y166 HydrophobicContact CE2-CG 3.23Å; F159-Y166 AromaticContact CZ-CD1 3.85Å; F159-Y166 HydrophobicContact CZ-CD1 3.85Å; F159-Y166 HydrophobicContact CZ-CD2 4.34Å; F159-Y166 AromaticContact CZ-CG 3.67Å; F159-Y166 HydrophobicContact CZ-CG 3.67Å; F159-Y166 PolarHBondContact N-O 3.11Å; F159-Y166 PolarHBondContact O-N 3.19Å; D161-Y166 WeakPolarHBondContact OD2-CE2 3.36Å; D161-Y166 PolarHBondContact OD2-OH 2.65Å; K164-Y166 HydrophobicContact CB-CD2 4.26Å; K164-Y166 HydrophobicContact CB-CE2 3.46Å; K164-Y166 VanDerWaalsContact CB-CE2 3.46Å
167	F	96.1	Very high	95.2	Very high	9 Å²	9	45 Å²	45	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.8	172.4	-62.7	-3.8	0	0	0	109	I120 K121 L123 V137 E140 R141 L155 T158 L169	I120-F167 CarbonylContact C-O 3.57Å; I120-F167 WeakPolarHBondContact CA-O 3.5Å; K121-F167 HydrophobicContact CB-CB 4.36Å; K121-F167 PolarHBondContact N-O 2.99Å; K121-F167 PolarHBondContact O-N 3.08Å; L123-F167 HydrophobicContact CD1-CD1 4.38Å; L123-F167 HydrophobicContact CD1-CD2 4.41Å; L123-F167 HydrophobicContact CD1-CE1 4.41Å; L123-F167 HydrophobicContact CD1-CE2 4.44Å; L123-F167 HydrophobicContact CD1-CG 4.39Å; L123-F167 HydrophobicContact CD1-CZ 4.44Å; V137-F167 HydrophobicContact CG1-CE2 4.4Å; V137-F167 HydrophobicContact CG1-CZ 3.7Å; E140-F167 HydrophobicContact CG-CE2 4.44Å; R141-F167 HydrophobicContact CB-CE1 4.42Å; R141-F167 HydrophobicContact CB-CE2 4.27Å; R141-F167 HydrophobicContact CB-CZ 3.86Å; L155-F167 HydrophobicContact CD1-CB 3.95Å; L155-F167 HydrophobicContact CD1-CG 4.45Å; T158-F167 HydrophobicContact CG2-CD1 3.48Å; T158-F167 VanDerWaalsContact CG2-CD1 3.48Å; T158-F167 HydrophobicContact CG2-CE1 3.92Å; T158-F167 HydrophobicContact CG2-CG 4.15Å; F167-L169 HydrophobicContact CB-CD2 4.19Å
168	G	96.8	Very high	95	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.6	177	0	0	0	0	0	111.6	Y156 F157	Y156-G168 PolarHBondContact N-O 3.37Å; F157-G168 VanDerWaalsContact CE2-CA 3.48Å; F157-G168 PolarHBondContact O-N 3.04Å
169	L	96.4	Very high	94.6	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	160.3	-173	-50.3	-179.9	0	0	0	111.9	Y118 A119 K121 M144 V153 K154 L155 F167 Y171	Y118-L169 WeakPolarHBondContact CA-O 3.22Å; A119-L169 HydrophobicContact CB-CB 4.37Å; A119-L169 PolarHBondContact N-O 2.91Å; A119-L169 WeakPolarHBondContact O-CA 3.45Å; A119-L169 WeakPolarHBondContact O-CB 3.3Å; A119-L169 PolarHBondContact O-N 3.2Å; K121-L169 HydrophobicContact CB-CD1 4.19Å; M144-L169 HydrophobicContact CE-CD1 4.41Å; M144-L169 HydrophobicContact CE-CD2 3.7Å; M144-L169 HydrophobicContact SD-CD2 4.47Å; V153-L169 HydrophobicContact CG1-CB 3.68Å; V153-L169 HydrophobicContact CG1-CD1 4.01Å; V153-L169 HydrophobicContact CG1-CD2 4.43Å; V153-L169 HydrophobicContact CG1-CG 4.25Å; K154-L169 CarbonylContact O-C 3.59Å; K154-L169 WeakPolarHBondContact O-CA 3.33Å; L155-L169 HydrophobicContact CB-CD2 4.13Å; L155-L169 HydrophobicContact CD1-CD2 3.67Å; F167-L169 HydrophobicContact CB-CD2 4.19Å; L169-Y171 PolarHBondContact O-N 3.46Å
170	S	96.1	Very high	94.3	Very high	13 Å²	13	46 Å²	46	9%	0.091	23%	0.227	C	C	.	.			trans	-59	133.4	166.1	55.5	0	0	0	0	111.3	V153 K154 A172 Q231	V153-S170 WeakPolarHBondContact CA-OG 3.43Å; K154-S170 PolarHBondContact N-OG 2.93Å; K154-S170 PolarHBondContact O-N 2.62Å; S170-A172 PolarHBondContact O-N 3.11Å; S170-Q231 PolarHBondContact OG-NE2 3.17Å
171	Y	96.5	Very high	93.8	Very high	42 Å²	42	40 Å²	40	17%	0.165	20%	0.199	C	C	.	.			trans	-86.8	104.5	178.5	174.4	-143.6	0	0	0	111.1	K96 L98 L108 E117 L169 K173	K96-Y171 WeakPolarHBondContact CE-OH 3.45Å; K96-Y171 PolarHBondContact NZ-OH 3.39Å; L98-Y171 HydrophobicContact CD1-CD2 3.74Å; L98-Y171 HydrophobicContact CD1-CE2 3.76Å; L98-Y171 HydrophobicContact CD2-CE2 3.72Å; L98-Y171 HydrophobicContact CG-CE2 4.42Å; L108-Y171 HydrophobicContact CD1-CD1 3.46Å; L108-Y171 VanDerWaalsContact CD1-CD1 3.46Å; L108-Y171 HydrophobicContact CD1-CD2 4.14Å; L108-Y171 HydrophobicContact CD1-CE1 3.46Å; L108-Y171 VanDerWaalsContact CD1-CE1 3.46Å; L108-Y171 HydrophobicContact CD1-CE2 4.16Å; L108-Y171 HydrophobicContact CD1-CG 3.82Å; L108-Y171 HydrophobicContact CD2-CE1 4Å; L108-Y171 HydrophobicContact CG-CE1 4.38Å; E117-Y171 HydrophobicContact CB-CD1 4.1Å; L169-Y171 PolarHBondContact O-N 3.46Å; Y171-K173 HydrophobicContact CD1-CG 3.65Å; Y171-K173 HydrophobicContact CE1-CB 4.47Å; Y171-K173 HydrophobicContact CE1-CD 4.42Å; Y171-K173 HydrophobicContact CE1-CG 3.42Å; Y171-K173 VanDerWaalsContact CE1-CG 3.42Å; Y171-K173 HydrophobicContact CG-CG 4.33Å; Y171-K173 PolarHBondContact O-N 2.87Å; Y171-K173 VanDerWaalsContact O-N 3.08Å
172	A	95.4	Very high	93.3	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	22%	0.215	C	C	.	.			trans	-74	91.6	172	0	0	0	0	0	110.2	S170 N174 G175 L223 L224	S170-A172 PolarHBondContact O-N 3.11Å; A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 PolarHBondContact O-N 2.98Å; A172-G175 PolarHBondContact O-N 2.86Å; A172-L223 HydrophobicContact CB-CB 3.5Å; A172-L223 VanDerWaalsContact CB-CB 3.5Å; A172-L223 HydrophobicContact CB-CD1 3.89Å; A172-L223 HydrophobicContact CB-CG 4.35Å; A172-L224 CarbonylContact C-O 3.51Å; A172-L224 WeakPolarHBondContact CA-O 3.45Å; A172-L224 WeakPolarHBondContact CB-O 3.25Å
173	K	93.9	Very high	92.5	Very high	76 Å²	76	44.6 Å²	44.6	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.9	-169.5	-86	174.8	175.6	174.3	0	114.9	E117 Y171 L224 E226	E117-K173 VanDerWaalsContact OE2-CE 3.31Å; E117-K173 WeakPolarHBondContact OE2-CE 3.45Å; E117-K173 IonicContact OE2-NZ 3.69Å; Y171-K173 HydrophobicContact CD1-CG 3.65Å; Y171-K173 HydrophobicContact CE1-CB 4.47Å; Y171-K173 HydrophobicContact CE1-CD 4.42Å; Y171-K173 HydrophobicContact CE1-CG 3.42Å; Y171-K173 VanDerWaalsContact CE1-CG 3.42Å; Y171-K173 HydrophobicContact CG-CG 4.33Å; Y171-K173 PolarHBondContact O-N 2.87Å; Y171-K173 VanDerWaalsContact O-N 3.08Å; K173-L224 PolarHBondContact N-O 3.27Å; K173-E226 HydrophobicContact CD-CB 4.01Å; K173-E226 HydrophobicContact CD-CG 3.97Å; K173-E226 VanDerWaalsContact CD-OE1 3.27Å; K173-E226 WeakPolarHBondContact CD-OE1 3.43Å; K173-E226 WeakPolarHBondContact CD-OE2 3.33Å; K173-E226 IonicContact NZ-OE1 2.61Å; K173-E226 PolarHBondContact NZ-OE1 2.87Å; K173-E226 IonicContact NZ-OE2 3.54Å; K173-E226 PolarHBondContact NZ-OE2 2.9Å
174	N	94.2	Very high	91.8	Very high	43 Å²	43	41.6 Å²	41.6	23%	0.23	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-18.6	-175.8	-84	-62.6	0	0	0	113.4	A172 K179 Y180 L224 N225 E226 M228	A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 PolarHBondContact O-N 2.98Å; N174-K179 PolarHBondContact O-NZ 2.84Å; N174-Y180 HydrophobicContact CB-CE2 4.48Å; N174-Y180 WeakPolarHBondContact CB-OH 3.42Å; N174-Y180 PolarHBondContact O-OH 2.9Å; N174-Y180 PolarHBondContact OD1-OH 3.24Å; N174-Y180 VanDerWaalsContact OD1-OH 3.09Å; N174-L224 HydrophobicContact CB-CB 3.73Å; N174-L224 PolarHBondContact N-O 2.86Å; N174-L224 VanDerWaalsContact N-O 3.09Å; N174-N225 PolarHBondContact ND2-O 2.89Å; N174-E226 PolarHBondContact ND2-O 2.86Å; N174-M228 HydrophobicContact CB-SD 3.91Å; N174-M228 PolarHBondContact ND2-SD 2.92Å; N174-M228 VanDerWaalsContact ND2-SD 3.43Å
175	G	93.1	Very high	90.9	Very high	23 Å²	23	39.6 Å²	39.6	24%	0.237	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87	-157.8	175.8	0	0	0	0	0	113.7	A172 L223 L224	A172-G175 PolarHBondContact O-N 2.86Å; G175-L223 CarbonylContact O-C 3.45Å; G175-L223 VanDerWaalsContact O-CA 3.28Å; G175-L223 WeakPolarHBondContact O-CA 3.07Å; G175-L224 PolarHBondContact O-N 2.8Å
176	E	92.8	Very high	90.3	Very high	81 Å²	81	38.2 Å²	38.2	38%	0.379	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.9	-177.3	-58.2	169.5	-153.8	0	0	113.2	L178 K179 Y180 L223	E176-L178 VanDerWaalsContact C-N 3.28Å; E176-L178 PolarHBondContact O-N 2.67Å; E176-K179 HydrophobicContact CB-CB 4.49Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.22Å; E176-Y180 WeakPolarHBondContact O-CD2 3.49Å; E176-L223 HydrophobicContact CG-CD2 4.09Å
177	L	93.7	Very high	89.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-36	169.4	-179.2	62.1	0	0	0	111.3	K179 Y180 I181 F187 P219 I222 L224 L287	L177-K179 PolarHBondContact O-N 3.18Å; L177-Y180 WeakPolarHBondContact O-CB 3.46Å; L177-Y180 PolarHBondContact O-N 3.18Å; L177-I181 HydrophobicContact CG-CD1 4.45Å; L177-I181 PolarHBondContact O-N 2.84Å; L177-F187 HydrophobicContact CD1-CE2 4.01Å; L177-F187 HydrophobicContact CD1-CZ 3.74Å; L177-P219 HydrophobicContact CB-CB 4.36Å; L177-P219 HydrophobicContact CG-CB 4.46Å; L177-P219 PolarHBondContact N-O 2.97Å; L177-I222 HydrophobicContact CB-CB 4.17Å; L177-I222 HydrophobicContact CB-CG2 4.2Å; L177-I222 WeakPolarHBondContact CB-O 3.27Å; L177-I222 HydrophobicContact CD2-CB 4.25Å; L177-I222 HydrophobicContact CD2-CD1 4.32Å; L177-I222 HydrophobicContact CD2-CG2 3.94Å; L177-I222 PolarHBondContact N-O 3.29Å; L177-L224 HydrophobicContact CD1-CD1 4.25Å; L177-L287 HydrophobicContact CD2-CD2 4.4Å
178	L	90.7	Very high	89.5	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-33.3	178.6	-171.7	56.1	0	0	0	113.6	E176 Y180 I181 R182 P219 E220	E176-L178 VanDerWaalsContact C-N 3.28Å; E176-L178 PolarHBondContact O-N 2.67Å; L178-Y180 PolarHBondContact O-N 3.49Å; L178-I181 HydrophobicContact CD1-CD1 4.45Å; L178-I181 PolarHBondContact O-N 3.49Å; L178-R182 HydrophobicContact CD1-CG 4.35Å; L178-R182 VanDerWaalsContact CD2-CZ 3.48Å; L178-R182 HydrophobicContact CG-CG 4.41Å; L178-R182 WeakPolarHBondContact O-CB 3.48Å; L178-R182 WeakPolarHBondContact O-CG 3.28Å; L178-R182 PolarHBondContact O-N 2.82Å; L178-P219 HydrophobicContact CB-CB 3.93Å; L178-P219 HydrophobicContact CD1-CB 4.34Å; L178-P219 PolarHBondContact N-O 2.94Å; L178-P219 VanDerWaalsContact N-O 3.09Å; L178-E220 HydrophobicContact CD2-CG 3.59Å
179	K	87.9	Confident	89.3	Confident	103 Å²	103	41.2 Å²	41.2	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-35.4	174.5	170.5	-166.3	163.5	-140.5	0	111.7	N174 E176 L177 K183	N174-K179 PolarHBondContact O-NZ 2.84Å; E176-K179 HydrophobicContact CB-CB 4.49Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.22Å; L177-K179 PolarHBondContact O-N 3.18Å; K179-K183 VanDerWaalsContact O-CB 3.28Å; K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 PolarHBondContact O-N 2.91Å
180	Y	89.3	Confident	89.2	Confident	33 Å²	33	44.4 Å²	44.4	13%	0.129	22%	0.215	C	C	.	.	H	α-helix	trans	-77.7	-47.3	179.5	-68.4	-97.4	0	0	0	110.7	N174 E176 L177 L178 R182 K183 I184 L224 M228 L370	N174-Y180 HydrophobicContact CB-CE2 4.48Å; N174-Y180 WeakPolarHBondContact CB-OH 3.42Å; N174-Y180 PolarHBondContact O-OH 2.9Å; N174-Y180 PolarHBondContact OD1-OH 3.24Å; N174-Y180 VanDerWaalsContact OD1-OH 3.09Å; E176-Y180 WeakPolarHBondContact O-CD2 3.49Å; L177-Y180 WeakPolarHBondContact O-CB 3.46Å; L177-Y180 PolarHBondContact O-N 3.18Å; L178-Y180 PolarHBondContact O-N 3.49Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 2.84Å; Y180-K183 PolarHBondContact O-N 2.82Å; Y180-I184 WeakPolarHBondContact O-CG1 3.28Å; Y180-I184 PolarHBondContact O-N 3.11Å; Y180-L224 HydrophobicContact CD2-CD1 3.67Å; Y180-L224 HydrophobicContact CE2-CD1 3.7Å; Y180-L224 HydrophobicContact CG-CD1 4.31Å; Y180-M228 HydrophobicContact CD1-CE 4.33Å; Y180-M228 HydrophobicContact CE1-CE 3.94Å; Y180-L370 HydrophobicContact CD1-CD1 3.44Å; Y180-L370 VanDerWaalsContact CD1-CD1 3.44Å; Y180-L370 HydrophobicContact CE1-CD1 4.23Å; Y180-L370 HydrophobicContact CG-CD1 3.79Å
181	I	86	Confident	89.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-51.1	-52.1	173.8	-55	173.6	0	0	0	110.1	L177 L178 K183 I184 G185 F187 P219 Q286 L287 G290	L177-I181 HydrophobicContact CG-CD1 4.45Å; L177-I181 PolarHBondContact O-N 2.84Å; L178-I181 HydrophobicContact CD1-CD1 4.45Å; L178-I181 PolarHBondContact O-N 3.49Å; I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 2.78Å; I181-I184 PolarHBondContact O-N 3.15Å; I181-G185 CarbonylContact O-C 3.54Å; I181-G185 PolarHBondContact O-N 3.31Å; I181-F187 HydrophobicContact CG1-CE1 3.87Å; I181-F187 HydrophobicContact CG1-CZ 4.24Å; I181-P219 HydrophobicContact CD1-CB 3.86Å; I181-P219 HydrophobicContact CD1-CG 3.99Å; I181-Q286 HydrophobicContact CD1-CG 4.32Å; I181-Q286 HydrophobicContact CG2-CG 4.32Å; I181-L287 HydrophobicContact CD1-CD2 3.79Å; I181-L287 HydrophobicContact CG1-CD2 4Å; I181-G290 WeakPolarHBondContact CG2-O 3.33Å
182	R	82.1	Confident	89.1	Confident	165 Å²	165	41.9 Å²	41.9	62%	0.623	20%	0.203	S	C	*	.	H	α-helix	trans	-61.9	-27.4	176.6	-74.3	179.2	174.5	146.4	0.7	114.7	L178 Y180	L178-R182 HydrophobicContact CD1-CG 4.35Å; L178-R182 VanDerWaalsContact CD2-CZ 3.48Å; L178-R182 HydrophobicContact CG-CG 4.41Å; L178-R182 WeakPolarHBondContact O-CB 3.48Å; L178-R182 WeakPolarHBondContact O-CG 3.28Å; L178-R182 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 2.84Å
183	K	79.3	Confident	89.2	Confident	139 Å²	139	43 Å²	43	60%	0.604	21%	0.205	S	C	*	.	H	α-helix	trans	-85.1	-34.7	-178.8	178.9	173.3	179.1	178	0	113	K179 Y180 I181	K179-K183 VanDerWaalsContact O-CB 3.28Å; K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 PolarHBondContact O-N 2.91Å; Y180-K183 PolarHBondContact O-N 2.82Å; I181-K183 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 2.78Å
184	I	80	Confident	89.4	Confident	15 Å²	15	40 Å²	40	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-109.1	2.1	-173.8	68.7	158.1	0	0	0	114.1	Y180 I181 S186 F187 L370 T371 P372	Y180-I184 WeakPolarHBondContact O-CG1 3.28Å; Y180-I184 PolarHBondContact O-N 3.11Å; I181-I184 PolarHBondContact O-N 3.15Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 WeakPolarHBondContact CD1-O 3.5Å; I184-S186 PolarHBondContact O-N 2.9Å; I184-F187 HydrophobicContact CD1-CD1 3.63Å; I184-F187 HydrophobicContact CD1-CE1 3.81Å; I184-F187 HydrophobicContact CD1-CG 4.47Å; I184-F187 HydrophobicContact CG1-CD1 4.05Å; I184-F187 HydrophobicContact CG1-CE1 4.02Å; I184-L370 HydrophobicContact CD1-CB 4.24Å; I184-L370 HydrophobicContact CD1-CD2 4.47Å; I184-T371 WeakPolarHBondContact CD1-O 3.4Å; I184-P372 HydrophobicContact CG2-CG 4.33Å
185	G	76.6	Confident	89.5	Confident	13 Å²	13	38 Å²	38	13%	0.134	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	79.7	-75.4	-179.2	0	0	0	0	0	110.8	I181 G290	I181-G185 CarbonylContact O-C 3.54Å; I181-G185 PolarHBondContact O-N 3.31Å; G185-G290 WeakPolarHBondContact O-CA 3.24Å
186	S	82.5	Confident	89.8	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.042	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-133.6	167.9	176.6	71.4	0	0	0	0	111.7	I184 V288 Y373	I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 WeakPolarHBondContact CD1-O 3.5Å; I184-S186 PolarHBondContact O-N 2.9Å; S186-V288 VanDerWaalsContact CB-O 3.25Å; S186-V288 WeakPolarHBondContact CB-O 3.48Å; S186-Y373 WeakPolarHBondContact OG-CD1 3.08Å; S186-Y373 PolarHBondContact OG-O 3.17Å
187	F	87.4	Confident	90	Very high	1 Å²	1	33 Å²	33	0%	0.004	15%	0.152	C	C	.	.			trans	-99.9	145.6	174.6	-76.8	30.1	0	0	0	109.4	L177 I181 I184 C191 T192 Y195 L287 L370 Y373	L177-F187 HydrophobicContact CD1-CE2 4.01Å; L177-F187 HydrophobicContact CD1-CZ 3.74Å; I181-F187 HydrophobicContact CG1-CE1 3.87Å; I181-F187 HydrophobicContact CG1-CZ 4.24Å; I184-F187 HydrophobicContact CD1-CD1 3.63Å; I184-F187 HydrophobicContact CD1-CE1 3.81Å; I184-F187 HydrophobicContact CD1-CG 4.47Å; I184-F187 HydrophobicContact CG1-CD1 4.05Å; I184-F187 HydrophobicContact CG1-CE1 4.02Å; F187-C191 HydrophobicContact CB-CB 4.1Å; F187-C191 HydrophobicContact CD2-CB 3.74Å; F187-C191 HydrophobicContact CG-CB 4.2Å; F187-T192 WeakPolarHBondContact CB-OG1 3.47Å; F187-T192 PolarHBondContact O-OG1 2.62Å; F187-Y195 HydrophobicContact CD2-CD2 4.02Å; F187-Y195 AromaticContact CE2-CD2 3.64Å; F187-Y195 HydrophobicContact CE2-CD2 3.64Å; F187-Y195 HydrophobicContact CE2-CE2 4.01Å; F187-Y195 HydrophobicContact CE2-CG 4.32Å; F187-L287 HydrophobicContact CB-CB 4.48Å; F187-L287 HydrophobicContact CD1-CD2 4.37Å; F187-L287 HydrophobicContact CD2-CD2 3.75Å; F187-L287 HydrophobicContact CE1-CD2 4.35Å; F187-L287 HydrophobicContact CE2-CD2 3.71Å; F187-L287 HydrophobicContact CG-CD2 4.11Å; F187-L287 HydrophobicContact CZ-CD2 4.03Å; F187-L287 PolarHBondContact N-O 3.14Å; F187-L370 HydrophobicContact CD1-CD2 4.42Å; F187-L370 HydrophobicContact CD2-CD2 3.75Å; F187-L370 HydrophobicContact CE1-CD2 4.09Å; F187-L370 HydrophobicContact CE2-CD1 4.5Å; F187-L370 HydrophobicContact CE2-CD2 3.37Å; F187-L370 HydrophobicContact CG-CD2 4.26Å; F187-L370 HydrophobicContact CZ-CD1 4.06Å; F187-L370 HydrophobicContact CZ-CD2 3.56Å; F187-L370 HydrophobicContact CZ-CG 4.48Å; F187-Y373 WeakPolarHBondContact O-CD1 3.38Å
188	D	88.8	Confident	90.2	Very high	33 Å²	33	33 Å²	33	18%	0.176	15%	0.152	C	C	.	.			trans	-68.6	173	170.5	89.5	-57.7	0	0	0	111.3	T190 C191 T192 Y373	D188-T190 PolarHBondContact O-N 2.75Å; D188-T190 WeakPolarHBondContact OD2-CB 3.29Å; D188-T190 PolarHBondContact OD2-N 2.75Å; D188-T190 PolarHBondContact OD2-OG1 3.32Å; D188-C191 PolarHBondContact O-N 3.03Å; D188-C191 VanDerWaalsContact OD1-CB 3.23Å; D188-C191 WeakPolarHBondContact OD1-CB 3.27Å; D188-C191 PolarHBondContact OD1-N 3.17Å; D188-C191 PolarHBondContact OD1-SG 2.61Å; D188-T192 VanDerWaalsContact O-CB 3.27Å; D188-T192 WeakPolarHBondContact O-CB 3.3Å; D188-T192 PolarHBondContact O-N 2.83Å; D188-T192 PolarHBondContact O-OG1 2.93Å; D188-Y373 HydrophobicContact CB-CD2 3.86Å; D188-Y373 HydrophobicContact CB-CE2 4.31Å; D188-Y373 HydrophobicContact CB-CG 3.99Å
189	E	92.8	Very high	90.6	Very high	54 Å²	54	32.7 Å²	32.7	25%	0.252	15%	0.15	S	C	.	.	H	α-helix	trans	-62.6	-35.2	-179.1	-154.1	-169	150.9	0	0	111.4	R193 F318 F353	E189-R193 WeakPolarHBondContact O-CB 3.36Å; E189-R193 PolarHBondContact O-N 3.13Å; E189-R193 IonicContact OE1-CZ 2.8Å; E189-R193 IonicContact OE1-NH2 3.6Å; E189-R193 PolarHBondContact OE1-NH2 3.48Å; E189-R193 IonicContact OE2-NH2 2.67Å; E189-F318 HydrophobicContact CB-CD1 3.9Å; E189-F318 HydrophobicContact CB-CD2 4.15Å; E189-F318 HydrophobicContact CB-CE1 3.7Å; E189-F318 HydrophobicContact CB-CE2 3.96Å; E189-F318 HydrophobicContact CB-CG 4.12Å; E189-F318 HydrophobicContact CB-CZ 3.73Å; E189-F318 HydrophobicContact CG-CB 4.23Å; E189-F318 HydrophobicContact CG-CD1 3.97Å; E189-F318 HydrophobicContact CG-CD2 3.94Å; E189-F318 HydrophobicContact CG-CE1 4.29Å; E189-F318 HydrophobicContact CG-CE2 4.26Å; E189-F318 HydrophobicContact CG-CG 3.79Å; E189-F318 HydrophobicContact CG-CZ 4.42Å; E189-F353 HydrophobicContact CG-CE2 3.87Å
190	T	94.1	Very high	91	Very high	77 Å²	77	27.8 Å²	27.8	47%	0.472	13%	0.129	S	C	.	.	H	α-helix	trans	-65.3	-51.5	-179.4	-38.7	0	0	0	0	111.4	D188 R193 F194 P368	D188-T190 PolarHBondContact O-N 2.75Å; D188-T190 WeakPolarHBondContact OD2-CB 3.29Å; D188-T190 PolarHBondContact OD2-N 2.75Å; D188-T190 PolarHBondContact OD2-OG1 3.32Å; T190-R193 PolarHBondContact O-N 3.45Å; T190-F194 WeakPolarHBondContact O-CB 3.45Å; T190-F194 PolarHBondContact O-N 3.01Å; T190-P368 HydrophobicContact CG2-CB 4.19Å
191	C	94.4	Very high	91.4	Very high	2 Å²	2	27 Å²	27	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-47.3	176.6	-64.7	0	0	0	0	110.6	F187 D188 R193 F194 Y195 P368 L370	F187-C191 HydrophobicContact CB-CB 4.1Å; F187-C191 HydrophobicContact CD2-CB 3.74Å; F187-C191 HydrophobicContact CG-CB 4.2Å; D188-C191 PolarHBondContact O-N 3.03Å; D188-C191 VanDerWaalsContact OD1-CB 3.23Å; D188-C191 WeakPolarHBondContact OD1-CB 3.27Å; D188-C191 PolarHBondContact OD1-N 3.17Å; D188-C191 PolarHBondContact OD1-SG 2.61Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 3.43Å; C191-F194 PolarHBondContact O-N 3.48Å; C191-Y195 HydrophobicContact CB-CD2 4.3Å; C191-Y195 HydrophobicContact CB-CE2 4.3Å; C191-Y195 WeakPolarHBondContact O-CD2 3.49Å; C191-Y195 PolarHBondContact O-N 3.48Å; C191-P368 HydrophobicContact CB-CG 4.34Å; C191-L370 HydrophobicContact CB-CD2 3.89Å
192	T	95.9	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.7	-50.3	177.5	-57.4	0	0	0	0	110.7	F187 D188 F194 S196 I284 L287 V288 F353	F187-T192 WeakPolarHBondContact CB-OG1 3.47Å; F187-T192 PolarHBondContact O-OG1 2.62Å; D188-T192 VanDerWaalsContact O-CB 3.27Å; D188-T192 WeakPolarHBondContact O-CB 3.3Å; D188-T192 PolarHBondContact O-N 2.83Å; D188-T192 PolarHBondContact O-OG1 2.93Å; T192-F194 PolarHBondContact O-N 3.26Å; T192-S196 WeakPolarHBondContact O-CB 3.42Å; T192-S196 PolarHBondContact O-N 3.06Å; T192-S196 PolarHBondContact O-OG 3.28Å; T192-I284 HydrophobicContact CG2-CG2 4.47Å; T192-L287 HydrophobicContact CG2-CB 4.02Å; T192-L287 HydrophobicContact CG2-CD1 4.42Å; T192-V288 HydrophobicContact CG2-CG2 3.58Å; T192-F353 HydrophobicContact CG2-CE1 4.41Å; T192-F353 HydrophobicContact CG2-CZ 3.77Å
193	R	97.4	Very high	92.5	Very high	34 Å²	34	19.2 Å²	19.2	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-45.3	-179.5	-167.3	-170.5	-60.4	131.1	11	112.1	E189 T190 C191 A197 F353 F354 T356 I357	E189-R193 WeakPolarHBondContact O-CB 3.36Å; E189-R193 PolarHBondContact O-N 3.13Å; E189-R193 IonicContact OE1-CZ 2.8Å; E189-R193 IonicContact OE1-NH2 3.6Å; E189-R193 PolarHBondContact OE1-NH2 3.48Å; E189-R193 IonicContact OE2-NH2 2.67Å; T190-R193 PolarHBondContact O-N 3.45Å; C191-R193 VanDerWaalsContact C-N 3.32Å; C191-R193 PolarHBondContact O-N 3.43Å; R193-A197 WeakPolarHBondContact O-CB 3.25Å; R193-A197 PolarHBondContact O-N 3.44Å; R193-F353 HydrophobicContact CB-CE1 4.05Å; R193-F353 HydrophobicContact CB-CE2 4.28Å; R193-F353 HydrophobicContact CB-CZ 3.77Å; R193-F353 WeakPolarHBondContact CD-O 3.38Å; R193-F353 HydrophobicContact CG-CD1 4.4Å; R193-F353 HydrophobicContact CG-CE1 4.16Å; R193-F353 HydrophobicContact CG-CZ 4.25Å; R193-F353 VanDerWaalsContact CG-O 3.29Å; R193-F353 WeakPolarHBondContact CG-O 3.43Å; R193-F353 PolarHBondContact NE-O 3.11Å; R193-F354 HydrophobicContact CG-CD1 4.02Å; R193-T356 VanDerWaalsContact CD-OG1 3.31Å; R193-T356 WeakPolarHBondContact CD-OG1 3.42Å; R193-T356 PolarHBondContact NH1-OG1 3.21Å; R193-I357 HydrophobicContact CG-CD1 3.97Å; R193-I357 HydrophobicContact CG-CG1 3.92Å
194	F	97.6	Very high	93.3	Very high	12 Å²	12	13.4 Å²	13.4	5%	0.053	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-57.6	-179.8	-173.1	-85.9	0	0	0	112.5	T190 C191 T192 S196 A197 E198 L362 Q365 P367 P368	T190-F194 WeakPolarHBondContact O-CB 3.45Å; T190-F194 PolarHBondContact O-N 3.01Å; C191-F194 PolarHBondContact O-N 3.48Å; T192-F194 PolarHBondContact O-N 3.26Å; F194-S196 VanDerWaalsContact C-N 3.25Å; F194-S196 PolarHBondContact O-N 2.93Å; F194-A197 WeakPolarHBondContact O-CB 3.39Å; F194-A197 PolarHBondContact O-N 3.45Å; F194-A197 VanDerWaalsContact O-N 3.09Å; F194-E198 HydrophobicContact CD1-CG 4.21Å; F194-E198 HydrophobicContact CE1-CG 3.89Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.31Å; F194-E198 HydrophobicContact CZ-CG 4.49Å; F194-E198 PolarHBondContact O-N 2.79Å; F194-L362 HydrophobicContact CD2-CD1 3.9Å; F194-L362 HydrophobicContact CE2-CD1 3.56Å; F194-L362 HydrophobicContact CZ-CD1 4.06Å; F194-Q365 HydrophobicContact CE2-CB 4.17Å; F194-P367 HydrophobicContact CD1-CB 4.24Å; F194-P367 HydrophobicContact CE1-CB 3.61Å; F194-P367 HydrophobicContact CE1-CG 3.78Å; F194-P367 HydrophobicContact CZ-CB 3.94Å; F194-P367 HydrophobicContact CZ-CG 3.86Å; F194-P368 HydrophobicContact CB-CG 3.69Å; F194-P368 HydrophobicContact CD1-CG 4.35Å; F194-P368 HydrophobicContact CD2-CG 4.43Å; F194-P368 HydrophobicContact CG-CG 3.91Å
195	Y	97.9	Very high	94	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-32.6	-177.6	-70.2	-74.8	0	0	0	111.6	F187 C191 E198 I199 L224 M228 I230 L370	F187-Y195 HydrophobicContact CD2-CD2 4.02Å; F187-Y195 AromaticContact CE2-CD2 3.64Å; F187-Y195 HydrophobicContact CE2-CD2 3.64Å; F187-Y195 HydrophobicContact CE2-CE2 4.01Å; F187-Y195 HydrophobicContact CE2-CG 4.32Å; C191-Y195 HydrophobicContact CB-CD2 4.3Å; C191-Y195 HydrophobicContact CB-CE2 4.3Å; C191-Y195 WeakPolarHBondContact O-CD2 3.49Å; C191-Y195 PolarHBondContact O-N 3.48Å; Y195-E198 PolarHBondContact O-N 3.13Å; Y195-I199 WeakPolarHBondContact O-CD1 3.17Å; Y195-I199 VanDerWaalsContact O-CG1 3.26Å; Y195-I199 WeakPolarHBondContact O-CG1 3.47Å; Y195-I199 PolarHBondContact O-N 2.89Å; Y195-I199 VanDerWaalsContact O-N 3.13Å; Y195-L224 HydrophobicContact CD1-CD2 4.36Å; Y195-L224 HydrophobicContact CE1-CD2 3.75Å; Y195-M228 WeakPolarHBondContact CE1-O 3.39Å; Y195-M228 PolarHBondContact OH-O 3.05Å; Y195-I230 HydrophobicContact CD1-CG2 3.92Å; Y195-L370 HydrophobicContact CD2-CD2 4.34Å; Y195-L370 HydrophobicContact CE2-CD2 3.58Å; Y195-L370 HydrophobicContact CE2-CG 4.23Å
196	S	98	Very high	94.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-40.9	173.8	-57.9	0	0	0	0	112	T192 F194 I199 V200	T192-S196 WeakPolarHBondContact O-CB 3.42Å; T192-S196 PolarHBondContact O-N 3.06Å; T192-S196 PolarHBondContact O-OG 3.28Å; F194-S196 VanDerWaalsContact C-N 3.25Å; F194-S196 PolarHBondContact O-N 2.93Å; S196-I199 PolarHBondContact O-N 3.36Å; S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 2.89Å
197	A	98.1	Very high	95.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-37.6	175.7	0	0	0	0	0	112.4	R193 F194 I199 V200 C201 F354 I357 W359 L362	R193-A197 WeakPolarHBondContact O-CB 3.25Å; R193-A197 PolarHBondContact O-N 3.44Å; F194-A197 WeakPolarHBondContact O-CB 3.39Å; F194-A197 PolarHBondContact O-N 3.45Å; F194-A197 VanDerWaalsContact O-N 3.09Å; A197-I199 PolarHBondContact O-N 3.37Å; A197-V200 PolarHBondContact O-N 3.49Å; A197-C201 PolarHBondContact O-N 3.02Å; A197-F354 HydrophobicContact CB-CD1 4.18Å; A197-F354 HydrophobicContact CB-CE1 4.12Å; A197-I357 HydrophobicContact CB-CD1 4.24Å; A197-I357 HydrophobicContact CB-CG1 4.12Å; A197-I357 HydrophobicContact CB-CG2 3.91Å; A197-W359 HydrophobicContact CB-CE3 4.4Å; A197-W359 HydrophobicContact CB-CH2 3.85Å; A197-W359 HydrophobicContact CB-CZ3 3.69Å; A197-L362 HydrophobicContact CB-CD2 3.71Å
198	E	98.1	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-43.2	174.1	-61	-155.1	135	0	0	111.8	F151 F194 Y195 C201 A202 H229 I230 L362	F151-E198 HydrophobicContact CD2-CB 4.08Å; F151-E198 VanDerWaalsContact CD2-O 3.27Å; F151-E198 WeakPolarHBondContact CD2-O 3.36Å; F151-E198 HydrophobicContact CE1-CB 4.3Å; F151-E198 HydrophobicContact CE1-CG 4.06Å; F151-E198 WeakPolarHBondContact CE1-OE1 3.39Å; F151-E198 HydrophobicContact CE2-CB 3.83Å; F151-E198 HydrophobicContact CE2-CG 4.06Å; F151-E198 HydrophobicContact CG-CB 4.46Å; F151-E198 HydrophobicContact CZ-CB 3.95Å; F151-E198 HydrophobicContact CZ-CG 3.69Å; F151-E198 VanDerWaalsContact CZ-OE1 3.31Å; F151-E198 WeakPolarHBondContact CZ-OE1 3.42Å; F194-E198 HydrophobicContact CD1-CG 4.21Å; F194-E198 HydrophobicContact CE1-CG 3.89Å; F194-E198 WeakPolarHBondContact CE1-OE1 3.31Å; F194-E198 HydrophobicContact CZ-CG 4.49Å; F194-E198 PolarHBondContact O-N 2.79Å; Y195-E198 PolarHBondContact O-N 3.13Å; E198-C201 PolarHBondContact O-N 3.24Å; E198-A202 WeakPolarHBondContact O-CB 3.17Å; E198-A202 PolarHBondContact O-N 3.22Å; E198-H229 IonicContact OE1-CE1 2.62Å; E198-H229 IonicContact OE1-CG 3.76Å; E198-H229 IonicContact OE1-ND1 2.77Å; E198-H229 PolarHBondContact OE1-ND1 3.04Å; E198-I230 HydrophobicContact CB-CD1 3.59Å; E198-I230 HydrophobicContact CB-CG1 3.82Å; E198-I230 WeakPolarHBondContact OE2-CG2 3.27Å; E198-I230 PolarHBondContact OE2-N 3.1Å; E198-L362 HydrophobicContact CB-CD2 4.48Å; E198-L362 HydrophobicContact CG-CD2 3.92Å; E198-L362 HydrophobicContact CG-CG 4.12Å
199	I	97.5	Very high	95.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.7	-60.2	160.9	0	0	0	110.3	Y195 S196 A197 A202 L203 I222 I230 L280 I283	Y195-I199 WeakPolarHBondContact O-CD1 3.17Å; Y195-I199 VanDerWaalsContact O-CG1 3.26Å; Y195-I199 WeakPolarHBondContact O-CG1 3.47Å; Y195-I199 PolarHBondContact O-N 2.89Å; Y195-I199 VanDerWaalsContact O-N 3.13Å; S196-I199 PolarHBondContact O-N 3.36Å; A197-I199 PolarHBondContact O-N 3.37Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-L203 HydrophobicContact CG2-CD1 3.95Å; I199-L203 HydrophobicContact CG2-CG 4.19Å; I199-L203 WeakPolarHBondContact O-CB 3.39Å; I199-L203 WeakPolarHBondContact O-CG 3.24Å; I199-L203 PolarHBondContact O-N 2.6Å; I199-I222 HydrophobicContact CD1-CD1 3.76Å; I199-I222 HydrophobicContact CG1-CD1 4.12Å; I199-I230 HydrophobicContact CB-CD1 4.44Å; I199-I230 HydrophobicContact CG1-CD1 3.78Å; I199-L280 HydrophobicContact CB-CD1 4.14Å; I199-L280 HydrophobicContact CG2-CD1 3.77Å; I199-I283 HydrophobicContact CD1-CG2 4.01Å
200	V	97.7	Very high	95.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-47.5	175	168.9	0	0	0	0	111.4	S196 A197 A202 L203 E204 L280 Y345 L348 R349 F354 W359	S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 2.89Å; A197-V200 PolarHBondContact O-N 3.49Å; V200-A202 PolarHBondContact O-N 3.44Å; V200-L203 PolarHBondContact O-N 3.19Å; V200-E204 WeakPolarHBondContact O-CB 3.19Å; V200-E204 PolarHBondContact O-N 3.43Å; V200-L280 HydrophobicContact CG2-CD2 3.72Å; V200-Y345 HydrophobicContact CG1-CD1 3.98Å; V200-Y345 HydrophobicContact CG1-CE1 4.3Å; V200-L348 HydrophobicContact CG1-CD2 4.05Å; V200-L348 HydrophobicContact CG1-CG 4.28Å; V200-L348 HydrophobicContact CG2-CD2 4.08Å; V200-L348 HydrophobicContact CG2-CG 4.39Å; V200-R349 HydrophobicContact CG1-CG 4.14Å; V200-F354 HydrophobicContact CG2-CZ 4.15Å; V200-W359 HydrophobicContact CB-CH2 4.23Å; V200-W359 HydrophobicContact CB-CZ3 4Å; V200-W359 HydrophobicContact CG1-CH2 3.92Å; V200-W359 HydrophobicContact CG1-CZ3 3.76Å
201	C	96.9	Very high	94.8	Very high	16 Å²	16	19.1 Å²	19.1	11%	0.108	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-43.3	174.6	-79.1	0	0	0	0	112.8	F151 A197 E198 E204 Y205	F151-C201 HydrophobicContact CD2-CB 3.93Å; F151-C201 HydrophobicContact CE2-CB 3.75Å; A197-C201 PolarHBondContact O-N 3.02Å; E198-C201 PolarHBondContact O-N 3.24Å; C201-E204 PolarHBondContact O-N 2.9Å; C201-Y205 PolarHBondContact O-N 3.05Å; C201-Y205 VanDerWaalsContact O-N 3.13Å
202	A	95.8	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-45.2	178.8	0	0	0	0	0	111.7	F151 F152 E198 I199 V200 Y205 L206 I232	F151-A202 HydrophobicContact CB-CB 3.91Å; F151-A202 HydrophobicContact CD2-CB 4.46Å; F152-A202 HydrophobicContact CE1-CB 4.28Å; F152-A202 HydrophobicContact CE2-CB 4.13Å; F152-A202 HydrophobicContact CZ-CB 3.75Å; F152-A202 VanDerWaalsContact CZ-O 3.3Å; F152-A202 WeakPolarHBondContact CZ-O 3.31Å; E198-A202 WeakPolarHBondContact O-CB 3.17Å; E198-A202 PolarHBondContact O-N 3.22Å; I199-A202 PolarHBondContact O-N 3.49Å; V200-A202 PolarHBondContact O-N 3.44Å; A202-Y205 PolarHBondContact O-N 3Å; A202-L206 WeakPolarHBondContact O-CB 3.17Å; A202-L206 PolarHBondContact O-N 3.42Å; A202-L206 VanDerWaalsContact O-N 3.08Å; A202-I232 HydrophobicContact CB-CD1 3.65Å
203	L	95.3	Very high	93.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-39.1	177.4	-66.6	177.9	0	0	0	112.1	I199 V200 Y205 L206 H207 L217 D276 L280 Y345	I199-L203 HydrophobicContact CG2-CD1 3.95Å; I199-L203 HydrophobicContact CG2-CG 4.19Å; I199-L203 WeakPolarHBondContact O-CB 3.39Å; I199-L203 WeakPolarHBondContact O-CG 3.24Å; I199-L203 PolarHBondContact O-N 2.6Å; V200-L203 PolarHBondContact O-N 3.19Å; L203-Y205 PolarHBondContact O-N 3.11Å; L203-L206 PolarHBondContact O-N 2.9Å; L203-H207 VanDerWaalsContact O-CB 3.29Å; L203-H207 WeakPolarHBondContact O-CB 3.4Å; L203-H207 PolarHBondContact O-N 2.88Å; L203-L217 HydrophobicContact CD1-CD2 4.02Å; L203-L217 HydrophobicContact CD2-CD2 4.01Å; L203-D276 HydrophobicContact CD1-CB 4.21Å; L203-D276 HydrophobicContact CD2-CB 3.97Å; L203-L280 HydrophobicContact CD1-CB 4.28Å; L203-L280 HydrophobicContact CD1-CD2 4.46Å; L203-Y345 HydrophobicContact CB-CE1 4.19Å; L203-Y345 VanDerWaalsContact CB-OH 3.27Å; L203-Y345 WeakPolarHBondContact CB-OH 3.38Å
204	E	95.7	Very high	91.5	Very high	17 Å²	17	18 Å²	18	8%	0.079	9%	0.085	C	C	.	.	H	α-helix	trans	-56.2	-48.8	174.1	-173.6	-174.4	162.6	0	0	111.3	V200 C201 L206 K208 Y345 R349	V200-E204 WeakPolarHBondContact O-CB 3.19Å; V200-E204 PolarHBondContact O-N 3.43Å; C201-E204 PolarHBondContact O-N 2.9Å; E204-L206 PolarHBondContact O-N 3.34Å; E204-K208 HydrophobicContact CG-CD 4.11Å; E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 VanDerWaalsContact O-CG 3.24Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.5Å; E204-K208 WeakPolarHBondContact OE1-CE 3.23Å; E204-K208 IonicContact OE1-NZ 2.7Å; E204-K208 PolarHBondContact OE1-NZ 2.57Å; E204-Y345 HydrophobicContact CB-CD1 3.58Å; E204-Y345 HydrophobicContact CB-CD2 4.22Å; E204-Y345 HydrophobicContact CB-CE1 3.82Å; E204-Y345 HydrophobicContact CB-CE2 4.43Å; E204-Y345 HydrophobicContact CB-CG 3.8Å; E204-Y345 HydrophobicContact CG-CD1 4.01Å; E204-Y345 HydrophobicContact CG-CD2 4.07Å; E204-Y345 HydrophobicContact CG-CG 3.71Å; E204-R349 IonicContact OE1-CZ 2.63Å; E204-R349 IonicContact OE1-NH1 2.65Å; E204-R349 PolarHBondContact OE1-NH1 2.86Å; E204-R349 IonicContact OE1-NH2 3.44Å; E204-R349 IonicContact OE2-CZ 3.78Å; E204-R349 IonicContact OE2-NE 2.67Å; E204-R349 IonicContact OE2-NH1 2.62Å; E204-R349 PolarHBondContact OE2-NH1 3.11Å
205	Y	94.9	Very high	89.7	Confident	46 Å²	46	19 Å²	19	18%	0.18	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-46	176.2	177.9	-87.4	0	0	0	112.1	L147 D148 H149 F152 C201 A202 L203 K208 K209	L147-Y205 HydrophobicContact CD2-CE1 3.97Å; D148-Y205 VanDerWaalsContact C-OH 3.24Å; D148-Y205 PolarHBondContact N-OH 2.77Å; D148-Y205 WeakPolarHBondContact O-CE2 3.42Å; D148-Y205 PolarHBondContact O-OH 2.91Å; H149-Y205 HydrophobicContact CB-CD1 3.97Å; H149-Y205 HydrophobicContact CB-CD2 3.78Å; H149-Y205 HydrophobicContact CB-CE1 3.84Å; H149-Y205 HydrophobicContact CB-CE2 3.62Å; H149-Y205 HydrophobicContact CB-CG 3.93Å; H149-Y205 AromaticContact CD2-CD2 3.6Å; H149-Y205 AromaticContact CD2-CG 3.9Å; H149-Y205 AromaticContact CG-CD2 3.83Å; H149-Y205 AromaticContact CG-CG 3.85Å; F152-Y205 HydrophobicContact CD2-CD1 4.45Å; F152-Y205 AromaticContact CE2-CD1 3.78Å; F152-Y205 HydrophobicContact CE2-CD1 3.78Å; F152-Y205 HydrophobicContact CE2-CE1 4.42Å; F152-Y205 HydrophobicContact CE2-CG 4.45Å; C201-Y205 PolarHBondContact O-N 3.05Å; C201-Y205 VanDerWaalsContact O-N 3.13Å; A202-Y205 PolarHBondContact O-N 3Å; L203-Y205 PolarHBondContact O-N 3.11Å; Y205-K208 PolarHBondContact O-N 2.87Å; Y205-K209 HydrophobicContact CE1-CD 3.95Å; Y205-K209 VanDerWaalsContact CZ-CE 3.45Å; Y205-K209 PolarHBondContact O-N 3.48Å; Y205-K209 VanDerWaalsContact OH-CE 3.24Å; Y205-K209 WeakPolarHBondContact OH-CE 3.42Å; Y205-K209 PolarHBondContact OH-NZ 2.84Å
206	L	92	Very high	88.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.3	-43	-175.5	-162.6	66.9	0	0	0	111.8	L147 F152 A202 L203 E204 K209 G210 I211 H213 F235	L147-L206 HydrophobicContact CD1-CD1 4.49Å; L147-L206 HydrophobicContact CD2-CD1 3.67Å; F152-L206 HydrophobicContact CZ-CB 4.23Å; F152-L206 HydrophobicContact CZ-CD1 4.32Å; A202-L206 WeakPolarHBondContact O-CB 3.17Å; A202-L206 PolarHBondContact O-N 3.42Å; A202-L206 VanDerWaalsContact O-N 3.08Å; L203-L206 PolarHBondContact O-N 2.9Å; E204-L206 PolarHBondContact O-N 3.34Å; L206-K209 CarbonylContact O-C 3.55Å; L206-K209 PolarHBondContact O-N 3.18Å; L206-K209 VanDerWaalsContact O-N 3.15Å; L206-G210 PolarHBondContact O-N 2.71Å; L206-I211 CarbonylContact C-O 3.57Å; L206-I211 HydrophobicContact CD1-CB 3.77Å; L206-I211 HydrophobicContact CD1-CD1 4.05Å; L206-I211 HydrophobicContact CD1-CG2 3.63Å; L206-I211 HydrophobicContact CD2-CG2 4.2Å; L206-I211 HydrophobicContact CG-CB 3.82Å; L206-I211 HydrophobicContact CG-CG2 3.77Å; L206-I211 PolarHBondContact O-N 3.42Å; L206-H213 HydrophobicContact CD2-CB 3.67Å; L206-F235 HydrophobicContact CD1-CE1 4.23Å; L206-F235 HydrophobicContact CD2-CE1 4.35Å
207	H	92.1	Very high	87.7	Confident	9 Å²	9	19.9 Å²	19.9	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-68.1	-35.1	177.4	-75.3	-168.7	0	0	0	112.5	L203 K209 G210 I211 K273 D276 Y345	L203-H207 VanDerWaalsContact O-CB 3.29Å; L203-H207 WeakPolarHBondContact O-CB 3.4Å; L203-H207 PolarHBondContact O-N 2.88Å; H207-K209 VanDerWaalsContact C-N 3.27Å; H207-K209 PolarHBondContact O-N 3.2Å; H207-G210 PolarHBondContact O-N 2.74Å; H207-I211 PolarHBondContact CD2-O 2.82Å; H207-K273 HydrophobicContact CB-CD 4.04Å; H207-K273 PolarHBondContact CE1-O 2.86Å; H207-K273 PolarHBondContact NE2-O 2.98Å; H207-K273 WeakPolarHBondContact O-CE 3.28Å; H207-K273 PolarHBondContact O-NZ 3.44Å; H207-D276 IonicContact CD2-OD2 2.9Å; H207-D276 IonicContact CE1-OD2 3.22Å; H207-D276 IonicContact NE2-OD2 2.68Å; H207-D276 PolarHBondContact NE2-OD2 3.44Å; H207-Y345 HydrophobicContact CB-CE2 4.08Å; H207-Y345 PolarHBondContact CE1-OH 3.48Å; H207-Y345 AromaticContact ND1-CE2 3.56Å; H207-Y345 AromaticContact ND1-CZ 3.61Å; H207-Y345 PolarHBondContact ND1-OH 3.16Å
208	K	92.4	Very high	87.2	Confident	153 Å²	153	21 Å²	21	67%	0.665	10%	0.098	S	C	*	.	H	α-helix	trans	-63.4	-31.3	170.7	-78.4	173.2	174.9	178.4	0	112.5	E204 Y205 G210	E204-K208 HydrophobicContact CG-CD 4.11Å; E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 VanDerWaalsContact O-CG 3.24Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.5Å; E204-K208 WeakPolarHBondContact OE1-CE 3.23Å; E204-K208 IonicContact OE1-NZ 2.7Å; E204-K208 PolarHBondContact OE1-NZ 2.57Å; Y205-K208 PolarHBondContact O-N 2.87Å; K208-G210 PolarHBondContact O-N 2.68Å
209	K	89.8	Confident	86.9	Confident	90 Å²	90	21 Å²	21	39%	0.391	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	5.4	170.2	-68.2	-160.1	175.3	-166.1	0	114.5	N146 Y205 L206 H207 I211	N146-K209 PolarHBondContact O-NZ 3.04Å; Y205-K209 HydrophobicContact CE1-CD 3.95Å; Y205-K209 VanDerWaalsContact CZ-CE 3.45Å; Y205-K209 PolarHBondContact O-N 3.48Å; Y205-K209 VanDerWaalsContact OH-CE 3.24Å; Y205-K209 WeakPolarHBondContact OH-CE 3.42Å; Y205-K209 PolarHBondContact OH-NZ 2.84Å; L206-K209 CarbonylContact O-C 3.55Å; L206-K209 PolarHBondContact O-N 3.18Å; L206-K209 VanDerWaalsContact O-N 3.15Å; H207-K209 VanDerWaalsContact C-N 3.27Å; H207-K209 PolarHBondContact O-N 3.2Å; K209-I211 HydrophobicContact CB-CD1 4.02Å; K209-I211 HydrophobicContact CB-CG1 4.41Å; K209-I211 PolarHBondContact O-N 3.43Å
210	G	86.4	Confident	86.5	Confident	17 Å²	17	23 Å²	23	18%	0.175	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	21	-179.4	0	0	0	0	0	113.7	L206 H207 K208 L241	L206-G210 PolarHBondContact O-N 2.71Å; H207-G210 PolarHBondContact O-N 2.74Å; K208-G210 PolarHBondContact O-N 2.68Å; G210-L241 WeakPolarHBondContact O-CB 3.35Å; G210-L241 WeakPolarHBondContact O-CG 3.38Å; G210-L241 PolarHBondContact O-N 3.38Å
211	I	85.9	Confident	86.2	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137	178	-61.5	160.6	0	0	0	108.7	L143 L147 L206 H207 K209 Q240	L143-I211 HydrophobicContact CD1-CG2 3.87Å; L143-I211 HydrophobicContact CD2-CD1 4.14Å; L143-I211 HydrophobicContact CD2-CG2 4.44Å; L143-I211 HydrophobicContact CG-CD1 4.02Å; L143-I211 HydrophobicContact CG-CG2 4.36Å; L147-I211 HydrophobicContact CD2-CD1 4.21Å; L206-I211 CarbonylContact C-O 3.57Å; L206-I211 HydrophobicContact CD1-CB 3.77Å; L206-I211 HydrophobicContact CD1-CD1 4.05Å; L206-I211 HydrophobicContact CD1-CG2 3.63Å; L206-I211 HydrophobicContact CD2-CG2 4.2Å; L206-I211 HydrophobicContact CG-CB 3.82Å; L206-I211 HydrophobicContact CG-CG2 3.77Å; L206-I211 PolarHBondContact O-N 3.42Å; H207-I211 PolarHBondContact CD2-O 2.82Å; K209-I211 HydrophobicContact CB-CD1 4.02Å; K209-I211 HydrophobicContact CB-CG1 4.41Å; K209-I211 PolarHBondContact O-N 3.43Å; I211-Q240 HydrophobicContact CG1-CB 4.39Å; I211-Q240 HydrophobicContact CG1-CG 4.29Å
212	I	83.9	Confident	86.1	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.2	170.7	-60.3	163.7	0	0	0	107.1	K239 L241 C272 K273	I212-K239 PolarHBondContact N-O 3.4Å; I212-K239 PolarHBondContact O-N 3.07Å; I212-L241 HydrophobicContact CD1-CD1 4.12Å; I212-L241 HydrophobicContact CD1-CD2 3.84Å; I212-L241 HydrophobicContact CD1-CG 4.05Å; I212-L241 HydrophobicContact CG1-CD1 4.43Å; I212-C272 WeakPolarHBondContact CG2-O 3.38Å; I212-K273 HydrophobicContact CG1-CG 4.02Å
213	H	75.8	Confident	86.1	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.116	C	C	.	.			trans	-81	-43.9	173.1	-168.1	-68.8	0	0	0	110.1	L206 R215 D216 I232 T233 F235 D276	L206-H213 HydrophobicContact CD2-CB 3.67Å; H213-R215 VanDerWaalsContact C-N 3.33Å; H213-R215 PolarHBondContact O-N 2.89Å; H213-D216 PolarHBondContact CE1-O 3.13Å; H213-I232 WeakPolarHBondContact NE2-CG2 3.44Å; H213-T233 PolarHBondContact NE2-O 2.77Å; H213-F235 AromaticContact CD2-CE1 3.66Å; H213-D276 VanDerWaalsContact CB-OD1 3.31Å; H213-D276 WeakPolarHBondContact CB-OD1 3.42Å; H213-D276 PolarHBondContact N-OD1 2.77Å; H213-D276 PolarHBondContact N-OD2 1.98Å; H213-D276 VanDerWaalsContact N-OD2 3.11Å
214	S	58.9	Low	86.2	Confident	6 Å²	6	24.8 Å²	24.8	4%	0.042	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	87.5	-173	-171.1	0	0	0	0	113.5	S275 D276	S214-S275 VanDerWaalsContact CB-C 3.4Å; S214-S275 VanDerWaalsContact CB-O 3.28Å; S214-S275 WeakPolarHBondContact CB-O 3.33Å; S214-S275 PolarHBondContact OG-O 3.27Å; S214-D276 WeakPolarHBondContact CA-OD1 3.14Å; S214-D276 WeakPolarHBondContact CB-OD1 3.35Å; S214-D276 PolarHBondContact N-OD1 2.74Å
215	R	61	Low	86.1	Confident	35 Å²	35	25.3 Å²	25.3	13%	0.132	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn		-118	-7.1	113.4	-65	-176	-74.8	170.6	-5.8	113.6	H213 T237 S253 V255 G256 L265	H213-R215 VanDerWaalsContact C-N 3.33Å; H213-R215 PolarHBondContact O-N 2.89Å; R215-T237 PolarHBondContact NE-O 3.25Å; R215-T237 VanDerWaalsContact NE-O 3.15Å; R215-T237 PolarHBondContact NH2-O 2.8Å; R215-S253 PolarHBondContact NH1-O 3.2Å; R215-S253 PolarHBondContact NH1-OG 3.44Å; R215-V255 WeakPolarHBondContact CB-O 3.48Å; R215-G256 VanDerWaalsContact O-CA 3.23Å; R215-G256 WeakPolarHBondContact O-CA 3.36Å; R215-L265 HydrophobicContact CG-CD2 4.18Å
216	D	68	Low	86.1	Confident	17 Å²	17	28.4 Å²	28.4	9%	0.091	14%	0.136	C	C	.	.	S	Bend	trans	-151.6	37.5	-174.2	-150.7	39.7	0	0	0	114.3	H213 K218 N221 G256 T257	H213-D216 PolarHBondContact CE1-O 3.13Å; D216-K218 PolarHBondContact O-N 3.34Å; D216-K218 WeakPolarHBondContact OD1-CD 3.45Å; D216-K218 IonicContact OD1-NZ 3.87Å; D216-K218 PolarHBondContact OD1-NZ 2.89Å; D216-K218 WeakPolarHBondContact OD2-CE 3.28Å; D216-K218 IonicContact OD2-NZ 3.87Å; D216-K218 PolarHBondContact OD2-NZ 2.8Å; D216-N221 PolarHBondContact O-ND2 3.47Å; D216-N221 PolarHBondContact OD2-ND2 2.98Å; D216-G256 WeakPolarHBondContact OD1-CA 3.48Å; D216-T257 PolarHBondContact OD1-N 2.72Å
217	L	85.4	Confident	86.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.161	C	C	.	.			trans	-75.1	117.2	170	-175	71.8	0	0	0	109.4	L203 I232 A279 I283	L203-L217 HydrophobicContact CD1-CD2 4.02Å; L203-L217 HydrophobicContact CD2-CD2 4.01Å; L217-I232 HydrophobicContact CD1-CD1 4.39Å; L217-I232 HydrophobicContact CD1-CG2 4.32Å; L217-A279 HydrophobicContact CB-CB 3.99Å; L217-A279 HydrophobicContact CD2-CB 4.06Å; L217-A279 HydrophobicContact CG-CB 4.39Å; L217-I283 HydrophobicContact CD2-CD1 4.27Å; L217-I283 HydrophobicContact CG-CD1 3.99Å
218	K	88.5	Confident	86.4	Confident	22 Å²	22	35.2 Å²	35.2	10%	0.096	17%	0.168	C	C	.	.	S	Bend	trans	-164.7	161.7	-173.6	64.9	-165.9	-169.3	-157.8	0	111.5	D216 E220 N221 I222 T257 Y260	D216-K218 PolarHBondContact O-N 3.34Å; D216-K218 WeakPolarHBondContact OD1-CD 3.45Å; D216-K218 IonicContact OD1-NZ 3.87Å; D216-K218 PolarHBondContact OD1-NZ 2.89Å; D216-K218 WeakPolarHBondContact OD2-CE 3.28Å; D216-K218 IonicContact OD2-NZ 3.87Å; D216-K218 PolarHBondContact OD2-NZ 2.8Å; K218-E220 WeakPolarHBondContact CB-OE2 3.24Å; K218-E220 HydrophobicContact CD-CB 4.38Å; K218-E220 VanDerWaalsContact CD-OE1 3.3Å; K218-E220 WeakPolarHBondContact CD-OE1 3.44Å; K218-E220 VanDerWaalsContact CE-OE1 3.24Å; K218-E220 WeakPolarHBondContact CE-OE1 3.21Å; K218-E220 HydrophobicContact CG-CB 4.09Å; K218-E220 HydrophobicContact CG-CG 4.5Å; K218-E220 VanDerWaalsContact CG-OE2 3.32Å; K218-E220 WeakPolarHBondContact CG-OE2 3.28Å; K218-E220 IonicContact NZ-OE1 3.6Å; K218-E220 PolarHBondContact O-N 2.98Å; K218-E220 VanDerWaalsContact O-N 3.14Å; K218-N221 HydrophobicContact CG-CB 4.19Å; K218-N221 PolarHBondContact O-N 3.4Å; K218-I222 PolarHBondContact O-N 2.78Å; K218-T257 WeakPolarHBondContact CD-OG1 3.36Å; K218-T257 WeakPolarHBondContact CE-OG1 3.34Å; K218-T257 PolarHBondContact NZ-OG1 3.1Å; K218-Y260 HydrophobicContact CB-CD1 4.4Å; K218-Y260 HydrophobicContact CB-CD2 3.58Å; K218-Y260 HydrophobicContact CB-CE1 4.34Å; K218-Y260 HydrophobicContact CB-CE2 3.48Å; K218-Y260 VanDerWaalsContact CB-CE2 3.48Å; K218-Y260 HydrophobicContact CB-CG 4.05Å; K218-Y260 HydrophobicContact CD-CD2 4.46Å; K218-Y260 HydrophobicContact CD-CE2 4.36Å
219	P	90.4	Very high	86.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.9	-176.9	-22.3	36.1	0	0	0	115.7	L177 L178 I181 Y260 I283	L177-P219 HydrophobicContact CB-CB 4.36Å; L177-P219 HydrophobicContact CG-CB 4.46Å; L177-P219 PolarHBondContact N-O 2.97Å; L178-P219 HydrophobicContact CB-CB 3.93Å; L178-P219 HydrophobicContact CD1-CB 4.34Å; L178-P219 PolarHBondContact N-O 2.94Å; L178-P219 VanDerWaalsContact N-O 3.09Å; I181-P219 HydrophobicContact CD1-CB 3.86Å; I181-P219 HydrophobicContact CD1-CG 3.99Å; P219-Y260 WeakPolarHBondContact CD-OH 3.31Å; P219-I283 HydrophobicContact CG-CG1 4.18Å; P219-I283 HydrophobicContact CG-CG2 4.47Å
220	E	88.9	Confident	87.1	Confident	43 Å²	43	24.6 Å²	24.6	20%	0.201	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-37.4	166.3	-55.1	93.9	109.2	0	0	112.3	L178 K218 I222	L178-E220 HydrophobicContact CD2-CG 3.59Å; K218-E220 WeakPolarHBondContact CB-OE2 3.24Å; K218-E220 HydrophobicContact CD-CB 4.38Å; K218-E220 VanDerWaalsContact CD-OE1 3.3Å; K218-E220 WeakPolarHBondContact CD-OE1 3.44Å; K218-E220 VanDerWaalsContact CE-OE1 3.24Å; K218-E220 WeakPolarHBondContact CE-OE1 3.21Å; K218-E220 HydrophobicContact CG-CB 4.09Å; K218-E220 HydrophobicContact CG-CG 4.5Å; K218-E220 VanDerWaalsContact CG-OE2 3.32Å; K218-E220 WeakPolarHBondContact CG-OE2 3.28Å; K218-E220 IonicContact NZ-OE1 3.6Å; K218-E220 PolarHBondContact O-N 2.98Å; K218-E220 VanDerWaalsContact O-N 3.14Å; E220-I222 VanDerWaalsContact C-N 3.32Å
221	N	91.6	Very high	87.5	Confident	18 Å²	18	24.8 Å²	24.8	10%	0.096	12%	0.118	C	C	.	.	S	Bend	trans	-93.3	8.8	-176.2	-68.6	-15.4	0	0	0	112.7	D216 K218 T233	D216-N221 PolarHBondContact O-ND2 3.47Å; D216-N221 PolarHBondContact OD2-ND2 2.98Å; K218-N221 HydrophobicContact CG-CB 4.19Å; K218-N221 PolarHBondContact O-N 3.4Å; N221-T233 HydrophobicContact CB-CG2 4.41Å; N221-T233 WeakPolarHBondContact O-CG2 3.39Å; N221-T233 PolarHBondContact O-N 3.26Å
222	I	95.6	Very high	87.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	106	170.3	-57.5	172	0	0	0	106.3	L177 I199 K218 E220 I230 I232 I283	L177-I222 HydrophobicContact CB-CB 4.17Å; L177-I222 HydrophobicContact CB-CG2 4.2Å; L177-I222 WeakPolarHBondContact CB-O 3.27Å; L177-I222 HydrophobicContact CD2-CB 4.25Å; L177-I222 HydrophobicContact CD2-CD1 4.32Å; L177-I222 HydrophobicContact CD2-CG2 3.94Å; L177-I222 PolarHBondContact N-O 3.29Å; I199-I222 HydrophobicContact CD1-CD1 3.76Å; I199-I222 HydrophobicContact CG1-CD1 4.12Å; K218-I222 PolarHBondContact O-N 2.78Å; E220-I222 VanDerWaalsContact C-N 3.32Å; I222-I230 HydrophobicContact CG2-CB 3.79Å; I222-I230 HydrophobicContact CG2-CG2 3.6Å; I222-I232 HydrophobicContact CG1-CG1 4.31Å; I222-I283 HydrophobicContact CD1-CD1 4.06Å
223	L	96.1	Very high	88.3	Confident	36 Å²	36	25.6 Å²	25.6	19%	0.188	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	170.8	177	-49.6	-177.7	0	0	0	110.5	V153 A172 G175 E176 I230 Q231 T233	V153-L223 HydrophobicContact CG2-CD1 4.23Å; A172-L223 HydrophobicContact CB-CB 3.5Å; A172-L223 VanDerWaalsContact CB-CB 3.5Å; A172-L223 HydrophobicContact CB-CD1 3.89Å; A172-L223 HydrophobicContact CB-CG 4.35Å; G175-L223 CarbonylContact O-C 3.45Å; G175-L223 VanDerWaalsContact O-CA 3.28Å; G175-L223 WeakPolarHBondContact O-CA 3.07Å; E176-L223 HydrophobicContact CG-CD2 4.09Å; L223-I230 CarbonylContact O-C 2.92Å; L223-I230 VanDerWaalsContact O-CA 3.29Å; L223-I230 WeakPolarHBondContact O-CA 3.31Å; L223-Q231 WeakPolarHBondContact CB-O 3.49Å; L223-Q231 PolarHBondContact N-O 3.44Å; L223-Q231 PolarHBondContact O-N 3.47Å; L223-T233 HydrophobicContact CD1-CG2 3.99Å; L223-T233 HydrophobicContact CD2-CG2 4.33Å; L223-T233 HydrophobicContact CG-CG2 3.88Å
224	L	96.6	Very high	88.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.3	177.1	-65.4	169.6	0	0	0	110.9	A172 K173 N174 G175 L177 Y180 Y195 M228 H229 I230	A172-L224 CarbonylContact C-O 3.51Å; A172-L224 WeakPolarHBondContact CA-O 3.45Å; A172-L224 WeakPolarHBondContact CB-O 3.25Å; K173-L224 PolarHBondContact N-O 3.27Å; N174-L224 HydrophobicContact CB-CB 3.73Å; N174-L224 PolarHBondContact N-O 2.86Å; N174-L224 VanDerWaalsContact N-O 3.09Å; G175-L224 PolarHBondContact O-N 2.8Å; L177-L224 HydrophobicContact CD1-CD1 4.25Å; Y180-L224 HydrophobicContact CD2-CD1 3.67Å; Y180-L224 HydrophobicContact CE2-CD1 3.7Å; Y180-L224 HydrophobicContact CG-CD1 4.31Å; Y195-L224 HydrophobicContact CD1-CD2 4.36Å; Y195-L224 HydrophobicContact CE1-CD2 3.75Å; L224-M228 HydrophobicContact CD1-CE 3.83Å; L224-M228 HydrophobicContact CD1-SD 4.39Å; L224-H229 WeakPolarHBondContact CA-O 3.45Å; L224-I230 HydrophobicContact CD2-CG2 4.12Å
225	N	94.8	Very high	89.4	Confident	29 Å²	29	27.6 Å²	27.6	16%	0.155	13%	0.134	C	C	.	.			trans	-73.2	-169.2	177	73.8	-3.4	0	0	0	112	N174 E227 M228 H229 Q231	N174-N225 PolarHBondContact ND2-O 2.89Å; N225-E227 VanDerWaalsContact C-N 3.31Å; N225-E227 PolarHBondContact ND2-OE2 3.36Å; N225-E227 WeakPolarHBondContact OD1-CA 3.29Å; N225-E227 PolarHBondContact OD1-N 2.99Å; N225-E227 VanDerWaalsContact OD1-N 3.11Å; N225-E227 PolarHBondContact OD1-OE2 3.16Å; N225-M228 PolarHBondContact OD1-N 2.89Å; N225-H229 PolarHBondContact N-O 2.86Å; N225-H229 PolarHBondContact OD1-N 2.82Å; N225-H229 PolarHBondContact OD1-O 2.96Å; N225-Q231 HydrophobicContact CB-CG 4.07Å
226	E	93.9	Very high	89.7	Confident	111 Å²	111	26.4 Å²	26.4	52%	0.519	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-36.1	179.6	-171.5	150	-139	0	0	111.7	K173 N174 M228	K173-E226 HydrophobicContact CD-CB 4.01Å; K173-E226 HydrophobicContact CD-CG 3.97Å; K173-E226 VanDerWaalsContact CD-OE1 3.27Å; K173-E226 WeakPolarHBondContact CD-OE1 3.43Å; K173-E226 WeakPolarHBondContact CD-OE2 3.33Å; K173-E226 IonicContact NZ-OE1 2.61Å; K173-E226 PolarHBondContact NZ-OE1 2.87Å; K173-E226 IonicContact NZ-OE2 3.54Å; K173-E226 PolarHBondContact NZ-OE2 2.9Å; N174-E226 PolarHBondContact ND2-O 2.86Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 3.31Å
227	E	94.9	Very high	89.8	Confident	113 Å²	113	26.4 Å²	26.4	53%	0.528	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.3	-178.3	-57.7	74.5	-163.8	0	0	113.9	N225 P367	N225-E227 VanDerWaalsContact C-N 3.31Å; N225-E227 PolarHBondContact ND2-OE2 3.36Å; N225-E227 WeakPolarHBondContact OD1-CA 3.29Å; N225-E227 PolarHBondContact OD1-N 2.99Å; N225-E227 VanDerWaalsContact OD1-N 3.11Å; N225-E227 PolarHBondContact OD1-OE2 3.16Å; E227-P367 WeakPolarHBondContact O-CD 3.42Å; E227-P367 WeakPolarHBondContact O-CG 3.43Å
228	M	96.1	Very high	89.2	Confident	39 Å²	39	26.5 Å²	26.5	19%	0.192	13%	0.134	C	C	.	.	S	Bend	trans	70.1	14.8	-175.4	-62.1	-73.1	-63	0	0	116.6	N174 Y180 Y195 L224 N225 E226 P367 L370	N174-M228 HydrophobicContact CB-SD 3.91Å; N174-M228 PolarHBondContact ND2-SD 2.92Å; N174-M228 VanDerWaalsContact ND2-SD 3.43Å; Y180-M228 HydrophobicContact CD1-CE 4.33Å; Y180-M228 HydrophobicContact CE1-CE 3.94Å; Y195-M228 WeakPolarHBondContact CE1-O 3.39Å; Y195-M228 PolarHBondContact OH-O 3.05Å; L224-M228 HydrophobicContact CD1-CE 3.83Å; L224-M228 HydrophobicContact CD1-SD 4.39Å; N225-M228 PolarHBondContact OD1-N 2.89Å; E226-M228 VanDerWaalsContact C-N 3.3Å; E226-M228 PolarHBondContact O-N 3.31Å; M228-P367 HydrophobicContact CB-CB 4.15Å; M228-P367 HydrophobicContact CB-CG 4.26Å; M228-L370 HydrophobicContact CE-CD1 3.49Å; M228-L370 VanDerWaalsContact CE-CD1 3.49Å; M228-L370 HydrophobicContact CE-CG 4.21Å
229	H	97.8	Very high	88.4	Confident	20 Å²	20	28.3 Å²	28.3	9%	0.093	14%	0.142	C	C	.	.			trans	-76.8	152.5	165.3	-64.7	-79.4	0	0	0	111.4	F151 E198 L224 N225 L362 Q365	F151-H229 HydrophobicContact CE1-CB 4.37Å; E198-H229 IonicContact OE1-CE1 2.62Å; E198-H229 IonicContact OE1-CG 3.76Å; E198-H229 IonicContact OE1-ND1 2.77Å; E198-H229 PolarHBondContact OE1-ND1 3.04Å; L224-H229 WeakPolarHBondContact CA-O 3.45Å; N225-H229 PolarHBondContact N-O 2.86Å; N225-H229 PolarHBondContact OD1-N 2.82Å; N225-H229 PolarHBondContact OD1-O 2.96Å; H229-L362 PolarHBondContact CE1-O 2.7Å; H229-Q365 PolarHBondContact CE1-O 3.43Å
230	I	97.7	Very high	87.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.7	177.5	70.2	176.2	0	0	0	113.3	F151 Y195 E198 I199 I222 L223 L224 I232	F151-I230 WeakPolarHBondContact CA-O 3.13Å; F151-I230 HydrophobicContact CB-CD1 4.11Å; F151-I230 HydrophobicContact CB-CG1 3.76Å; F151-I230 HydrophobicContact CD1-CG1 3.98Å; F151-I230 HydrophobicContact CG-CD1 4.33Å; F151-I230 HydrophobicContact CG-CG1 3.9Å; Y195-I230 HydrophobicContact CD1-CG2 3.92Å; E198-I230 HydrophobicContact CB-CD1 3.59Å; E198-I230 HydrophobicContact CB-CG1 3.82Å; E198-I230 WeakPolarHBondContact OE2-CG2 3.27Å; E198-I230 PolarHBondContact OE2-N 3.1Å; I199-I230 HydrophobicContact CB-CD1 4.44Å; I199-I230 HydrophobicContact CG1-CD1 3.78Å; I222-I230 HydrophobicContact CG2-CB 3.79Å; I222-I230 HydrophobicContact CG2-CG2 3.6Å; L223-I230 CarbonylContact O-C 2.92Å; L223-I230 VanDerWaalsContact O-CA 3.29Å; L223-I230 WeakPolarHBondContact O-CA 3.31Å; L224-I230 HydrophobicContact CD2-CG2 4.12Å; I230-I232 HydrophobicContact CD1-CD1 4.14Å; I230-I232 HydrophobicContact CD1-CG1 4.06Å
231	Q	96.1	Very high	86.5	Confident	20 Å²	20	36 Å²	36	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	99.4	163.2	-57.3	-156.1	-83.7	0	0	109.3	F152 V153 S170 L223 N225	F152-Q231 PolarHBondContact O-NE2 3.13Å; V153-Q231 HydrophobicContact CG2-CB 3.77Å; S170-Q231 PolarHBondContact OG-NE2 3.17Å; L223-Q231 WeakPolarHBondContact CB-O 3.49Å; L223-Q231 PolarHBondContact N-O 3.44Å; L223-Q231 PolarHBondContact O-N 3.47Å; N225-Q231 HydrophobicContact CB-CG 4.07Å
232	I	94.8	Very high	84.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.5	178.1	-56	-176.3	0	0	0	110.1	F151 F152 V153 A202 H213 L217 I222 I230	F151-I232 PolarHBondContact O-N 2.81Å; F152-I232 HydrophobicContact CD1-CB 3.73Å; F152-I232 HydrophobicContact CD1-CG2 4.35Å; F152-I232 HydrophobicContact CE1-CB 3.84Å; F152-I232 HydrophobicContact CE1-CD1 4.28Å; F152-I232 HydrophobicContact CE1-CG1 4.48Å; F152-I232 HydrophobicContact CE1-CG2 4.18Å; V153-I232 PolarHBondContact N-O 3.4Å; A202-I232 HydrophobicContact CB-CD1 3.65Å; H213-I232 WeakPolarHBondContact NE2-CG2 3.44Å; L217-I232 HydrophobicContact CD1-CD1 4.39Å; L217-I232 HydrophobicContact CD1-CG2 4.32Å; I222-I232 HydrophobicContact CG1-CG1 4.31Å; I230-I232 HydrophobicContact CD1-CD1 4.14Å; I230-I232 HydrophobicContact CD1-CG1 4.06Å
233	T	90.5	Very high	82.3	Confident	26 Å²	26	44 Å²	44	16%	0.16	24%	0.237	C	C	.	.			trans	-133.3	-170.7	-173.2	-161.8	0	0	0	0	113	H213 N221 L223	H213-T233 PolarHBondContact NE2-O 2.77Å; N221-T233 HydrophobicContact CB-CG2 4.41Å; N221-T233 WeakPolarHBondContact O-CG2 3.39Å; N221-T233 PolarHBondContact O-N 3.26Å; L223-T233 HydrophobicContact CD1-CG2 3.99Å; L223-T233 HydrophobicContact CD2-CG2 4.33Å; L223-T233 HydrophobicContact CG-CG2 3.88Å
234	D	81.9	Confident	79.5	Confident	49 Å²	49	49.7 Å²	49.7	26%	0.262	27%	0.268	S	S	.	.			trans	46.5	69.4	-177.6	-157.3	12.1	0	0	0	116.9	K121 G236	K121-D234 IonicContact NZ-OD1 2.7Å; D234-G236 PolarHBondContact O-N 2.67Å; D234-G236 PolarHBondContact OD1-N 2.87Å
235	F	76.3	Confident	76.7	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	8.9	170.9	-63.7	-79.3	0	0	0	114.1	E140 L143 M144 L147 F152 L206 H213 T237 A238	E140-F235 HydrophobicContact CG-CB 4.41Å; L143-F235 HydrophobicContact CD1-CB 4.28Å; L143-F235 HydrophobicContact CD1-CD1 4.24Å; L143-F235 HydrophobicContact CD2-CB 4.09Å; L143-F235 HydrophobicContact CD2-CD1 3.45Å; L143-F235 VanDerWaalsContact CD2-CD1 3.45Å; L143-F235 HydrophobicContact CD2-CE1 4Å; L143-F235 HydrophobicContact CD2-CG 3.74Å; L143-F235 HydrophobicContact CG-CD1 4.5Å; M144-F235 HydrophobicContact CE-CD2 4.39Å; M144-F235 HydrophobicContact CG-CB 4.25Å; M144-F235 HydrophobicContact CG-CD2 3.63Å; M144-F235 HydrophobicContact CG-CE2 4.43Å; M144-F235 HydrophobicContact CG-CG 4.21Å; M144-F235 HydrophobicContact SD-CD2 4.15Å; L147-F235 HydrophobicContact CD1-CD1 4.28Å; L147-F235 HydrophobicContact CD1-CD2 4.19Å; L147-F235 HydrophobicContact CD1-CE1 3.68Å; L147-F235 HydrophobicContact CD1-CE2 3.58Å; L147-F235 HydrophobicContact CD1-CZ 3.3Å; F152-F235 HydrophobicContact CD1-CE2 4.29Å; F152-F235 AromaticContact CD1-CZ 3.56Å; F152-F235 HydrophobicContact CD1-CZ 3.56Å; F152-F235 HydrophobicContact CE1-CE1 4.41Å; F152-F235 AromaticContact CE1-CZ 3.82Å; F152-F235 HydrophobicContact CE1-CZ 3.82Å; F152-F235 HydrophobicContact CG-CZ 4.49Å; L206-F235 HydrophobicContact CD1-CE1 4.23Å; L206-F235 HydrophobicContact CD2-CE1 4.35Å; H213-F235 AromaticContact CD2-CE1 3.66Å; F235-T237 PolarHBondContact O-N 2.68Å; F235-A238 HydrophobicContact CB-CB 4.27Å; F235-A238 HydrophobicContact CD1-CB 4.02Å; F235-A238 PolarHBondContact O-N 3.1Å
236	G	68.1	Low	74.1	Confident	10 Å²	10	60.5 Å²	60.5	10%	0.103	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.4	-178.3	0	0	0	0	0	113.9	Y136 D234	Y136-G236 WeakPolarHBondContact CD1-O 3.47Å; D234-G236 PolarHBondContact O-N 2.67Å; D234-G236 PolarHBondContact OD1-N 2.87Å
237	T	70.4	Confident	71.3	Confident	16 Å²	16	64 Å²	64	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-101	-12.1	178.2	61	0	0	0	0	114.3	R215 F235 V255	R215-T237 PolarHBondContact NE-O 3.25Å; R215-T237 VanDerWaalsContact NE-O 3.15Å; R215-T237 PolarHBondContact NH2-O 2.8Å; F235-T237 PolarHBondContact O-N 2.68Å; T237-V255 HydrophobicContact CG2-CB 4.39Å; T237-V255 HydrophobicContact CG2-CG1 3.92Å
238	A	71.6	Confident	68.5	Low	3 Å²	3	60.8 Å²	60.8	3%	0.025	33%	0.329	C	S	.	.			trans	-63.4	156.2	-173.3	0	0	0	0	0	113.6	R139 L143 F235	R139-A238 WeakPolarHBondContact CD-O 3.44Å; L143-A238 HydrophobicContact CD1-CB 3.71Å; F235-A238 HydrophobicContact CB-CB 4.27Å; F235-A238 HydrophobicContact CD1-CB 4.02Å; F235-A238 PolarHBondContact O-N 3.1Å
239	K	72.6	Confident	65.8	Low	60 Å²	60	61.1 Å²	61.1	26%	0.261	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.6	-172.7	-173.6	-177.2	-179	-174.8	0	111.4	I212 A248	I212-K239 PolarHBondContact N-O 3.4Å; I212-K239 PolarHBondContact O-N 3.07Å; K239-A248 PolarHBondContact NZ-O 2.95Å
240	Q	71.9	Confident	63.1	Low	126 Å²	126	71 Å²	71	59%	0.589	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.8	165.2	-169.6	174.9	7.3	0	0	109.4	I211	I211-Q240 HydrophobicContact CG1-CB 4.39Å; I211-Q240 HydrophobicContact CG1-CG 4.29Å
241	L	66.9	Low	60.4	Low	80 Å²	80	72.4 Å²	72.4	42%	0.419	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-82.7	125.6	174.1	-65.1	171.5	0	0	0	110	G210 I212 K273	G210-L241 WeakPolarHBondContact O-CB 3.35Å; G210-L241 WeakPolarHBondContact O-CG 3.38Å; G210-L241 PolarHBondContact O-N 3.38Å; I212-L241 HydrophobicContact CD1-CD1 4.12Å; I212-L241 HydrophobicContact CD1-CD2 3.84Å; I212-L241 HydrophobicContact CD1-CG 4.05Å; I212-L241 HydrophobicContact CG1-CD1 4.43Å; L241-K273 HydrophobicContact CD1-CG 4.44Å
242	S	55.3	Low	57.3	Low	75 Å²	75	78.8 Å²	78.8	52%	0.524	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-86.9	133.3	169.8	38.3	0	0	0	0	110.6	D244 S245	S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 PolarHBondContact O-N 3.4Å; S242-S245 PolarHBondContact OG-OG 3.31Å
243	S	44.3	Very low	54.6	Low	110 Å²	110	80.6 Å²	80.6	77%	0.769	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.9	179.3	44.4	0	0	0	0	113.2	S245	S243-S245 VanDerWaalsContact C-N 3.32Å; S243-S245 PolarHBondContact O-N 3.27Å
244	D	37.1	Very low	52.2	Low	155 Å²	155	84.3 Å²	84.3	83%	0.829	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	5.4	-160.9	-58.7	5.6	0	0	0	113.4	S242	S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 PolarHBondContact O-N 3.4Å
245	S	37.6	Very low	50.3	Low	44 Å²	44	85.7 Å²	85.7	31%	0.308	46%	0.457	S	S	.	.			trans	-140.1	74.8	-166.8	65.8	0	0	0	0	114.3	S242 S243 Q247 A248	S242-S245 PolarHBondContact OG-OG 3.31Å; S243-S245 VanDerWaalsContact C-N 3.32Å; S243-S245 PolarHBondContact O-N 3.27Å; S245-Q247 PolarHBondContact O-N 2.96Å; S245-A248 PolarHBondContact O-N 2.93Å; S245-A248 WeakPolarHBondContact OG-CB 3.42Å
246	K	39.3	Very low	49.1	Very low	213 Å²	213	86.6 Å²	86.6	93%	0.926	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-7	166.2	-68.9	-171.3	176.1	-174.6	0	114.3
247	Q	35.4	Very low	49	Very low	183 Å²	183	87.9 Å²	87.9	86%	0.855	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-3.4	176.1	-65.5	-174.2	-2.2	0	0	114.8	S245 A249	S245-Q247 PolarHBondContact O-N 2.96Å; Q247-A249 PolarHBondContact O-N 3.35Å
248	A	37.6	Very low	49.5	Very low	47 Å²	47	87.4 Å²	87.4	39%	0.388	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	20.5	179	0	0	0	0	0	114.2	K239 S245	K239-A248 PolarHBondContact NZ-O 2.95Å; S245-A248 PolarHBondContact O-N 2.93Å; S245-A248 WeakPolarHBondContact OG-CB 3.42Å
249	A	39.4	Very low	50.2	Low	46 Å²	46	89.9 Å²	89.9	38%	0.38	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.7	-174.6	0	0	0	0	0	114.1	Q247 A251 S270	Q247-A249 PolarHBondContact O-N 3.35Å; A249-A251 PolarHBondContact O-N 3.42Å; A249-S270 WeakPolarHBondContact O-CB 3.28Å
250	R	39.4	Very low	51.1	Low	228 Å²	228	87.5 Å²	87.5	86%	0.86	47%	0.47	S	S	*	.			trans	-74.7	115.2	-174.1	-66.7	176.9	176.1	157	-0.1	112.4
251	A	41.3	Very low	51.9	Low	28 Å²	28	81.9 Å²	81.9	23%	0.231	44%	0.444	C	S	.	.			trans	-117.5	83	-176.7	0	0	0	0	0	112.7	A249 S253 K269	A249-A251 PolarHBondContact O-N 3.42Å; A251-S253 PolarHBondContact O-N 3.04Å; A251-K269 PolarHBondContact N-O 2.65Å; A251-K269 VanDerWaalsContact N-O 3.16Å
252	N	32.3	Very low	53.1	Low	155 Å²	155	78 Å²	78	83%	0.829	42%	0.424	S	S	*	.			trans	-74.1	49.9	179.5	-75.1	-9.7	0	0	0	114.2
253	S	37.2	Very low	54.9	Low	38 Å²	38	74.8 Å²	74.8	27%	0.266	40%	0.401	S	S	.	.			trans	-150.4	102.2	164.9	46.9	0	0	0	0	111.4	R215 A251 V255	R215-S253 PolarHBondContact NH1-O 3.2Å; R215-S253 PolarHBondContact NH1-OG 3.44Å; A251-S253 PolarHBondContact O-N 3.04Å; S253-V255 PolarHBondContact O-N 3.24Å
254	F	40.4	Very low	57	Low	104 Å²	104	69.9 Å²	69.9	46%	0.456	37%	0.366	S	S	.	.			trans	-73.4	108.3	171.7	-170.7	-91.8	0	0	0	109.1	V261 L266 F303	F254-V261 HydrophobicContact CE2-CG1 4.22Å; F254-V261 HydrophobicContact CE2-CG2 4.38Å; F254-V261 HydrophobicContact CZ-CG2 4.15Å; F254-L266 HydrophobicContact CE2-CD2 3.92Å; F254-F303 AromaticContact CE1-CZ 3.85Å; F254-F303 HydrophobicContact CE1-CZ 3.85Å; F254-F303 HydrophobicContact CE2-CE1 4.43Å; F254-F303 HydrophobicContact CE2-CZ 4.24Å; F254-F303 AromaticContact CZ-CE1 3.68Å; F254-F303 HydrophobicContact CZ-CE1 3.68Å; F254-F303 HydrophobicContact CZ-CE2 4.24Å; F254-F303 AromaticContact CZ-CZ 3.35Å; F254-F303 HydrophobicContact CZ-CZ 3.35Å
255	V	41.8	Very low	59.3	Low	78 Å²	78	63.4 Å²	63.4	47%	0.473	33%	0.331	S	S	.	.			trans	-148.8	105.5	180	-176.2	0	0	0	0	107.4	R215 T237 S253	R215-V255 WeakPolarHBondContact CB-O 3.48Å; T237-V255 HydrophobicContact CG2-CB 4.39Å; T237-V255 HydrophobicContact CG2-CG1 3.92Å; S253-V255 PolarHBondContact O-N 3.24Å
256	G	51.1	Low	61.6	Low	19 Å²	19	63.2 Å²	63.2	20%	0.196	33%	0.327	C	S	.	.	S	Bend	trans	173.7	155.1	179.2	0	0	0	0	0	111.6	R215 D216 A258	R215-G256 VanDerWaalsContact O-CA 3.23Å; R215-G256 WeakPolarHBondContact O-CA 3.36Å; D216-G256 WeakPolarHBondContact OD1-CA 3.48Å; G256-A258 PolarHBondContact O-N 2.95Å
257	T	65.7	Low	63.6	Low	37 Å²	37	57.3 Å²	57.3	23%	0.227	31%	0.309	C	S	.	.			trans	-67.9	119.3	173.1	-65	0	0	0	0	110.1	D216 K218 Q259 Y260	D216-T257 PolarHBondContact OD1-N 2.72Å; K218-T257 WeakPolarHBondContact CD-OG1 3.36Å; K218-T257 WeakPolarHBondContact CE-OG1 3.34Å; K218-T257 PolarHBondContact NZ-OG1 3.1Å; T257-Q259 HydrophobicContact CG2-CB 4.49Å; T257-Q259 PolarHBondContact O-N 2.96Å; T257-Y260 HydrophobicContact CG2-CD2 3.89Å; T257-Y260 HydrophobicContact CG2-CE2 3.65Å; T257-Y260 PolarHBondContact O-N 3.13Å; T257-Y260 VanDerWaalsContact O-N 3.17Å
258	A	80.6	Confident	65.7	Low	6 Å²	6	55.3 Å²	55.3	5%	0.05	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-50.8	-26.5	-169.8	0	0	0	0	0	116.4	G256 Y260 E299 I302 F303 I306	G256-A258 PolarHBondContact O-N 2.95Å; A258-Y260 PolarHBondContact O-N 3.34Å; A258-E299 HydrophobicContact CB-CB 4.19Å; A258-E299 HydrophobicContact CB-CG 3.99Å; A258-I302 HydrophobicContact CB-CG2 4.39Å; A258-I302 WeakPolarHBondContact O-CG2 3.5Å; A258-F303 HydrophobicContact CB-CE1 3.61Å; A258-F303 HydrophobicContact CB-CZ 4Å; A258-I306 WeakPolarHBondContact O-CD1 3.49Å
259	Q	87.5	Confident	67.5	Low	55 Å²	55	59 Å²	59	26%	0.257	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-73.8	-20.2	-175.2	-64.7	167.5	-49.2	0	0	114.4	T257 P292 I302	T257-Q259 HydrophobicContact CG2-CB 4.49Å; T257-Q259 PolarHBondContact O-N 2.96Å; Q259-P292 HydrophobicContact CB-CB 4.25Å; Q259-P292 HydrophobicContact CB-CG 4.17Å; Q259-P292 HydrophobicContact CG-CG 4.22Å; Q259-I302 HydrophobicContact CG-CD1 4.08Å
260	Y	90.9	Very high	69.4	Low	11 Å²	11	58.1 Å²	58.1	4%	0.043	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-113.5	3.6	-177.5	-41.7	-87.9	0	0	0	112.6	K218 P219 T257 A258 C282 I283 Q286 P292	K218-Y260 HydrophobicContact CB-CD1 4.4Å; K218-Y260 HydrophobicContact CB-CD2 3.58Å; K218-Y260 HydrophobicContact CB-CE1 4.34Å; K218-Y260 HydrophobicContact CB-CE2 3.48Å; K218-Y260 VanDerWaalsContact CB-CE2 3.48Å; K218-Y260 HydrophobicContact CB-CG 4.05Å; K218-Y260 HydrophobicContact CD-CD2 4.46Å; K218-Y260 HydrophobicContact CD-CE2 4.36Å; P219-Y260 WeakPolarHBondContact CD-OH 3.31Å; T257-Y260 HydrophobicContact CG2-CD2 3.89Å; T257-Y260 HydrophobicContact CG2-CE2 3.65Å; T257-Y260 PolarHBondContact O-N 3.13Å; T257-Y260 VanDerWaalsContact O-N 3.17Å; A258-Y260 PolarHBondContact O-N 3.34Å; Y260-C282 HydrophobicContact CD1-CB 3.79Å; Y260-C282 HydrophobicContact CE1-CB 4.5Å; Y260-I283 HydrophobicContact CD1-CG1 4.31Å; Y260-I283 HydrophobicContact CE1-CG1 4.36Å; Y260-Q286 PolarHBondContact OH-OE1 2.76Å; Y260-P292 HydrophobicContact CE1-CB 4.44Å
261	V	89.4	Confident	71.4	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.042	26%	0.264	C	S	.	.			trans	-68.2	132.7	178.4	173.9	0	0	0	0	109.8	F254 L265 L266 W278	F254-V261 HydrophobicContact CE2-CG1 4.22Å; F254-V261 HydrophobicContact CE2-CG2 4.38Å; F254-V261 HydrophobicContact CZ-CG2 4.15Å; V261-L265 HydrophobicContact CG1-CB 4.25Å; V261-L265 HydrophobicContact CG1-CD2 4.29Å; V261-L265 HydrophobicContact CG1-CG 4.44Å; V261-L266 HydrophobicContact CG1-CD1 4.28Å; V261-L266 HydrophobicContact CG1-CD2 3.82Å; V261-L266 HydrophobicContact CG1-CG 3.79Å; V261-W278 PolarHBondContact O-NE1 2.87Å
262	S	91.6	Very high	73.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.			trans	-83	151.9	178.2	67.6	0	0	0	0	112.7	E264 L265 S275 W278	S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 WeakPolarHBondContact CB-OE1 3.23Å; S262-E264 WeakPolarHBondContact CB-OE2 3.48Å; S262-E264 PolarHBondContact O-N 2.97Å; S262-E264 PolarHBondContact OG-OE1 2.8Å; S262-E264 PolarHBondContact OG-OE2 3.27Å; S262-L265 PolarHBondContact O-N 2.68Å; S262-L265 VanDerWaalsContact O-N 3.13Å; S262-S275 WeakPolarHBondContact OG-CB 3.39Å; S262-S275 PolarHBondContact OG-OG 2.61Å; S262-W278 VanDerWaalsContact CA-CD1 3.46Å
263	P	92.4	Very high	76.3	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-38.2	-174	21.8	-32.7	0	0	0	113	L265 L266 T267 W278 I306 L331	P263-L265 PolarHBondContact O-N 3.45Å; P263-L266 WeakPolarHBondContact O-CA 3.24Å; P263-L266 WeakPolarHBondContact O-CB 3.33Å; P263-L266 PolarHBondContact O-N 3.31Å; P263-T267 PolarHBondContact O-N 3.43Å; P263-T267 PolarHBondContact O-OG1 3.09Å; P263-T267 VanDerWaalsContact O-OG1 3.1Å; P263-W278 HydrophobicContact CG-CE3 4.26Å; P263-W278 HydrophobicContact CG-CH2 4.16Å; P263-W278 HydrophobicContact CG-CZ3 4.01Å; P263-I306 HydrophobicContact CB-CG2 4.04Å; P263-L331 HydrophobicContact CB-CD2 4.07Å; P263-L331 HydrophobicContact CG-CD2 3.96Å
264	E	89.3	Confident	79	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-27.4	177.9	66.9	-79.4	-178.6	0	0	113.6	S262 L266 E268 K269 S270 S275 R336	S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 WeakPolarHBondContact CB-OE1 3.23Å; S262-E264 WeakPolarHBondContact CB-OE2 3.48Å; S262-E264 PolarHBondContact O-N 2.97Å; S262-E264 PolarHBondContact OG-OE1 2.8Å; S262-E264 PolarHBondContact OG-OE2 3.27Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-E268 WeakPolarHBondContact O-CA 3.3Å; E264-E268 WeakPolarHBondContact O-CB 3.32Å; E264-E268 PolarHBondContact O-N 2.63Å; E264-K269 PolarHBondContact O-N 2.96Å; E264-K269 VanDerWaalsContact O-N 3.11Å; E264-S270 CarbonylContact C-O 3.59Å; E264-S270 WeakPolarHBondContact CG-O 3.48Å; E264-S275 WeakPolarHBondContact OE1-CA 3.33Å; E264-S275 VanDerWaalsContact OE1-CB 3.31Å; E264-S275 WeakPolarHBondContact OE1-CB 3.47Å; E264-S275 PolarHBondContact OE1-OG 2.93Å; E264-R336 IonicContact OE1-CZ 3.51Å; E264-R336 IonicContact OE1-NH1 2.91Å; E264-R336 PolarHBondContact OE1-NH1 3.08Å; E264-R336 IonicContact OE1-NH2 2.64Å; E264-R336 IonicContact OE2-CZ 3.22Å; E264-R336 IonicContact OE2-NH1 2.75Å; E264-R336 PolarHBondContact OE2-NH1 3.01Å; E264-R336 IonicContact OE2-NH2 2.75Å; E264-R336 PolarHBondContact OE2-NH2 2.93Å
265	L	85.9	Confident	81.5	Confident	19 Å²	19	36.8 Å²	36.8	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-74.9	-23.2	174.5	-173	55.4	0	0	0	112.1	R215 V261 S262 P263 A271	R215-L265 HydrophobicContact CG-CD2 4.18Å; V261-L265 HydrophobicContact CG1-CB 4.25Å; V261-L265 HydrophobicContact CG1-CD2 4.29Å; V261-L265 HydrophobicContact CG1-CG 4.44Å; S262-L265 PolarHBondContact O-N 2.68Å; S262-L265 VanDerWaalsContact O-N 3.13Å; P263-L265 PolarHBondContact O-N 3.45Å; L265-A271 HydrophobicContact CD1-CB 4.35Å
266	L	85.3	Confident	84	Confident	41 Å²	41	33.1 Å²	33.1	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-85.4	-43	175	-61.3	170.4	0	0	0	112.1	F254 V261 P263 E264 F303 I306 I307	F254-L266 HydrophobicContact CE2-CD2 3.92Å; V261-L266 HydrophobicContact CG1-CD1 4.28Å; V261-L266 HydrophobicContact CG1-CD2 3.82Å; V261-L266 HydrophobicContact CG1-CG 3.79Å; P263-L266 WeakPolarHBondContact O-CA 3.24Å; P263-L266 WeakPolarHBondContact O-CB 3.33Å; P263-L266 PolarHBondContact O-N 3.31Å; E264-L266 VanDerWaalsContact C-N 3.31Å; L266-F303 HydrophobicContact CD1-CB 3.93Å; L266-F303 HydrophobicContact CD1-CD1 3.96Å; L266-F303 HydrophobicContact CD1-CG 4.19Å; L266-F303 HydrophobicContact CD2-CB 4.26Å; L266-F303 HydrophobicContact CD2-CD1 3.62Å; L266-F303 HydrophobicContact CD2-CD2 4.3Å; L266-F303 HydrophobicContact CD2-CE1 4.02Å; L266-F303 HydrophobicContact CD2-CG 3.8Å; L266-F303 HydrophobicContact CG-CD1 4.46Å; L266-I306 HydrophobicContact CD1-CB 4.05Å; L266-I306 HydrophobicContact CD1-CD1 4.38Å; L266-I306 HydrophobicContact CD1-CG2 3.64Å; L266-I307 HydrophobicContact CB-CG2 4.22Å; L266-I307 HydrophobicContact CD1-CG2 3.95Å
267	T	82.1	Confident	86.1	Confident	89 Å²	89	32.2 Å²	32.2	55%	0.546	17%	0.171	S	C	.	.	H	α-helix	trans	-84.1	-53.8	-175.2	55.1	0	0	0	0	112.6	P263 I307	P263-T267 PolarHBondContact O-N 3.43Å; P263-T267 PolarHBondContact O-OG1 3.09Å; P263-T267 VanDerWaalsContact O-OG1 3.1Å; T267-I307 HydrophobicContact CG2-CG2 4.26Å
268	E	77.9	Confident	87.6	Confident	140 Å²	140	30.5 Å²	30.5	65%	0.654	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.9	-171.9	-65.5	172.5	-151.3	0	0	113	E264 S270	E264-E268 WeakPolarHBondContact O-CA 3.3Å; E264-E268 WeakPolarHBondContact O-CB 3.32Å; E264-E268 PolarHBondContact O-N 2.63Å; E268-S270 VanDerWaalsContact C-N 3.26Å; E268-S270 WeakPolarHBondContact CB-OG 3.5Å; E268-S270 PolarHBondContact O-N 3.45Å
269	K	76.3	Confident	88.3	Confident	126 Å²	126	30.2 Å²	30.2	55%	0.548	16%	0.158	S	C	.	.	S	Bend	trans	63.5	33.1	-177.3	-53.3	174	-176	173	0	112.7	A251 E264	A251-K269 PolarHBondContact N-O 2.65Å; A251-K269 VanDerWaalsContact N-O 3.16Å; E264-K269 PolarHBondContact O-N 2.96Å; E264-K269 VanDerWaalsContact O-N 3.11Å
270	S	78.9	Confident	88.8	Confident	26 Å²	26	27.6 Å²	27.6	18%	0.182	15%	0.146	C	C	.	.			trans	-128.7	132.1	175.8	34.6	0	0	0	0	110.1	A249 E264 E268	A249-S270 WeakPolarHBondContact O-CB 3.28Å; E264-S270 CarbonylContact C-O 3.59Å; E264-S270 WeakPolarHBondContact CG-O 3.48Å; E268-S270 VanDerWaalsContact C-N 3.26Å; E268-S270 WeakPolarHBondContact CB-OG 3.5Å; E268-S270 PolarHBondContact O-N 3.45Å
271	A	80.9	Confident	89.1	Confident	18 Å²	18	27.1 Å²	27.1	15%	0.149	14%	0.144	C	C	.	.			trans	-102.9	145.5	167.9	0	0	0	0	0	109.8	L265	L265-A271 HydrophobicContact CD1-CB 4.35Å
272	C	87.4	Confident	89.5	Confident	43 Å²	43	26.8 Å²	26.8	29%	0.291	14%	0.142	S	C	.	.			trans	-129.4	178.9	179.5	68.1	0	0	0	0	110	I212 S274 S275	I212-C272 WeakPolarHBondContact CG2-O 3.38Å; C272-S274 PolarHBondContact O-N 2.82Å; C272-S274 VanDerWaalsContact SG-CB 3.54Å; C272-S274 PolarHBondContact SG-N 3.29Å; C272-S274 VanDerWaalsContact SG-N 3.43Å; C272-S275 PolarHBondContact N-OG 3.27Å; C272-S275 WeakPolarHBondContact O-CB 3.24Å; C272-S275 PolarHBondContact O-N 3.38Å; C272-S275 PolarHBondContact O-OG 3.48Å; C272-S275 PolarHBondContact SG-OG 3.2Å
273	K	90.8	Very high	89.8	Confident	40 Å²	40	26.8 Å²	26.8	17%	0.174	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.4	173.5	-69.3	-177.9	-173.9	-175.2	0	111.7	H207 I212 L241 S275 D276 E340	H207-K273 HydrophobicContact CB-CD 4.04Å; H207-K273 PolarHBondContact CE1-O 2.86Å; H207-K273 PolarHBondContact NE2-O 2.98Å; H207-K273 WeakPolarHBondContact O-CE 3.28Å; H207-K273 PolarHBondContact O-NZ 3.44Å; I212-K273 HydrophobicContact CG1-CG 4.02Å; L241-K273 HydrophobicContact CD1-CG 4.44Å; K273-S275 PolarHBondContact O-N 2.82Å; K273-S275 VanDerWaalsContact O-N 3.11Å; K273-D276 WeakPolarHBondContact O-CB 3.48Å; K273-D276 PolarHBondContact O-N 3.09Å; K273-E340 VanDerWaalsContact CD-OE1 3.32Å; K273-E340 WeakPolarHBondContact CD-OE1 3.34Å; K273-E340 WeakPolarHBondContact CE-OE1 3.25Å; K273-E340 IonicContact NZ-OE1 3.14Å; K273-E340 PolarHBondContact NZ-OE1 3.06Å
274	S	93.2	Very high	90	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-14.3	177.2	-150.2	0	0	0	0	114	C272 D276 L277 W278 P333 R336	C272-S274 PolarHBondContact O-N 2.82Å; C272-S274 VanDerWaalsContact SG-CB 3.54Å; C272-S274 PolarHBondContact SG-N 3.29Å; C272-S274 VanDerWaalsContact SG-N 3.43Å; S274-D276 VanDerWaalsContact C-N 3.28Å; S274-D276 PolarHBondContact O-N 3.47Å; S274-L277 PolarHBondContact O-N 3.45Å; S274-W278 PolarHBondContact O-N 3.27Å; S274-P333 VanDerWaalsContact CB-O 3.25Å; S274-P333 WeakPolarHBondContact CB-O 3.4Å; S274-P333 PolarHBondContact OG-O 3.12Å; S274-R336 WeakPolarHBondContact O-CD 3.38Å; S274-R336 PolarHBondContact O-NH1 3.29Å; S274-R336 WeakPolarHBondContact OG-CB 3.41Å; S274-R336 WeakPolarHBondContact OG-CD 3.46Å
275	S	92.9	Very high	90.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.6	-20.7	171.9	-47.5	0	0	0	0	112.8	S214 S262 E264 C272 K273	S214-S275 VanDerWaalsContact CB-C 3.4Å; S214-S275 VanDerWaalsContact CB-O 3.28Å; S214-S275 WeakPolarHBondContact CB-O 3.33Å; S214-S275 PolarHBondContact OG-O 3.27Å; S262-S275 WeakPolarHBondContact OG-CB 3.39Å; S262-S275 PolarHBondContact OG-OG 2.61Å; E264-S275 WeakPolarHBondContact OE1-CA 3.33Å; E264-S275 VanDerWaalsContact OE1-CB 3.31Å; E264-S275 WeakPolarHBondContact OE1-CB 3.47Å; E264-S275 PolarHBondContact OE1-OG 2.93Å; C272-S275 PolarHBondContact N-OG 3.27Å; C272-S275 WeakPolarHBondContact O-CB 3.24Å; C272-S275 PolarHBondContact O-N 3.38Å; C272-S275 PolarHBondContact O-OG 3.48Å; C272-S275 PolarHBondContact SG-OG 3.2Å; K273-S275 PolarHBondContact O-N 2.82Å; K273-S275 VanDerWaalsContact O-N 3.11Å
276	D	93.6	Very high	90.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-75.2	-36.4	168.4	-74.9	-55.7	0	0	0	111.7	L203 H207 H213 S214 K273 S274 W278 A279 L280	L203-D276 HydrophobicContact CD1-CB 4.21Å; L203-D276 HydrophobicContact CD2-CB 3.97Å; H207-D276 IonicContact CD2-OD2 2.9Å; H207-D276 IonicContact CE1-OD2 3.22Å; H207-D276 IonicContact NE2-OD2 2.68Å; H207-D276 PolarHBondContact NE2-OD2 3.44Å; H213-D276 VanDerWaalsContact CB-OD1 3.31Å; H213-D276 WeakPolarHBondContact CB-OD1 3.42Å; H213-D276 PolarHBondContact N-OD1 2.77Å; H213-D276 PolarHBondContact N-OD2 1.98Å; H213-D276 VanDerWaalsContact N-OD2 3.11Å; S214-D276 WeakPolarHBondContact CA-OD1 3.14Å; S214-D276 WeakPolarHBondContact CB-OD1 3.35Å; S214-D276 PolarHBondContact N-OD1 2.74Å; K273-D276 WeakPolarHBondContact O-CB 3.48Å; K273-D276 PolarHBondContact O-N 3.09Å; S274-D276 VanDerWaalsContact C-N 3.28Å; S274-D276 PolarHBondContact O-N 3.47Å; D276-W278 VanDerWaalsContact C-N 3.35Å; D276-A279 PolarHBondContact O-N 3.32Å; D276-L280 PolarHBondContact O-N 3.01Å
277	L	96.6	Very high	91.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-34.4	-179.4	-58.3	174.8	0	0	0	111.9	S274 L280 G281 L328 R336 C339 L348	S274-L277 PolarHBondContact O-N 3.45Å; L277-L280 WeakPolarHBondContact O-CB 3.48Å; L277-L280 PolarHBondContact O-N 2.86Å; L277-G281 PolarHBondContact O-N 3.21Å; L277-L328 HydrophobicContact CB-CD2 4.04Å; L277-R336 HydrophobicContact CB-CB 4.37Å; L277-R336 HydrophobicContact CD1-CB 4.41Å; L277-C339 HydrophobicContact CD1-CB 3.94Å; L277-C339 VanDerWaalsContact CD1-N 3.28Å; L277-L348 HydrophobicContact CD2-CD2 4.16Å
278	W	96.5	Very high	91.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-47.2	168.7	177.9	-86.6	0	0	0	112	V261 S262 P263 S274 D276 L280 G281 C282 F294 I306 L309 L329 L331	V261-W278 PolarHBondContact O-NE1 2.87Å; S262-W278 VanDerWaalsContact CA-CD1 3.46Å; P263-W278 HydrophobicContact CG-CE3 4.26Å; P263-W278 HydrophobicContact CG-CH2 4.16Å; P263-W278 HydrophobicContact CG-CZ3 4.01Å; S274-W278 PolarHBondContact O-N 3.27Å; D276-W278 VanDerWaalsContact C-N 3.35Å; W278-L280 VanDerWaalsContact C-N 3.34Å; W278-L280 PolarHBondContact O-N 2.81Å; W278-G281 PolarHBondContact O-N 3.37Å; W278-G281 VanDerWaalsContact O-N 3.12Å; W278-C282 PolarHBondContact O-N 2.98Å; W278-F294 AromaticContact CE2-CE2 3.94Å; W278-F294 AromaticContact CH2-CE2 3.95Å; W278-F294 HydrophobicContact CH2-CE2 3.95Å; W278-F294 AromaticContact CH2-CZ 3.77Å; W278-F294 HydrophobicContact CH2-CZ 3.77Å; W278-F294 HydrophobicContact CZ2-CD2 4.1Å; W278-F294 AromaticContact CZ2-CE2 3.27Å; W278-F294 HydrophobicContact CZ2-CE2 3.27Å; W278-F294 AromaticContact CZ2-CZ 3.56Å; W278-F294 HydrophobicContact CZ2-CZ 3.56Å; W278-I306 HydrophobicContact CH2-CG2 4.45Å; W278-I306 HydrophobicContact CZ2-CB 4.46Å; W278-I306 HydrophobicContact CZ2-CG1 4.4Å; W278-I306 HydrophobicContact CZ2-CG2 3.79Å; W278-L309 HydrophobicContact CH2-CD1 3.84Å; W278-L309 HydrophobicContact CZ3-CD1 4.17Å; W278-L329 HydrophobicContact CD2-CD2 3.79Å; W278-L329 HydrophobicContact CE3-CB 4.39Å; W278-L329 HydrophobicContact CE3-CD2 3.9Å; W278-L329 HydrophobicContact CG-CD2 4.25Å; W278-L329 HydrophobicContact CH2-CD2 4.47Å; W278-L329 HydrophobicContact CZ2-CD2 4.36Å; W278-L329 HydrophobicContact CZ3-CB 4.14Å; W278-L329 HydrophobicContact CZ3-CD2 4.25Å; W278-L329 WeakPolarHBondContact CZ3-O 3.41Å; W278-L329 WeakPolarHBondContact O-CD2 3.39Å; W278-L331 HydrophobicContact CH2-CD2 4.29Å; W278-L331 HydrophobicContact CZ3-CD2 4.47Å
279	A	95.6	Very high	92.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-38.2	177.9	0	0	0	0	0	111.9	L217 D276 C282 I283	L217-A279 HydrophobicContact CB-CB 3.99Å; L217-A279 HydrophobicContact CD2-CB 4.06Å; L217-A279 HydrophobicContact CG-CB 4.39Å; D276-A279 PolarHBondContact O-N 3.32Å; A279-C282 PolarHBondContact O-N 2.89Å; A279-I283 WeakPolarHBondContact O-CD1 3.48Å; A279-I283 VanDerWaalsContact O-CG1 3.24Å; A279-I283 WeakPolarHBondContact O-CG1 3.47Å; A279-I283 PolarHBondContact O-N 3.31Å
280	L	97.3	Very high	92.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.7	-46.8	169	174.7	65.9	0	0	0	111.3	I199 V200 L203 D276 L277 W278 C282 I283 I284 L328 L348	I199-L280 HydrophobicContact CB-CD1 4.14Å; I199-L280 HydrophobicContact CG2-CD1 3.77Å; V200-L280 HydrophobicContact CG2-CD2 3.72Å; L203-L280 HydrophobicContact CD1-CB 4.28Å; L203-L280 HydrophobicContact CD1-CD2 4.46Å; D276-L280 PolarHBondContact O-N 3.01Å; L277-L280 WeakPolarHBondContact O-CB 3.48Å; L277-L280 PolarHBondContact O-N 2.86Å; W278-L280 VanDerWaalsContact C-N 3.34Å; W278-L280 PolarHBondContact O-N 2.81Å; L280-C282 PolarHBondContact O-N 3.23Å; L280-I283 PolarHBondContact O-N 3.46Å; L280-I283 VanDerWaalsContact O-N 3.12Å; L280-I284 HydrophobicContact CD1-CD1 3.84Å; L280-I284 HydrophobicContact CD1-CG1 4.01Å; L280-I284 HydrophobicContact CD2-CD1 4.46Å; L280-I284 HydrophobicContact CG-CD1 3.8Å; L280-I284 HydrophobicContact CG-CG1 4.35Å; L280-I284 WeakPolarHBondContact O-CG1 3.08Å; L280-I284 PolarHBondContact O-N 3.14Å; L280-L328 HydrophobicContact CD2-CD1 4.12Å; L280-L328 HydrophobicContact CD2-CD2 4.35Å; L280-L328 HydrophobicContact CG-CD1 4.09Å; L280-L348 HydrophobicContact CD2-CD2 4.43Å
281	G	97.9	Very high	93.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.8	-45.6	174.9	0	0	0	0	0	113.1	L277 W278 I283 I284 Y285	L277-G281 PolarHBondContact O-N 3.21Å; W278-G281 PolarHBondContact O-N 3.37Å; W278-G281 VanDerWaalsContact O-N 3.12Å; G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.91Å; G281-I284 PolarHBondContact O-N 3.16Å; G281-Y285 WeakPolarHBondContact O-CB 3.31Å; G281-Y285 PolarHBondContact O-N 2.9Å
282	C	97.4	Very high	93.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.1	-37.5	174	-73.1	0	0	0	0	113	Y260 W278 A279 L280 Q286 P293	Y260-C282 HydrophobicContact CD1-CB 3.79Å; Y260-C282 HydrophobicContact CE1-CB 4.5Å; W278-C282 PolarHBondContact O-N 2.98Å; A279-C282 PolarHBondContact O-N 2.89Å; L280-C282 PolarHBondContact O-N 3.23Å; C282-Q286 WeakPolarHBondContact O-CB 3.06Å; C282-Q286 PolarHBondContact O-N 2.97Å; C282-P293 HydrophobicContact CB-CG 4.26Å
283	I	96.8	Very high	94.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-70.5	-45.8	178.4	-68.9	161.4	0	0	0	110.8	I199 L217 P219 I222 Y260 A279 L280 G281 Y285 Q286 L287	I199-I283 HydrophobicContact CD1-CG2 4.01Å; L217-I283 HydrophobicContact CD2-CD1 4.27Å; L217-I283 HydrophobicContact CG-CD1 3.99Å; P219-I283 HydrophobicContact CG-CG1 4.18Å; P219-I283 HydrophobicContact CG-CG2 4.47Å; I222-I283 HydrophobicContact CD1-CD1 4.06Å; Y260-I283 HydrophobicContact CD1-CG1 4.31Å; Y260-I283 HydrophobicContact CE1-CG1 4.36Å; A279-I283 WeakPolarHBondContact O-CD1 3.48Å; A279-I283 VanDerWaalsContact O-CG1 3.24Å; A279-I283 WeakPolarHBondContact O-CG1 3.47Å; A279-I283 PolarHBondContact O-N 3.31Å; L280-I283 PolarHBondContact O-N 3.46Å; L280-I283 VanDerWaalsContact O-N 3.12Å; G281-I283 VanDerWaalsContact C-N 3.33Å; G281-I283 PolarHBondContact O-N 2.91Å; I283-Y285 VanDerWaalsContact C-N 3.32Å; I283-Y285 PolarHBondContact O-N 3.17Å; I283-Q286 CarbonylContact O-C 3.52Å; I283-Q286 PolarHBondContact O-N 3.43Å; I283-Q286 VanDerWaalsContact O-N 3.09Å; I283-L287 HydrophobicContact CG2-CD1 4.31Å; I283-L287 HydrophobicContact CG2-CG 4.38Å; I283-L287 WeakPolarHBondContact O-CG 3.31Å; I283-L287 PolarHBondContact O-N 3.05Å
284	I	97.9	Very high	94.3	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.8	-45.2	176.8	-65.1	170.7	0	0	0	110.1	T192 L280 G281 Q286 L287 V288 L324 V325 L328	T192-I284 HydrophobicContact CG2-CG2 4.47Å; L280-I284 HydrophobicContact CD1-CD1 3.84Å; L280-I284 HydrophobicContact CD1-CG1 4.01Å; L280-I284 HydrophobicContact CD2-CD1 4.46Å; L280-I284 HydrophobicContact CG-CD1 3.8Å; L280-I284 HydrophobicContact CG-CG1 4.35Å; L280-I284 WeakPolarHBondContact O-CG1 3.08Å; L280-I284 PolarHBondContact O-N 3.14Å; G281-I284 PolarHBondContact O-N 3.16Å; I284-Q286 VanDerWaalsContact C-N 3.32Å; I284-Q286 PolarHBondContact O-N 2.95Å; I284-L287 PolarHBondContact O-N 3.14Å; I284-V288 PolarHBondContact O-N 2.81Å; I284-L324 HydrophobicContact CD1-CD2 3.82Å; I284-L324 HydrophobicContact CD1-CG 4.24Å; I284-V325 HydrophobicContact CB-CG2 3.92Å; I284-V325 HydrophobicContact CG2-CG2 3.59Å; I284-L328 HydrophobicContact CD1-CD1 3.69Å
285	Y	97.5	Very high	94	Very high	14 Å²	14	7.6 Å²	7.6	6%	0.055	4%	0.04	C	C	.	.	H	α-helix	trans	-54.8	-48.2	172.7	-177.6	-77.6	0	0	0	111.5	G281 I283 L287 V288 A289 L291 P293 Y311 E312 F313 P314 F317 V325	G281-Y285 WeakPolarHBondContact O-CB 3.31Å; G281-Y285 PolarHBondContact O-N 2.9Å; I283-Y285 VanDerWaalsContact C-N 3.32Å; I283-Y285 PolarHBondContact O-N 3.17Å; Y285-L287 PolarHBondContact O-N 2.67Å; Y285-V288 PolarHBondContact O-N 3.23Å; Y285-A289 HydrophobicContact CD1-CB 4.07Å; Y285-A289 HydrophobicContact CE1-CB 3.57Å; Y285-A289 WeakPolarHBondContact O-CB 3.35Å; Y285-A289 PolarHBondContact O-N 3.25Å; Y285-L291 WeakPolarHBondContact CD1-O 3.45Å; Y285-L291 WeakPolarHBondContact CE1-O 3.26Å; Y285-P293 HydrophobicContact CD1-CB 3.74Å; Y285-P293 VanDerWaalsContact CD1-CD 3.46Å; Y285-P293 HydrophobicContact CD1-CG 4.02Å; Y285-P293 HydrophobicContact CD2-CB 4.02Å; Y285-P293 HydrophobicContact CE1-CB 3.96Å; Y285-P293 HydrophobicContact CE2-CB 4.21Å; Y285-P293 HydrophobicContact CG-CB 3.81Å; Y285-P293 HydrophobicContact CG-CG 3.99Å; Y285-Y311 HydrophobicContact CD2-CD2 4.24Å; Y285-Y311 HydrophobicContact CD2-CE2 4.16Å; Y285-Y311 HydrophobicContact CE2-CD2 4.01Å; Y285-Y311 HydrophobicContact CE2-CE2 4.24Å; Y285-E312 WeakPolarHBondContact CE2-O 3.37Å; Y285-E312 PolarHBondContact OH-O 2.58Å; Y285-F313 AromaticContact CD2-CD1 3.96Å; Y285-F313 HydrophobicContact CD2-CD1 3.96Å; Y285-F313 AromaticContact CD2-CE1 3.83Å; Y285-F313 HydrophobicContact CD2-CE1 3.83Å; Y285-F313 AromaticContact CE2-CD1 3.77Å; Y285-F313 HydrophobicContact CE2-CD1 3.77Å; Y285-F313 HydrophobicContact CE2-CE1 4.1Å; Y285-F313 HydrophobicContact CE2-CG 4.33Å; Y285-P314 WeakPolarHBondContact OH-CD 3.45Å; Y285-F317 AromaticContact CD2-CE2 3.81Å; Y285-F317 HydrophobicContact CD2-CE2 3.81Å; Y285-F317 HydrophobicContact CD2-CZ 4.21Å; Y285-F317 HydrophobicContact CE2-CE2 4.08Å; Y285-F317 HydrophobicContact CG-CE2 4.24Å; Y285-V325 HydrophobicContact CD2-CG1 4.33Å
286	Q	95.3	Very high	93.4	Very high	8 Å²	8	9.5 Å²	9.5	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-68.4	-31	-178.7	-174.8	176.2	8.9	0	0	114.1	I181 Y260 C282 I283 I284 V288 G290 L291	I181-Q286 HydrophobicContact CD1-CG 4.32Å; I181-Q286 HydrophobicContact CG2-CG 4.32Å; Y260-Q286 PolarHBondContact OH-OE1 2.76Å; C282-Q286 WeakPolarHBondContact O-CB 3.06Å; C282-Q286 PolarHBondContact O-N 2.97Å; I283-Q286 CarbonylContact O-C 3.52Å; I283-Q286 PolarHBondContact O-N 3.43Å; I283-Q286 VanDerWaalsContact O-N 3.09Å; I284-Q286 VanDerWaalsContact C-N 3.32Å; I284-Q286 PolarHBondContact O-N 2.95Å; Q286-V288 VanDerWaalsContact C-N 3.32Å; Q286-G290 CarbonylContact O-C 3.53Å; Q286-G290 WeakPolarHBondContact O-CA 3.38Å; Q286-G290 PolarHBondContact O-N 2.95Å; Q286-L291 WeakPolarHBondContact CA-O 3.43Å
287	L	94.4	Very high	92.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.6	-41.1	174.3	-70	175.4	0	0	0	110.8	L177 I181 F187 T192 I283 I284 Y285	L177-L287 HydrophobicContact CD2-CD2 4.4Å; I181-L287 HydrophobicContact CD1-CD2 3.79Å; I181-L287 HydrophobicContact CG1-CD2 4Å; F187-L287 HydrophobicContact CB-CB 4.48Å; F187-L287 HydrophobicContact CD1-CD2 4.37Å; F187-L287 HydrophobicContact CD2-CD2 3.75Å; F187-L287 HydrophobicContact CE1-CD2 4.35Å; F187-L287 HydrophobicContact CE2-CD2 3.71Å; F187-L287 HydrophobicContact CG-CD2 4.11Å; F187-L287 HydrophobicContact CZ-CD2 4.03Å; F187-L287 PolarHBondContact N-O 3.14Å; T192-L287 HydrophobicContact CG2-CB 4.02Å; T192-L287 HydrophobicContact CG2-CD1 4.42Å; I283-L287 HydrophobicContact CG2-CD1 4.31Å; I283-L287 HydrophobicContact CG2-CG 4.38Å; I283-L287 WeakPolarHBondContact O-CG 3.31Å; I283-L287 PolarHBondContact O-N 3.05Å; I284-L287 PolarHBondContact O-N 3.14Å; Y285-L287 PolarHBondContact O-N 2.67Å
288	V	93.5	Very high	91.1	Very high	7 Å²	7	15.7 Å²	15.7	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-80.9	-39.6	-179.2	-178.4	0	0	0	0	112.8	S186 T192 I284 Y285 Q286 F317 F318 A321	S186-V288 VanDerWaalsContact CB-O 3.25Å; S186-V288 WeakPolarHBondContact CB-O 3.48Å; T192-V288 HydrophobicContact CG2-CG2 3.58Å; I284-V288 PolarHBondContact O-N 2.81Å; Y285-V288 PolarHBondContact O-N 3.23Å; Q286-V288 VanDerWaalsContact C-N 3.32Å; V288-F317 HydrophobicContact CB-CD2 3.99Å; V288-F317 HydrophobicContact CB-CE1 4.25Å; V288-F317 HydrophobicContact CB-CE2 3.54Å; V288-F317 HydrophobicContact CB-CZ 3.68Å; V288-F317 HydrophobicContact CG1-CD1 4.04Å; V288-F317 HydrophobicContact CG1-CD2 3.49Å; V288-F317 VanDerWaalsContact CG1-CD2 3.49Å; V288-F317 HydrophobicContact CG1-CE1 4.11Å; V288-F317 HydrophobicContact CG1-CE2 3.6Å; V288-F317 HydrophobicContact CG1-CG 3.75Å; V288-F317 HydrophobicContact CG1-CZ 3.9Å; V288-F317 HydrophobicContact CG2-CE1 4.25Å; V288-F317 HydrophobicContact CG2-CE2 4.32Å; V288-F317 HydrophobicContact CG2-CZ 3.94Å; V288-F318 HydrophobicContact CB-CD2 4.33Å; V288-F318 HydrophobicContact CB-CE2 4.37Å; V288-F318 HydrophobicContact CG1-CD2 3.62Å; V288-F318 HydrophobicContact CG1-CE2 3.76Å; V288-F318 HydrophobicContact CG2-CD2 3.72Å; V288-F318 HydrophobicContact CG2-CE2 3.93Å; V288-A321 HydrophobicContact CG2-CB 4.35Å
289	A	88.1	Confident	90.3	Very high	19 Å²	19	21.1 Å²	21.1	16%	0.157	13%	0.133	C	C	.	.	H	α-helix	trans	-101.5	2.1	-174.5	0	0	0	0	0	114.4	Y285 L291 P314 F317	Y285-A289 HydrophobicContact CD1-CB 4.07Å; Y285-A289 HydrophobicContact CE1-CB 3.57Å; Y285-A289 WeakPolarHBondContact O-CB 3.35Å; Y285-A289 PolarHBondContact O-N 3.25Å; A289-L291 PolarHBondContact O-N 2.96Å; A289-P314 HydrophobicContact CB-CG 4.08Å; A289-F317 HydrophobicContact CB-CE2 4.33Å
290	G	85.4	Confident	89.6	Confident	5 Å²	5	28.1 Å²	28.1	5%	0.052	16%	0.161	C	C	.	.	S	Bend	trans	69.1	-26.5	-175.4	0	0	0	0	0	115.9	I181 G185 Q286	I181-G290 WeakPolarHBondContact CG2-O 3.33Å; G185-G290 WeakPolarHBondContact O-CA 3.24Å; Q286-G290 CarbonylContact O-C 3.53Å; Q286-G290 WeakPolarHBondContact O-CA 3.38Å; Q286-G290 PolarHBondContact O-N 2.95Å
291	L	87.4	Confident	88.9	Confident	33 Å²	33	31.4 Å²	31.4	17%	0.173	18%	0.178	C	C	.	.	S	Bend	trans	-121.3	145.2	-174.5	-66.1	169.2	0	0	0	110.4	Y285 Q286 A289 Y385	Y285-L291 WeakPolarHBondContact CD1-O 3.45Å; Y285-L291 WeakPolarHBondContact CE1-O 3.26Å; Q286-L291 WeakPolarHBondContact CA-O 3.43Å; A289-L291 PolarHBondContact O-N 2.96Å; L291-Y385 HydrophobicContact CD1-CE2 3.96Å; L291-Y385 HydrophobicContact CD2-CE2 3.88Å; L291-Y385 WeakPolarHBondContact CD2-OH 3.38Å; L291-Y385 HydrophobicContact CG-CE2 4.01Å
292	P	92.9	Very high	88.4	Confident	4 Å²	4	32 Å²	32	3%	0.026	18%	0.181	C	C	.	.			trans	-67.5	157.9	175.6	27.8	-33.9	0	0	0	111.8	Q259 Y260 R295	Q259-P292 HydrophobicContact CB-CB 4.25Å; Q259-P292 HydrophobicContact CB-CG 4.17Å; Q259-P292 HydrophobicContact CG-CG 4.22Å; Y260-P292 HydrophobicContact CE1-CB 4.44Å; P292-R295 HydrophobicContact CG-CG 4.08Å; P292-R295 WeakPolarHBondContact O-CD 3.46Å; P292-R295 WeakPolarHBondContact O-CG 3.46Å; P292-R295 PolarHBondContact O-NE 3Å
293	P	94.7	Very high	88	Confident	9 Å²	9	34 Å²	34	6%	0.058	19%	0.19	C	C	.	.	S	Bend	trans	-70.2	-43.5	-173.4	24	-29.7	0	0	0	112.3	C282 Y285 R295 Y311 L329	C282-P293 HydrophobicContact CB-CG 4.26Å; Y285-P293 HydrophobicContact CD1-CB 3.74Å; Y285-P293 VanDerWaalsContact CD1-CD 3.46Å; Y285-P293 HydrophobicContact CD1-CG 4.02Å; Y285-P293 HydrophobicContact CD2-CB 4.02Å; Y285-P293 HydrophobicContact CE1-CB 3.96Å; Y285-P293 HydrophobicContact CE2-CB 4.21Å; Y285-P293 HydrophobicContact CG-CB 3.81Å; Y285-P293 HydrophobicContact CG-CG 3.99Å; P293-R295 PolarHBondContact O-N 3.4Å; P293-Y311 HydrophobicContact CB-CD2 3.65Å; P293-Y311 HydrophobicContact CB-CE2 4.44Å; P293-Y311 HydrophobicContact CB-CG 3.94Å; P293-L329 HydrophobicContact CG-CD1 4.14Å
294	F	94.6	Very high	87.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-90	89.8	-176.7	-52.7	-66.8	0	0	0	111.3	W278 I302 K305 I306 L309 Y311 L329	W278-F294 AromaticContact CE2-CE2 3.94Å; W278-F294 AromaticContact CH2-CE2 3.95Å; W278-F294 HydrophobicContact CH2-CE2 3.95Å; W278-F294 AromaticContact CH2-CZ 3.77Å; W278-F294 HydrophobicContact CH2-CZ 3.77Å; W278-F294 HydrophobicContact CZ2-CD2 4.1Å; W278-F294 AromaticContact CZ2-CE2 3.27Å; W278-F294 HydrophobicContact CZ2-CE2 3.27Å; W278-F294 AromaticContact CZ2-CZ 3.56Å; W278-F294 HydrophobicContact CZ2-CZ 3.56Å; F294-I302 HydrophobicContact CB-CG2 4.08Å; F294-K305 HydrophobicContact CD1-CB 4.08Å; F294-I306 HydrophobicContact CB-CD1 4.3Å; F294-I306 HydrophobicContact CB-CG1 3.78Å; F294-I306 HydrophobicContact CD1-CG1 4.02Å; F294-I306 HydrophobicContact CD2-CG1 3.71Å; F294-I306 HydrophobicContact CE2-CG1 4.36Å; F294-I306 HydrophobicContact CG-CD1 4.46Å; F294-I306 HydrophobicContact CG-CG1 3.53Å; F294-L309 HydrophobicContact CE1-CD1 4.45Å; F294-L309 HydrophobicContact CZ-CD1 4.02Å; F294-Y311 AromaticContact CE1-CD1 3.79Å; F294-Y311 HydrophobicContact CE1-CD1 3.79Å; F294-Y311 HydrophobicContact CE1-CG 4.07Å; F294-Y311 AromaticContact CZ-CD1 3.91Å; F294-Y311 HydrophobicContact CZ-CD1 3.91Å; F294-Y311 HydrophobicContact CZ-CE1 4.48Å; F294-Y311 HydrophobicContact CZ-CG 4.3Å; F294-L329 HydrophobicContact CE2-CD1 4.22Å; F294-L329 HydrophobicContact CE2-CD2 4.33Å; F294-L329 HydrophobicContact CZ-CD1 4.26Å
295	R	87.6	Confident	87.4	Confident	59 Å²	59	40 Å²	40	22%	0.223	22%	0.217	C	C	.	.			trans	-119.9	138.8	177.7	-68.2	180	-64.1	124	-4.5	113	P292 P293 K305 D381	P292-R295 HydrophobicContact CG-CG 4.08Å; P292-R295 WeakPolarHBondContact O-CD 3.46Å; P292-R295 WeakPolarHBondContact O-CG 3.46Å; P292-R295 PolarHBondContact O-NE 3Å; P293-R295 PolarHBondContact O-N 3.4Å; R295-K305 WeakPolarHBondContact O-CD 3.48Å; R295-K305 PolarHBondContact O-NZ 3.26Å; R295-D381 IonicContact CZ-OD1 3.41Å; R295-D381 IonicContact CZ-OD2 3.77Å; R295-D381 IonicContact NH1-OD1 2.68Å; R295-D381 PolarHBondContact NH1-OD1 3.36Å; R295-D381 IonicContact NH1-OD2 3.76Å; R295-D381 PolarHBondContact NH1-OD2 2.99Å; R295-D381 IonicContact NH2-OD2 3.5Å; R295-D381 PolarHBondContact NH2-OD2 2.87Å
296	A	79.3	Confident	87.3	Confident	39 Å²	39	39.3 Å²	39.3	32%	0.322	21%	0.214	S	C	.	.			trans	-164	164.7	168.3	0	0	0	0	0	110.2	N298 L301 I302	A296-N298 PolarHBondContact O-N 3.31Å; A296-L301 HydrophobicContact CB-CB 3.35Å; A296-L301 HydrophobicContact CB-CD1 4.2Å; A296-L301 HydrophobicContact CB-CG 4.43Å; A296-I302 HydrophobicContact CB-CG1 4.1Å
297	G	69.1	Low	87.2	Confident	83 Å²	83	42.7 Å²	42.7	86%	0.856	23%	0.232	S	C	*	.	S	Bend	trans	-69.7	9.2	-176.8	0	0	0	0	0	117.1
298	N	74.1	Confident	87.2	Confident	48 Å²	48	48.7 Å²	48.7	26%	0.257	26%	0.258	S	S	.	.	S	Bend	trans	-164.4	160.1	167.1	61.8	83.7	0	0	0	111.1	A296 Y300 L301 I302	A296-N298 PolarHBondContact O-N 3.31Å; N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 PolarHBondContact O-N 3.28Å; N298-Y300 WeakPolarHBondContact OD1-CB 3.36Å; N298-Y300 PolarHBondContact OD1-N 2.87Å; N298-L301 VanDerWaalsContact ND2-CD1 3.3Å; N298-L301 WeakPolarHBondContact ND2-CD1 3.27Å; N298-L301 PolarHBondContact O-N 3.44Å; N298-L301 PolarHBondContact OD1-N 3.47Å; N298-L301 VanDerWaalsContact OD1-N 3.11Å; N298-I302 PolarHBondContact O-N 2.89Å
299	E	80.4	Confident	87.4	Confident	115 Å²	115	51.1 Å²	51.1	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-38.6	-176.6	-57.8	179.4	133.5	0	0	113.6	A258 L301 I302 F303	A258-E299 HydrophobicContact CB-CB 4.19Å; A258-E299 HydrophobicContact CB-CG 3.99Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-L301 PolarHBondContact O-N 3.38Å; E299-I302 WeakPolarHBondContact O-CB 3.39Å; E299-I302 PolarHBondContact O-N 2.82Å; E299-I302 VanDerWaalsContact O-N 3.11Å; E299-F303 HydrophobicContact CB-CE1 4.49Å; E299-F303 HydrophobicContact CB-CE2 3.85Å; E299-F303 HydrophobicContact CB-CZ 3.77Å; E299-F303 WeakPolarHBondContact O-CD1 3.45Å; E299-F303 VanDerWaalsContact O-CD2 3.24Å; E299-F303 WeakPolarHBondContact O-CD2 3.49Å; E299-F303 WeakPolarHBondContact O-CG 3.41Å; E299-F303 PolarHBondContact O-N 3.31Å
300	Y	79.3	Confident	87.8	Confident	148 Å²	148	54 Å²	54	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-40.7	179.6	172.2	-92.2	0	0	0	112	N298 F303 Q304	N298-Y300 VanDerWaalsContact C-N 3.34Å; N298-Y300 PolarHBondContact O-N 3.28Å; N298-Y300 WeakPolarHBondContact OD1-CB 3.36Å; N298-Y300 PolarHBondContact OD1-N 2.87Å; Y300-F303 PolarHBondContact O-N 2.91Å; Y300-Q304 HydrophobicContact CD1-CG 4.34Å; Y300-Q304 HydrophobicContact CE1-CG 3.85Å; Y300-Q304 VanDerWaalsContact CE1-OE1 3.3Å; Y300-Q304 HydrophobicContact CE2-CG 4.48Å; Y300-Q304 WeakPolarHBondContact O-CG 3.24Å; Y300-Q304 PolarHBondContact O-N 3.45Å; Y300-Q304 PolarHBondContact OH-NE2 3.19Å; Y300-Q304 VanDerWaalsContact OH-NE2 3.13Å
301	L	83	Confident	88.3	Confident	69 Å²	69	55.7 Å²	55.7	36%	0.361	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-34.6	173.9	-67.2	178.8	0	0	0	112.3	A296 N298 E299 Q304 K305	A296-L301 HydrophobicContact CB-CB 3.35Å; A296-L301 HydrophobicContact CB-CD1 4.2Å; A296-L301 HydrophobicContact CB-CG 4.43Å; N298-L301 VanDerWaalsContact ND2-CD1 3.3Å; N298-L301 WeakPolarHBondContact ND2-CD1 3.27Å; N298-L301 PolarHBondContact O-N 3.44Å; N298-L301 PolarHBondContact OD1-N 3.47Å; N298-L301 VanDerWaalsContact OD1-N 3.11Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-L301 PolarHBondContact O-N 3.38Å; L301-Q304 PolarHBondContact O-N 2.84Å; L301-K305 PolarHBondContact O-N 3.22Å
302	I	86.7	Confident	88.5	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.062	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-45.2	172.3	-65.5	171	0	0	0	110.1	A258 Q259 F294 A296 N298 E299 Q304 K305 I306	A258-I302 HydrophobicContact CB-CG2 4.39Å; A258-I302 WeakPolarHBondContact O-CG2 3.5Å; Q259-I302 HydrophobicContact CG-CD1 4.08Å; F294-I302 HydrophobicContact CB-CG2 4.08Å; A296-I302 HydrophobicContact CB-CG1 4.1Å; N298-I302 PolarHBondContact O-N 2.89Å; E299-I302 WeakPolarHBondContact O-CB 3.39Å; E299-I302 PolarHBondContact O-N 2.82Å; E299-I302 VanDerWaalsContact O-N 3.11Å; I302-Q304 PolarHBondContact O-N 2.97Å; I302-K305 PolarHBondContact O-N 3.45Å; I302-K305 VanDerWaalsContact O-N 3.16Å; I302-I306 HydrophobicContact CG2-CD1 3.77Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.94Å
303	F	89.6	Confident	88.5	Confident	42 Å²	42	63.9 Å²	63.9	18%	0.184	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-40.9	175.4	-54.8	-30.1	0	0	0	112.2	F254 A258 L266 E299 Y300 K305 I306 I307	F254-F303 AromaticContact CE1-CZ 3.85Å; F254-F303 HydrophobicContact CE1-CZ 3.85Å; F254-F303 HydrophobicContact CE2-CE1 4.43Å; F254-F303 HydrophobicContact CE2-CZ 4.24Å; F254-F303 AromaticContact CZ-CE1 3.68Å; F254-F303 HydrophobicContact CZ-CE1 3.68Å; F254-F303 HydrophobicContact CZ-CE2 4.24Å; F254-F303 AromaticContact CZ-CZ 3.35Å; F254-F303 HydrophobicContact CZ-CZ 3.35Å; A258-F303 HydrophobicContact CB-CE1 3.61Å; A258-F303 HydrophobicContact CB-CZ 4Å; L266-F303 HydrophobicContact CD1-CB 3.93Å; L266-F303 HydrophobicContact CD1-CD1 3.96Å; L266-F303 HydrophobicContact CD1-CG 4.19Å; L266-F303 HydrophobicContact CD2-CB 4.26Å; L266-F303 HydrophobicContact CD2-CD1 3.62Å; L266-F303 HydrophobicContact CD2-CD2 4.3Å; L266-F303 HydrophobicContact CD2-CE1 4.02Å; L266-F303 HydrophobicContact CD2-CG 3.8Å; L266-F303 HydrophobicContact CG-CD1 4.46Å; E299-F303 HydrophobicContact CB-CE1 4.49Å; E299-F303 HydrophobicContact CB-CE2 3.85Å; E299-F303 HydrophobicContact CB-CZ 3.77Å; E299-F303 WeakPolarHBondContact O-CD1 3.45Å; E299-F303 VanDerWaalsContact O-CD2 3.24Å; E299-F303 WeakPolarHBondContact O-CD2 3.49Å; E299-F303 WeakPolarHBondContact O-CG 3.41Å; E299-F303 PolarHBondContact O-N 3.31Å; Y300-F303 PolarHBondContact O-N 2.91Å; F303-K305 VanDerWaalsContact C-N 3.28Å; F303-K305 PolarHBondContact O-N 3.29Å; F303-I306 HydrophobicContact CD1-CD1 4.41Å; F303-I306 PolarHBondContact O-N 3.35Å; F303-I307 WeakPolarHBondContact O-CG1 3.39Å; F303-I307 WeakPolarHBondContact O-CG2 3.32Å; F303-I307 PolarHBondContact O-N 3.44Å
304	Q	89.9	Confident	88.2	Confident	65 Å²	65	64.7 Å²	64.7	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-33.9	174	-76	-164.1	-53.2	0	0	112.6	Y300 L301 I302 K308	Y300-Q304 HydrophobicContact CD1-CG 4.34Å; Y300-Q304 HydrophobicContact CE1-CG 3.85Å; Y300-Q304 VanDerWaalsContact CE1-OE1 3.3Å; Y300-Q304 HydrophobicContact CE2-CG 4.48Å; Y300-Q304 WeakPolarHBondContact O-CG 3.24Å; Y300-Q304 PolarHBondContact O-N 3.45Å; Y300-Q304 PolarHBondContact OH-NE2 3.19Å; Y300-Q304 VanDerWaalsContact OH-NE2 3.13Å; L301-Q304 PolarHBondContact O-N 2.84Å; I302-Q304 PolarHBondContact O-N 2.97Å; Q304-K308 WeakPolarHBondContact O-CD 3.26Å; Q304-K308 VanDerWaalsContact O-CG 3.24Å; Q304-K308 WeakPolarHBondContact O-CG 3.36Å
305	K	93.4	Very high	87.5	Confident	60 Å²	60	73.3 Å²	73.3	26%	0.261	37%	0.367	S	S	.	.	H	α-helix	trans	-70.1	-47.5	172.6	-75.5	-169.1	164.4	-172.6	0	112.2	F294 R295 L301 I302 F303 I307 K308 L309 E310	F294-K305 HydrophobicContact CD1-CB 4.08Å; R295-K305 WeakPolarHBondContact O-CD 3.48Å; R295-K305 PolarHBondContact O-NZ 3.26Å; L301-K305 PolarHBondContact O-N 3.22Å; I302-K305 PolarHBondContact O-N 3.45Å; I302-K305 VanDerWaalsContact O-N 3.16Å; F303-K305 VanDerWaalsContact C-N 3.28Å; F303-K305 PolarHBondContact O-N 3.29Å; K305-I307 PolarHBondContact O-N 3.4Å; K305-K308 PolarHBondContact O-N 3.11Å; K305-L309 PolarHBondContact O-N 3.11Å; K305-E310 HydrophobicContact CB-CB 4.12Å; K305-E310 WeakPolarHBondContact CD-O 3.41Å; K305-E310 WeakPolarHBondContact CE-OE1 3.4Å; K305-E310 HydrophobicContact CG-CB 4.04Å; K305-E310 HydrophobicContact CG-CG 4.2Å; K305-E310 WeakPolarHBondContact CG-OE1 3.4Å; K305-E310 PolarHBondContact O-N 3.29Å
306	I	94.8	Very high	87.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-54.4	-51.6	178.8	-72.7	160.9	0	0	0	111.5	A258 P263 L266 W278 F294 I302 F303 K308 L309 L331	A258-I306 WeakPolarHBondContact O-CD1 3.49Å; P263-I306 HydrophobicContact CB-CG2 4.04Å; L266-I306 HydrophobicContact CD1-CB 4.05Å; L266-I306 HydrophobicContact CD1-CD1 4.38Å; L266-I306 HydrophobicContact CD1-CG2 3.64Å; W278-I306 HydrophobicContact CH2-CG2 4.45Å; W278-I306 HydrophobicContact CZ2-CB 4.46Å; W278-I306 HydrophobicContact CZ2-CG1 4.4Å; W278-I306 HydrophobicContact CZ2-CG2 3.79Å; F294-I306 HydrophobicContact CB-CD1 4.3Å; F294-I306 HydrophobicContact CB-CG1 3.78Å; F294-I306 HydrophobicContact CD1-CG1 4.02Å; F294-I306 HydrophobicContact CD2-CG1 3.71Å; F294-I306 HydrophobicContact CE2-CG1 4.36Å; F294-I306 HydrophobicContact CG-CD1 4.46Å; F294-I306 HydrophobicContact CG-CG1 3.53Å; I302-I306 HydrophobicContact CG2-CD1 3.77Å; I302-I306 WeakPolarHBondContact O-CG1 3.25Å; I302-I306 PolarHBondContact O-N 2.94Å; F303-I306 HydrophobicContact CD1-CD1 4.41Å; F303-I306 PolarHBondContact O-N 3.35Å; I306-K308 PolarHBondContact O-N 3.14Å; I306-L309 PolarHBondContact O-N 3.19Å; I306-L309 VanDerWaalsContact O-N 3.15Å; I306-L331 VanDerWaalsContact O-CD2 3.27Å; I306-L331 WeakPolarHBondContact O-CD2 3.34Å
307	I	93.2	Very high	87.9	Confident	80 Å²	80	75.1 Å²	75.1	41%	0.41	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.2	-176.1	67.5	-176.7	0	0	0	114.3	L266 T267 F303 K305	L266-I307 HydrophobicContact CB-CG2 4.22Å; L266-I307 HydrophobicContact CD1-CG2 3.95Å; T267-I307 HydrophobicContact CG2-CG2 4.26Å; F303-I307 WeakPolarHBondContact O-CG1 3.39Å; F303-I307 WeakPolarHBondContact O-CG2 3.32Å; F303-I307 PolarHBondContact O-N 3.44Å; K305-I307 PolarHBondContact O-N 3.4Å
308	K	95.1	Very high	89.1	Confident	125 Å²	125	72.1 Å²	72.1	54%	0.543	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.4	174.9	-69.9	176.3	-174.9	-178.1	0	113.6	Q304 K305 I306 E310	Q304-K308 WeakPolarHBondContact O-CD 3.26Å; Q304-K308 VanDerWaalsContact O-CG 3.24Å; Q304-K308 WeakPolarHBondContact O-CG 3.36Å; K305-K308 PolarHBondContact O-N 3.11Å; I306-K308 PolarHBondContact O-N 3.14Å; K308-E310 VanDerWaalsContact C-N 3.31Å; K308-E310 HydrophobicContact CB-CB 4.01Å; K308-E310 HydrophobicContact CD-CB 4.26Å; K308-E310 WeakPolarHBondContact CD-OE2 3.39Å; K308-E310 WeakPolarHBondContact CE-OE2 3.48Å; K308-E310 IonicContact NZ-OE2 2.6Å; K308-E310 PolarHBondContact NZ-OE2 3.23Å
309	L	96.8	Very high	90.2	Very high	58 Å²	58	75.1 Å²	75.1	30%	0.304	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	38.1	-161.7	-161.7	55.2	0	0	0	113.4	W278 F294 K305 I306 Y311 L329 L331	W278-L309 HydrophobicContact CH2-CD1 3.84Å; W278-L309 HydrophobicContact CZ3-CD1 4.17Å; F294-L309 HydrophobicContact CE1-CD1 4.45Å; F294-L309 HydrophobicContact CZ-CD1 4.02Å; K305-L309 PolarHBondContact O-N 3.11Å; I306-L309 PolarHBondContact O-N 3.19Å; I306-L309 VanDerWaalsContact O-N 3.15Å; L309-Y311 HydrophobicContact CD1-CD1 3.93Å; L309-Y311 HydrophobicContact CD1-CE1 3.57Å; L309-Y311 HydrophobicContact CG-CD1 4.25Å; L309-Y311 HydrophobicContact CG-CE1 3.91Å; L309-Y311 PolarHBondContact O-N 3.43Å; L309-Y311 VanDerWaalsContact O-N 3.17Å; L309-L329 HydrophobicContact CD1-CB 4.13Å; L309-L329 WeakPolarHBondContact CD1-O 3.44Å; L309-L329 WeakPolarHBondContact CD2-O 3.24Å; L309-L331 HydrophobicContact CB-CD1 4.18Å; L309-L331 HydrophobicContact CB-CD2 4.05Å; L309-L331 HydrophobicContact CB-CG 4.02Å; L309-L331 HydrophobicContact CD2-CG 4.39Å
310	E	95.9	Very high	91	Very high	81 Å²	81	73.4 Å²	73.4	38%	0.379	35%	0.346	S	S	.	.			trans	-85.5	85.8	-176.9	-171.2	-170.3	119.5	0	0	111.1	K305 K308	K305-E310 HydrophobicContact CB-CB 4.12Å; K305-E310 WeakPolarHBondContact CD-O 3.41Å; K305-E310 WeakPolarHBondContact CE-OE1 3.4Å; K305-E310 HydrophobicContact CG-CB 4.04Å; K305-E310 HydrophobicContact CG-CG 4.2Å; K305-E310 WeakPolarHBondContact CG-OE1 3.4Å; K305-E310 PolarHBondContact O-N 3.29Å; K308-E310 VanDerWaalsContact C-N 3.31Å; K308-E310 HydrophobicContact CB-CB 4.01Å; K308-E310 HydrophobicContact CD-CB 4.26Å; K308-E310 WeakPolarHBondContact CD-OE2 3.39Å; K308-E310 WeakPolarHBondContact CE-OE2 3.48Å; K308-E310 IonicContact NZ-OE2 2.6Å; K308-E310 PolarHBondContact NZ-OE2 3.23Å
311	Y	95.9	Very high	91.9	Very high	40 Å²	40	66.3 Å²	66.3	16%	0.157	32%	0.318	C	S	.	.			trans	-145.6	162.7	169.9	78.5	-69.8	0	0	0	110.2	Y285 P293 F294 L309 F313 V325 L329	Y285-Y311 HydrophobicContact CD2-CD2 4.24Å; Y285-Y311 HydrophobicContact CD2-CE2 4.16Å; Y285-Y311 HydrophobicContact CE2-CD2 4.01Å; Y285-Y311 HydrophobicContact CE2-CE2 4.24Å; P293-Y311 HydrophobicContact CB-CD2 3.65Å; P293-Y311 HydrophobicContact CB-CE2 4.44Å; P293-Y311 HydrophobicContact CB-CG 3.94Å; F294-Y311 AromaticContact CE1-CD1 3.79Å; F294-Y311 HydrophobicContact CE1-CD1 3.79Å; F294-Y311 HydrophobicContact CE1-CG 4.07Å; F294-Y311 AromaticContact CZ-CD1 3.91Å; F294-Y311 HydrophobicContact CZ-CD1 3.91Å; F294-Y311 HydrophobicContact CZ-CE1 4.48Å; F294-Y311 HydrophobicContact CZ-CG 4.3Å; L309-Y311 HydrophobicContact CD1-CD1 3.93Å; L309-Y311 HydrophobicContact CD1-CE1 3.57Å; L309-Y311 HydrophobicContact CG-CD1 4.25Å; L309-Y311 HydrophobicContact CG-CE1 3.91Å; L309-Y311 PolarHBondContact O-N 3.43Å; L309-Y311 VanDerWaalsContact O-N 3.17Å; Y311-F313 HydrophobicContact CE2-CD2 4.12Å; Y311-F313 HydrophobicContact CE2-CE1 4.18Å; Y311-F313 AromaticContact CE2-CE2 3.54Å; Y311-F313 HydrophobicContact CE2-CE2 3.54Å; Y311-F313 AromaticContact CE2-CZ 3.58Å; Y311-F313 HydrophobicContact CE2-CZ 3.58Å; Y311-F313 AromaticContact CZ-CE2 3.82Å; Y311-F313 AromaticContact CZ-CZ 3.96Å; Y311-F313 WeakPolarHBondContact OH-CE2 3.49Å; Y311-F313 WeakPolarHBondContact OH-CZ 3.33Å; Y311-V325 HydrophobicContact CE2-CG1 4.36Å; Y311-L329 HydrophobicContact CE1-CD1 4.14Å; Y311-L329 HydrophobicContact CE2-CD1 4Å
312	E	92.3	Very high	92.6	Very high	167 Å²	167	66.7 Å²	66.7	78%	0.78	32%	0.317	S	S	*	.			trans	-131.2	159	178.9	-65.1	-178.9	-178.5	0	0	109.3	Y285	Y285-E312 WeakPolarHBondContact CE2-O 3.37Å; Y285-E312 PolarHBondContact OH-O 2.58Å
313	F	92.5	Very high	93.2	Very high	41 Å²	41	69.1 Å²	69.1	18%	0.18	33%	0.33	C	S	.	.			trans	-101.3	138.6	174.8	-70.2	-90.8	0	0	0	110.3	Y285 Y311 F317 K322 V325 E326	Y285-F313 AromaticContact CD2-CD1 3.96Å; Y285-F313 HydrophobicContact CD2-CD1 3.96Å; Y285-F313 AromaticContact CD2-CE1 3.83Å; Y285-F313 HydrophobicContact CD2-CE1 3.83Å; Y285-F313 AromaticContact CE2-CD1 3.77Å; Y285-F313 HydrophobicContact CE2-CD1 3.77Å; Y285-F313 HydrophobicContact CE2-CE1 4.1Å; Y285-F313 HydrophobicContact CE2-CG 4.33Å; Y311-F313 HydrophobicContact CE2-CD2 4.12Å; Y311-F313 HydrophobicContact CE2-CE1 4.18Å; Y311-F313 AromaticContact CE2-CE2 3.54Å; Y311-F313 HydrophobicContact CE2-CE2 3.54Å; Y311-F313 AromaticContact CE2-CZ 3.58Å; Y311-F313 HydrophobicContact CE2-CZ 3.58Å; Y311-F313 AromaticContact CZ-CE2 3.82Å; Y311-F313 AromaticContact CZ-CZ 3.96Å; Y311-F313 WeakPolarHBondContact OH-CE2 3.49Å; Y311-F313 WeakPolarHBondContact OH-CZ 3.33Å; F313-F317 HydrophobicContact CB-CB 4.46Å; F313-F317 HydrophobicContact CD1-CB 4.38Å; F313-F317 AromaticContact CD1-CD1 3.89Å; F313-F317 HydrophobicContact CD1-CD1 3.89Å; F313-F317 AromaticContact CD1-CD2 3.71Å; F313-F317 HydrophobicContact CD1-CD2 3.71Å; F313-F317 HydrophobicContact CD1-CE1 4Å; F313-F317 AromaticContact CD1-CE2 3.82Å; F313-F317 HydrophobicContact CD1-CE2 3.82Å; F313-F317 AromaticContact CD1-CG 3.73Å; F313-F317 HydrophobicContact CD1-CG 3.73Å; F313-F317 AromaticContact CD1-CZ 3.97Å; F313-F317 HydrophobicContact CD1-CZ 3.97Å; F313-F317 HydrophobicContact CE1-CD1 4.18Å; F313-F317 HydrophobicContact CE1-CD2 4.44Å; F313-F317 AromaticContact CE1-CE1 3.89Å; F313-F317 HydrophobicContact CE1-CE1 3.89Å; F313-F317 HydrophobicContact CE1-CE2 4.15Å; F313-F317 HydrophobicContact CE1-CG 4.44Å; F313-F317 AromaticContact CE1-CZ 3.86Å; F313-F317 HydrophobicContact CE1-CZ 3.86Å; F313-K322 HydrophobicContact CB-CD 4.48Å; F313-K322 HydrophobicContact CD1-CB 4.44Å; F313-K322 HydrophobicContact CD1-CD 4.36Å; F313-K322 HydrophobicContact CD1-CG 4.1Å; F313-K322 HydrophobicContact CD2-CD 4.02Å; F313-K322 HydrophobicContact CD2-CG 4.14Å; F313-K322 HydrophobicContact CE1-CB 4.22Å; F313-K322 HydrophobicContact CE1-CG 3.9Å; F313-K322 HydrophobicContact CE2-CD 4.27Å; F313-K322 HydrophobicContact CE2-CG 3.93Å; F313-K322 HydrophobicContact CG-CD 4.05Å; F313-K322 HydrophobicContact CG-CG 4.21Å; F313-K322 HydrophobicContact CZ-CG 3.8Å; F313-V325 HydrophobicContact CE1-CB 3.99Å; F313-V325 HydrophobicContact CE1-CG1 3.83Å; F313-V325 HydrophobicContact CZ-CB 3.99Å; F313-V325 HydrophobicContact CZ-CG1 3.7Å; F313-E326 HydrophobicContact CE2-CG 3.62Å; F313-E326 WeakPolarHBondContact CE2-OE1 3.42Å; F313-E326 HydrophobicContact CZ-CG 3.72Å
314	P	88.1	Confident	93.6	Very high	27 Å²	27	67.1 Å²	67.1	18%	0.175	32%	0.321	C	S	.	.			trans	-63.4	154.4	170.1	27.1	-34.5	0	0	0	111.5	Y285 A289 K316 F317 A376	Y285-P314 WeakPolarHBondContact OH-CD 3.45Å; A289-P314 HydrophobicContact CB-CG 4.08Å; P314-K316 PolarHBondContact O-N 2.8Å; P314-K316 VanDerWaalsContact O-N 3.1Å; P314-F317 HydrophobicContact CG-CB 4.35Å; P314-F317 HydrophobicContact CG-CD2 3.94Å; P314-F317 WeakPolarHBondContact O-CB 3.26Å; P314-F317 PolarHBondContact O-N 3.48Å; P314-A376 HydrophobicContact CB-CB 3.8Å
315	E	81	Confident	94	Very high	180 Å²	180	64 Å²	64	84%	0.841	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-38.1	-177.4	-173.1	-166.2	-143.6	0	0	113.3	F317	E315-F317 PolarHBondContact O-N 3.37Å
316	K	83.8	Confident	94.2	Very high	120 Å²	120	65.7 Å²	65.7	52%	0.522	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	36.5	-172.9	-57.9	176.1	-177.5	168.6	0	113.3	P314 P375 A376	P314-K316 PolarHBondContact O-N 2.8Å; P314-K316 VanDerWaalsContact O-N 3.1Å; K316-P375 HydrophobicContact CB-CB 3.88Å; K316-P375 HydrophobicContact CD-CB 3.72Å; K316-P375 HydrophobicContact CG-CB 4.41Å; K316-A376 HydrophobicContact CB-CB 3.92Å; K316-A376 HydrophobicContact CD-CB 4.46Å; K316-A376 HydrophobicContact CG-CB 4.35Å
317	F	92.3	Very high	94.4	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.075	33%	0.33	C	S	.	.			trans	-84.2	136.4	174.2	-154.4	-78.8	0	0	0	111.3	Y285 V288 A289 F313 P314 E315 A321 K322 V325	Y285-F317 AromaticContact CD2-CE2 3.81Å; Y285-F317 HydrophobicContact CD2-CE2 3.81Å; Y285-F317 HydrophobicContact CD2-CZ 4.21Å; Y285-F317 HydrophobicContact CE2-CE2 4.08Å; Y285-F317 HydrophobicContact CG-CE2 4.24Å; V288-F317 HydrophobicContact CB-CD2 3.99Å; V288-F317 HydrophobicContact CB-CE1 4.25Å; V288-F317 HydrophobicContact CB-CE2 3.54Å; V288-F317 HydrophobicContact CB-CZ 3.68Å; V288-F317 HydrophobicContact CG1-CD1 4.04Å; V288-F317 HydrophobicContact CG1-CD2 3.49Å; V288-F317 VanDerWaalsContact CG1-CD2 3.49Å; V288-F317 HydrophobicContact CG1-CE1 4.11Å; V288-F317 HydrophobicContact CG1-CE2 3.6Å; V288-F317 HydrophobicContact CG1-CG 3.75Å; V288-F317 HydrophobicContact CG1-CZ 3.9Å; V288-F317 HydrophobicContact CG2-CE1 4.25Å; V288-F317 HydrophobicContact CG2-CE2 4.32Å; V288-F317 HydrophobicContact CG2-CZ 3.94Å; A289-F317 HydrophobicContact CB-CE2 4.33Å; F313-F317 HydrophobicContact CB-CB 4.46Å; F313-F317 HydrophobicContact CD1-CB 4.38Å; F313-F317 AromaticContact CD1-CD1 3.89Å; F313-F317 HydrophobicContact CD1-CD1 3.89Å; F313-F317 AromaticContact CD1-CD2 3.71Å; F313-F317 HydrophobicContact CD1-CD2 3.71Å; F313-F317 HydrophobicContact CD1-CE1 4Å; F313-F317 AromaticContact CD1-CE2 3.82Å; F313-F317 HydrophobicContact CD1-CE2 3.82Å; F313-F317 AromaticContact CD1-CG 3.73Å; F313-F317 HydrophobicContact CD1-CG 3.73Å; F313-F317 AromaticContact CD1-CZ 3.97Å; F313-F317 HydrophobicContact CD1-CZ 3.97Å; F313-F317 HydrophobicContact CE1-CD1 4.18Å; F313-F317 HydrophobicContact CE1-CD2 4.44Å; F313-F317 AromaticContact CE1-CE1 3.89Å; F313-F317 HydrophobicContact CE1-CE1 3.89Å; F313-F317 HydrophobicContact CE1-CE2 4.15Å; F313-F317 HydrophobicContact CE1-CG 4.44Å; F313-F317 AromaticContact CE1-CZ 3.86Å; F313-F317 HydrophobicContact CE1-CZ 3.86Å; P314-F317 HydrophobicContact CG-CB 4.35Å; P314-F317 HydrophobicContact CG-CD2 3.94Å; P314-F317 WeakPolarHBondContact O-CB 3.26Å; P314-F317 PolarHBondContact O-N 3.48Å; E315-F317 PolarHBondContact O-N 3.37Å; F317-A321 HydrophobicContact CD1-CB 4.34Å; F317-A321 HydrophobicContact CE1-CB 3.73Å; F317-K322 HydrophobicContact CD1-CB 3.76Å; F317-K322 HydrophobicContact CE1-CB 4.17Å; F317-V325 HydrophobicContact CZ-CG2 4.27Å
318	F	94.3	Very high	94.6	Very high	20 Å²	20	65 Å²	65	9%	0.088	31%	0.31	C	S	.	.			trans	-62	125.4	-177.8	-51	-67.9	0	0	0	111.7	E189 V288 K320 A321 K322 Y373	E189-F318 HydrophobicContact CB-CD1 3.9Å; E189-F318 HydrophobicContact CB-CD2 4.15Å; E189-F318 HydrophobicContact CB-CE1 3.7Å; E189-F318 HydrophobicContact CB-CE2 3.96Å; E189-F318 HydrophobicContact CB-CG 4.12Å; E189-F318 HydrophobicContact CB-CZ 3.73Å; E189-F318 HydrophobicContact CG-CB 4.23Å; E189-F318 HydrophobicContact CG-CD1 3.97Å; E189-F318 HydrophobicContact CG-CD2 3.94Å; E189-F318 HydrophobicContact CG-CE1 4.29Å; E189-F318 HydrophobicContact CG-CE2 4.26Å; E189-F318 HydrophobicContact CG-CG 3.79Å; E189-F318 HydrophobicContact CG-CZ 4.42Å; V288-F318 HydrophobicContact CB-CD2 4.33Å; V288-F318 HydrophobicContact CB-CE2 4.37Å; V288-F318 HydrophobicContact CG1-CD2 3.62Å; V288-F318 HydrophobicContact CG1-CE2 3.76Å; V288-F318 HydrophobicContact CG2-CD2 3.72Å; V288-F318 HydrophobicContact CG2-CE2 3.93Å; F318-K320 VanDerWaalsContact C-N 3.34Å; F318-K320 PolarHBondContact O-N 3.4Å; F318-A321 HydrophobicContact CB-CB 3.93Å; F318-A321 HydrophobicContact CD2-CB 4.4Å; F318-A321 PolarHBondContact O-N 3.38Å; F318-K322 PolarHBondContact O-N 3.16Å; F318-Y373 AromaticContact CE1-CE1 3.8Å; F318-Y373 HydrophobicContact CE1-CE1 3.8Å; F318-Y373 AromaticContact CE1-CZ 3.78Å; F318-Y373 VanDerWaalsContact CE1-OH 3.32Å; F318-Y373 WeakPolarHBondContact CE1-OH 3.44Å; F318-Y373 HydrophobicContact CE2-CE1 4.22Å; F318-Y373 HydrophobicContact CZ-CD1 4.08Å; F318-Y373 AromaticContact CZ-CE1 3.26Å; F318-Y373 HydrophobicContact CZ-CE1 3.26Å; F318-Y373 AromaticContact CZ-CZ 3.68Å
319	P	96.8	Very high	94.8	Very high	110 Å²	110	59 Å²	59	71%	0.714	28%	0.284	S	S	*	.	H	α-helix	trans	-56.3	-41.6	-173.3	-29.7	36	0	0	0	114.6	K322 D323	P319-K322 PolarHBondContact O-N 2.88Å; P319-D323 PolarHBondContact O-N 3.09Å; P319-D323 VanDerWaalsContact O-N 3.15Å
320	K	97.6	Very high	94.8	Very high	79 Å²	79	57.6 Å²	57.6	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-68.6	-33.4	176.5	-75.7	178.9	155.1	-161	0	113.3	F318 L324 H351 P352 F353 D355	F318-K320 VanDerWaalsContact C-N 3.34Å; F318-K320 PolarHBondContact O-N 3.4Å; K320-L324 PolarHBondContact O-N 3.13Å; K320-H351 PolarHBondContact O-CE1 2.95Å; K320-P352 HydrophobicContact CD-CB 4.4Å; K320-P352 WeakPolarHBondContact CD-O 3.21Å; K320-P352 VanDerWaalsContact CE-O 3.26Å; K320-P352 WeakPolarHBondContact CE-O 3.38Å; K320-P352 HydrophobicContact CG-CB 4.49Å; K320-P352 PolarHBondContact NZ-O 3.28Å; K320-F353 HydrophobicContact CB-CB 4.2Å; K320-F353 HydrophobicContact CB-CD2 4.03Å; K320-D355 IonicContact NZ-OD2 2.84Å; K320-D355 PolarHBondContact NZ-OD2 2.92Å
321	A	97.4	Very high	94.8	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-74.1	-34.7	174.7	0	0	0	0	0	111.2	V288 F317 F318 L324 V325 F353	V288-A321 HydrophobicContact CG2-CB 4.35Å; F317-A321 HydrophobicContact CD1-CB 4.34Å; F317-A321 HydrophobicContact CE1-CB 3.73Å; F318-A321 HydrophobicContact CB-CB 3.93Å; F318-A321 HydrophobicContact CD2-CB 4.4Å; F318-A321 PolarHBondContact O-N 3.38Å; A321-L324 PolarHBondContact O-N 3.31Å; A321-V325 WeakPolarHBondContact O-CG2 3.26Å; A321-V325 PolarHBondContact O-N 3.31Å; A321-F353 HydrophobicContact CB-CD2 3.96Å; A321-F353 HydrophobicContact CB-CE2 3.69Å; A321-F353 HydrophobicContact CB-CZ 4.14Å
322	K	97.8	Very high	94.7	Very high	77 Å²	77	57.6 Å²	57.6	34%	0.335	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-52.9	176.9	173.4	168.9	176.6	176.2	0	110.5	F313 F317 F318 P319 L324 V325 E326	F313-K322 HydrophobicContact CB-CD 4.48Å; F313-K322 HydrophobicContact CD1-CB 4.44Å; F313-K322 HydrophobicContact CD1-CD 4.36Å; F313-K322 HydrophobicContact CD1-CG 4.1Å; F313-K322 HydrophobicContact CD2-CD 4.02Å; F313-K322 HydrophobicContact CD2-CG 4.14Å; F313-K322 HydrophobicContact CE1-CB 4.22Å; F313-K322 HydrophobicContact CE1-CG 3.9Å; F313-K322 HydrophobicContact CE2-CD 4.27Å; F313-K322 HydrophobicContact CE2-CG 3.93Å; F313-K322 HydrophobicContact CG-CD 4.05Å; F313-K322 HydrophobicContact CG-CG 4.21Å; F313-K322 HydrophobicContact CZ-CG 3.8Å; F317-K322 HydrophobicContact CD1-CB 3.76Å; F317-K322 HydrophobicContact CE1-CB 4.17Å; F318-K322 PolarHBondContact O-N 3.16Å; P319-K322 PolarHBondContact O-N 2.88Å; K322-L324 VanDerWaalsContact C-N 3.3Å; K322-L324 PolarHBondContact O-N 3.5Å; K322-V325 PolarHBondContact O-N 3.49Å; K322-E326 VanDerWaalsContact CE-CD 3.4Å; K322-E326 WeakPolarHBondContact CE-OE1 3.32Å; K322-E326 HydrophobicContact CG-CG 4.35Å; K322-E326 IonicContact NZ-OE1 3.12Å; K322-E326 WeakPolarHBondContact O-CG 3.33Å; K322-E326 PolarHBondContact O-N 3.06Å
323	D	98.4	Very high	94.8	Very high	63 Å²	63	51.2 Å²	51.2	34%	0.337	26%	0.258	S	S	.	.	H	α-helix	trans	-53.6	-45.3	175.7	-179.9	34.7	0	0	0	111.9	P319 V325 E326 Q327 H351	P319-D323 PolarHBondContact O-N 3.09Å; P319-D323 VanDerWaalsContact O-N 3.15Å; D323-V325 PolarHBondContact O-N 3.36Å; D323-E326 PolarHBondContact O-N 3.39Å; D323-Q327 VanDerWaalsContact CG-NE2 3.26Å; D323-Q327 WeakPolarHBondContact O-CB 3.41Å; D323-Q327 WeakPolarHBondContact O-CG 3.09Å; D323-Q327 PolarHBondContact O-N 3.3Å; D323-Q327 PolarHBondContact OD1-NE2 3.11Å; D323-Q327 PolarHBondContact OD2-NE2 3.02Å; D323-H351 IonicContact OD2-CE1 3.88Å; D323-H351 IonicContact OD2-NE2 3.83Å; D323-H351 PolarHBondContact OD2-NE2 3.4Å; D323-H351 VanDerWaalsContact OD2-NE2 3.14Å
324	L	98.5	Very high	94.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.2	-178.5	56.2	0	0	0	112.8	I284 K320 A321 K322 Q327 L328 L337 L348 H351 F353 F354	I284-L324 HydrophobicContact CD1-CD2 3.82Å; I284-L324 HydrophobicContact CD1-CG 4.24Å; K320-L324 PolarHBondContact O-N 3.13Å; A321-L324 PolarHBondContact O-N 3.31Å; K322-L324 VanDerWaalsContact C-N 3.3Å; K322-L324 PolarHBondContact O-N 3.5Å; L324-Q327 PolarHBondContact O-N 3.09Å; L324-L328 HydrophobicContact CD1-CD1 3.89Å; L324-L328 HydrophobicContact CD1-CG 4.17Å; L324-L328 HydrophobicContact CG-CD1 3.88Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.44Å; L324-L337 HydrophobicContact CD1-CD2 3.9Å; L324-L348 HydrophobicContact CD1-CD1 3.74Å; L324-H351 HydrophobicContact CD1-CB 4.37Å; L324-F353 HydrophobicContact CB-CB 4.48Å; L324-F353 HydrophobicContact CD2-CB 4.05Å; L324-F353 HydrophobicContact CD2-CD1 3.45Å; L324-F353 VanDerWaalsContact CD2-CD1 3.45Å; L324-F353 HydrophobicContact CD2-CE1 4.24Å; L324-F353 HydrophobicContact CD2-CG 4.05Å; L324-F354 HydrophobicContact CD1-CE2 4.46Å; L324-F354 HydrophobicContact CD2-CD2 4.5Å; L324-F354 HydrophobicContact CD2-CE2 3.59Å; L324-F354 HydrophobicContact CD2-CZ 3.68Å
325	V	98.5	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.9	-39.2	178.2	171.4	0	0	0	0	111.2	I284 Y285 Y311 F313 F317 A321 K322 D323 Q327 L328 L329	I284-V325 HydrophobicContact CB-CG2 3.92Å; I284-V325 HydrophobicContact CG2-CG2 3.59Å; Y285-V325 HydrophobicContact CD2-CG1 4.33Å; Y311-V325 HydrophobicContact CE2-CG1 4.36Å; F313-V325 HydrophobicContact CE1-CB 3.99Å; F313-V325 HydrophobicContact CE1-CG1 3.83Å; F313-V325 HydrophobicContact CZ-CB 3.99Å; F313-V325 HydrophobicContact CZ-CG1 3.7Å; F317-V325 HydrophobicContact CZ-CG2 4.27Å; A321-V325 WeakPolarHBondContact O-CG2 3.26Å; A321-V325 PolarHBondContact O-N 3.31Å; K322-V325 PolarHBondContact O-N 3.49Å; D323-V325 PolarHBondContact O-N 3.36Å; V325-Q327 VanDerWaalsContact C-N 3.33Å; V325-Q327 PolarHBondContact O-N 2.7Å; V325-L328 PolarHBondContact O-N 3.42Å; V325-L329 HydrophobicContact CG1-CD1 3.56Å; V325-L329 HydrophobicContact CG1-CG 4.01Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.78Å
326	E	98.3	Very high	96.1	Very high	94 Å²	94	47.5 Å²	47.5	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-37.3	175.2	-70.7	176.8	151.6	0	0	111.6	F313 K322 D323	F313-E326 HydrophobicContact CE2-CG 3.62Å; F313-E326 WeakPolarHBondContact CE2-OE1 3.42Å; F313-E326 HydrophobicContact CZ-CG 3.72Å; K322-E326 VanDerWaalsContact CE-CD 3.4Å; K322-E326 WeakPolarHBondContact CE-OE1 3.32Å; K322-E326 HydrophobicContact CG-CG 4.35Å; K322-E326 IonicContact NZ-OE1 3.12Å; K322-E326 WeakPolarHBondContact O-CG 3.33Å; K322-E326 PolarHBondContact O-N 3.06Å; D323-E326 PolarHBondContact O-N 3.39Å
327	Q	98.1	Very high	96.8	Very high	65 Å²	65	42.2 Å²	42.2	30%	0.304	22%	0.219	S	C	.	.	H	α-helix	trans	-76.3	-19.5	174.5	-68	-179.9	48.5	0	0	114.5	D323 L324 V325 R336 L337 H351	D323-Q327 VanDerWaalsContact CG-NE2 3.26Å; D323-Q327 WeakPolarHBondContact O-CB 3.41Å; D323-Q327 WeakPolarHBondContact O-CG 3.09Å; D323-Q327 PolarHBondContact O-N 3.3Å; D323-Q327 PolarHBondContact OD1-NE2 3.11Å; D323-Q327 PolarHBondContact OD2-NE2 3.02Å; L324-Q327 PolarHBondContact O-N 3.09Å; V325-Q327 VanDerWaalsContact C-N 3.33Å; V325-Q327 PolarHBondContact O-N 2.7Å; Q327-R336 WeakPolarHBondContact O-CA 3.24Å; Q327-L337 HydrophobicContact CB-CB 4.07Å; Q327-L337 PolarHBondContact O-N 3.31Å; Q327-H351 PolarHBondContact NE2-NE2 3.43Å
328	L	98	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-91.8	-39.7	175.9	-74.5	169.4	0	0	0	112.8	L277 L280 I284 L324 V325 S330 R336 L337 L348	L277-L328 HydrophobicContact CB-CD2 4.04Å; L280-L328 HydrophobicContact CD2-CD1 4.12Å; L280-L328 HydrophobicContact CD2-CD2 4.35Å; L280-L328 HydrophobicContact CG-CD1 4.09Å; I284-L328 HydrophobicContact CD1-CD1 3.69Å; L324-L328 HydrophobicContact CD1-CD1 3.89Å; L324-L328 HydrophobicContact CD1-CG 4.17Å; L324-L328 HydrophobicContact CG-CD1 3.88Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 VanDerWaalsContact O-CG 3.26Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.44Å; V325-L328 PolarHBondContact O-N 3.42Å; L328-S330 PolarHBondContact O-N 3.43Å; L328-R336 VanDerWaalsContact O-CD 3.23Å; L328-R336 WeakPolarHBondContact O-CD 3.41Å; L328-R336 WeakPolarHBondContact O-CG 3.45Å; L328-L337 VanDerWaalsContact CD2-O 3.25Å; L328-L337 WeakPolarHBondContact CD2-O 3.29Å; L328-L348 HydrophobicContact CD2-CD1 4.39Å
329	L	97.9	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-83.2	41.5	-179.9	-62.6	-176.2	0	0	0	112.7	W278 P293 F294 L309 Y311 V325	W278-L329 HydrophobicContact CD2-CD2 3.79Å; W278-L329 HydrophobicContact CE3-CB 4.39Å; W278-L329 HydrophobicContact CE3-CD2 3.9Å; W278-L329 HydrophobicContact CG-CD2 4.25Å; W278-L329 HydrophobicContact CH2-CD2 4.47Å; W278-L329 HydrophobicContact CZ2-CD2 4.36Å; W278-L329 HydrophobicContact CZ3-CB 4.14Å; W278-L329 HydrophobicContact CZ3-CD2 4.25Å; W278-L329 WeakPolarHBondContact CZ3-O 3.41Å; W278-L329 WeakPolarHBondContact O-CD2 3.39Å; P293-L329 HydrophobicContact CG-CD1 4.14Å; F294-L329 HydrophobicContact CE2-CD1 4.22Å; F294-L329 HydrophobicContact CE2-CD2 4.33Å; F294-L329 HydrophobicContact CZ-CD1 4.26Å; L309-L329 HydrophobicContact CD1-CB 4.13Å; L309-L329 WeakPolarHBondContact CD1-O 3.44Å; L309-L329 WeakPolarHBondContact CD2-O 3.24Å; Y311-L329 HydrophobicContact CE1-CD1 4.14Å; Y311-L329 HydrophobicContact CE2-CD1 4Å; V325-L329 HydrophobicContact CG1-CD1 3.56Å; V325-L329 HydrophobicContact CG1-CG 4.01Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.78Å
330	S	96.8	Very high	96.7	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	21%	0.208	C	C	.	.			trans	-76.3	134.1	170.4	-171.6	0	0	0	0	110.9	L328 D332 R336	L328-S330 PolarHBondContact O-N 3.43Å; S330-D332 PolarHBondContact O-N 3.05Å; S330-D332 PolarHBondContact OG-N 3Å; S330-D332 PolarHBondContact OG-O 3.22Å; S330-R336 PolarHBondContact O-NE 2.83Å; S330-R336 PolarHBondContact O-NH2 3.44Å
331	L	95.8	Very high	96.5	Very high	68 Å²	68	44.2 Å²	44.2	36%	0.356	22%	0.221	S	C	.	.	S	Bend	trans	-60.6	-32.4	173.1	-69.2	179.4	0	0	0	111.8	P263 W278 I306 L309 P333 R336	P263-L331 HydrophobicContact CB-CD2 4.07Å; P263-L331 HydrophobicContact CG-CD2 3.96Å; W278-L331 HydrophobicContact CH2-CD2 4.29Å; W278-L331 HydrophobicContact CZ3-CD2 4.47Å; I306-L331 VanDerWaalsContact O-CD2 3.27Å; I306-L331 WeakPolarHBondContact O-CD2 3.34Å; L309-L331 HydrophobicContact CB-CD1 4.18Å; L309-L331 HydrophobicContact CB-CD2 4.05Å; L309-L331 HydrophobicContact CB-CG 4.02Å; L309-L331 HydrophobicContact CD2-CG 4.39Å; L331-P333 WeakPolarHBondContact O-CD 3.27Å; L331-R336 PolarHBondContact O-NH2 3.09Å
332	D	94.7	Very high	96.3	Very high	52 Å²	52	48.2 Å²	48.2	28%	0.278	24%	0.241	S	C	.	.	S	Bend	trans	-85.6	113.5	177.7	-173.9	-24.2	0	0	0	110.2	S330 S334 K335	S330-D332 PolarHBondContact O-N 3.05Å; S330-D332 PolarHBondContact OG-N 3Å; S330-D332 PolarHBondContact OG-O 3.22Å; D332-S334 PolarHBondContact O-N 2.85Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 3.12Å; D332-S334 PolarHBondContact OD1-OG 3.44Å; D332-S334 PolarHBondContact OD2-OG 3.09Å; D332-K335 HydrophobicContact CB-CB 4.25Å; D332-K335 HydrophobicContact CB-CD 4.2Å; D332-K335 HydrophobicContact CB-CG 4.09Å; D332-K335 PolarHBondContact O-N 3.31Å; D332-K335 VanDerWaalsContact O-N 3.09Å; D332-K335 IonicContact OD2-NZ 3.57Å; D332-K335 PolarHBondContact OD2-NZ 3.03Å
333	P	94.2	Very high	96.1	Very high	34 Å²	34	47 Å²	47	22%	0.221	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-63.9	-21.9	-179.1	26.3	-34	0	0	0	113.4	S274 L331 K335	S274-P333 VanDerWaalsContact CB-O 3.25Å; S274-P333 WeakPolarHBondContact CB-O 3.4Å; S274-P333 PolarHBondContact OG-O 3.12Å; L331-P333 WeakPolarHBondContact O-CD 3.27Å; P333-K335 VanDerWaalsContact C-N 3.25Å; P333-K335 PolarHBondContact O-N 2.77Å
334	S	95.2	Very high	96	Very high	45 Å²	45	44.6 Å²	44.6	32%	0.315	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-80.2	-2.8	177	71.3	0	0	0	0	114	D332 C339	D332-S334 PolarHBondContact O-N 2.85Å; D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 3.12Å; D332-S334 PolarHBondContact OD1-OG 3.44Å; D332-S334 PolarHBondContact OD2-OG 3.09Å; S334-C339 VanDerWaalsContact C-SG 3.58Å; S334-C339 PolarHBondContact O-SG 3.17Å
335	K	96.5	Very high	95.9	Very high	124 Å²	124	45.6 Å²	45.6	54%	0.539	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-116	4.7	-179.7	-62.4	-169.7	177.1	89.3	0	114	D332 P333	D332-K335 HydrophobicContact CB-CB 4.25Å; D332-K335 HydrophobicContact CB-CD 4.2Å; D332-K335 HydrophobicContact CB-CG 4.09Å; D332-K335 PolarHBondContact O-N 3.31Å; D332-K335 VanDerWaalsContact O-N 3.09Å; D332-K335 IonicContact OD2-NZ 3.57Å; D332-K335 PolarHBondContact OD2-NZ 3.03Å; P333-K335 VanDerWaalsContact C-N 3.25Å; P333-K335 PolarHBondContact O-N 2.77Å
336	R	97.7	Very high	95.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-79.7	130.7	179.4	-59.1	-176.3	-172.6	136.4	10.8	109.9	E264 S274 L277 Q327 L328 S330 L331 G338 C339	E264-R336 IonicContact OE1-CZ 3.51Å; E264-R336 IonicContact OE1-NH1 2.91Å; E264-R336 PolarHBondContact OE1-NH1 3.08Å; E264-R336 IonicContact OE1-NH2 2.64Å; E264-R336 IonicContact OE2-CZ 3.22Å; E264-R336 IonicContact OE2-NH1 2.75Å; E264-R336 PolarHBondContact OE2-NH1 3.01Å; E264-R336 IonicContact OE2-NH2 2.75Å; E264-R336 PolarHBondContact OE2-NH2 2.93Å; S274-R336 WeakPolarHBondContact O-CD 3.38Å; S274-R336 PolarHBondContact O-NH1 3.29Å; S274-R336 WeakPolarHBondContact OG-CB 3.41Å; S274-R336 WeakPolarHBondContact OG-CD 3.46Å; L277-R336 HydrophobicContact CB-CB 4.37Å; L277-R336 HydrophobicContact CD1-CB 4.41Å; Q327-R336 WeakPolarHBondContact O-CA 3.24Å; L328-R336 VanDerWaalsContact O-CD 3.23Å; L328-R336 WeakPolarHBondContact O-CD 3.41Å; L328-R336 WeakPolarHBondContact O-CG 3.45Å; S330-R336 PolarHBondContact O-NE 2.83Å; S330-R336 PolarHBondContact O-NH2 3.44Å; L331-R336 PolarHBondContact O-NH2 3.09Å; R336-G338 PolarHBondContact O-N 3.44Å; R336-C339 WeakPolarHBondContact O-CB 3.49Å; R336-C339 PolarHBondContact O-N 3.37Å; R336-C339 PolarHBondContact O-SG 2.96Å
337	L	97.6	Very high	95.7	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	123.8	176.5	-171.9	70	0	0	0	110.1	L324 Q327 L328 P347 L348 H351	L324-L337 HydrophobicContact CD1-CD2 3.9Å; Q327-L337 HydrophobicContact CB-CB 4.07Å; Q327-L337 PolarHBondContact O-N 3.31Å; L328-L337 VanDerWaalsContact CD2-O 3.25Å; L328-L337 WeakPolarHBondContact CD2-O 3.29Å; L337-P347 HydrophobicContact CD1-CB 3.81Å; L337-L348 HydrophobicContact CB-CD1 4.48Å; L337-L348 HydrophobicContact CD2-CB 4.49Å; L337-L348 HydrophobicContact CD2-CD1 3.79Å; L337-L348 HydrophobicContact CG-CB 4.12Å; L337-L348 HydrophobicContact CG-CD1 3.98Å; L337-H351 HydrophobicContact CD2-CB 4Å
338	G	94.9	Very high	95.7	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	-17.2	-173	0	0	0	0	0	115.3	R336 G344	R336-G338 PolarHBondContact O-N 3.44Å; G338-G344 CarbonylContact C-O 3.48Å; G338-G344 WeakPolarHBondContact CA-O 3.42Å; G338-G344 CarbonylContact O-C 3.58Å; G338-G344 WeakPolarHBondContact O-CA 3.45Å
339	C	94.5	Very high	95.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.034	26%	0.256	C	S	.	.	S	Bend	trans	-75.9	160.2	-178.7	84	0	0	0	0	112	L277 S334 R336 E341 M342 G343 G344	L277-C339 HydrophobicContact CD1-CB 3.94Å; L277-C339 VanDerWaalsContact CD1-N 3.28Å; S334-C339 VanDerWaalsContact C-SG 3.58Å; S334-C339 PolarHBondContact O-SG 3.17Å; R336-C339 WeakPolarHBondContact O-CB 3.49Å; R336-C339 PolarHBondContact O-N 3.37Å; R336-C339 PolarHBondContact O-SG 2.96Å; C339-E341 VanDerWaalsContact C-N 3.26Å; C339-E341 PolarHBondContact O-N 3.21Å; C339-E341 PolarHBondContact SG-OE2 3.19Å; C339-M342 PolarHBondContact O-N 3.42Å; C339-M342 VanDerWaalsContact SG-CG 3.52Å; C339-G343 PolarHBondContact O-N 3.49Å; C339-G344 VanDerWaalsContact O-CA 3.28Å; C339-G344 WeakPolarHBondContact O-CA 3.3Å; C339-G344 PolarHBondContact O-N 3.31Å
340	E	91.8	Very high	95.6	Very high	128 Å²	128	54.1 Å²	54.1	60%	0.598	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.8	-172.8	-62.6	-175.3	165.9	0	0	111.9	K273 M342 G343	K273-E340 VanDerWaalsContact CD-OE1 3.32Å; K273-E340 WeakPolarHBondContact CD-OE1 3.34Å; K273-E340 WeakPolarHBondContact CE-OE1 3.25Å; K273-E340 IonicContact NZ-OE1 3.14Å; K273-E340 PolarHBondContact NZ-OE1 3.06Å; E340-M342 VanDerWaalsContact C-N 3.33Å; E340-M342 PolarHBondContact O-N 3.04Å; E340-G343 PolarHBondContact O-N 3.15Å
341	E	93.6	Very high	95.7	Very high	132 Å²	132	53.1 Å²	53.1	62%	0.617	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-68.2	-28	176.3	-57.1	83	175.8	0	0	113.2	C339 G343	C339-E341 VanDerWaalsContact C-N 3.26Å; C339-E341 PolarHBondContact O-N 3.21Å; C339-E341 PolarHBondContact SG-OE2 3.19Å; E341-G343 VanDerWaalsContact C-N 3.35Å
342	M	94.3	Very high	95.8	Very high	85 Å²	85	52.6 Å²	52.6	42%	0.419	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-93.2	14.3	178.2	-70.3	-67.6	-68.7	0	0	113.1	C339 E340	C339-M342 PolarHBondContact O-N 3.42Å; C339-M342 VanDerWaalsContact SG-CG 3.52Å; E340-M342 VanDerWaalsContact C-N 3.33Å; E340-M342 PolarHBondContact O-N 3.04Å
343	G	93.6	Very high	96	Very high	50 Å²	50	50.1 Å²	50.1	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	11.4	-177.9	0	0	0	0	0	114.7	C339 E340 E341	C339-G343 PolarHBondContact O-N 3.49Å; E340-G343 PolarHBondContact O-N 3.15Å; E341-G343 VanDerWaalsContact C-N 3.35Å
344	G	95	Very high	96.1	Very high	13 Å²	13	48.7 Å²	48.7	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	-148.5	176.4	0	0	0	0	0	113.5	G338 C339 D346	G338-G344 CarbonylContact C-O 3.48Å; G338-G344 WeakPolarHBondContact CA-O 3.42Å; G338-G344 CarbonylContact O-C 3.58Å; G338-G344 WeakPolarHBondContact O-CA 3.45Å; C339-G344 VanDerWaalsContact O-CA 3.28Å; C339-G344 WeakPolarHBondContact O-CA 3.3Å; C339-G344 PolarHBondContact O-N 3.31Å; G344-D346 VanDerWaalsContact C-N 3.33Å; G344-D346 PolarHBondContact O-N 3.41Å
345	Y	96.9	Very high	96.1	Very high	22 Å²	22	51.7 Å²	51.7	9%	0.086	27%	0.271	C	S	.	.	H	α-helix	trans	-75.2	-15	-172	-79.2	-97.6	0	0	0	114.6	V200 L203 E204 H207 L348 R349	V200-Y345 HydrophobicContact CG1-CD1 3.98Å; V200-Y345 HydrophobicContact CG1-CE1 4.3Å; L203-Y345 HydrophobicContact CB-CE1 4.19Å; L203-Y345 VanDerWaalsContact CB-OH 3.27Å; L203-Y345 WeakPolarHBondContact CB-OH 3.38Å; E204-Y345 HydrophobicContact CB-CD1 3.58Å; E204-Y345 HydrophobicContact CB-CD2 4.22Å; E204-Y345 HydrophobicContact CB-CE1 3.82Å; E204-Y345 HydrophobicContact CB-CE2 4.43Å; E204-Y345 HydrophobicContact CB-CG 3.8Å; E204-Y345 HydrophobicContact CG-CD1 4.01Å; E204-Y345 HydrophobicContact CG-CD2 4.07Å; E204-Y345 HydrophobicContact CG-CG 3.71Å; H207-Y345 HydrophobicContact CB-CE2 4.08Å; H207-Y345 PolarHBondContact CE1-OH 3.48Å; H207-Y345 AromaticContact ND1-CE2 3.56Å; H207-Y345 AromaticContact ND1-CZ 3.61Å; H207-Y345 PolarHBondContact ND1-OH 3.16Å; Y345-L348 HydrophobicContact CD1-CD2 4.04Å; Y345-L348 HydrophobicContact CE1-CD2 4.12Å; Y345-L348 PolarHBondContact O-N 2.93Å; Y345-R349 WeakPolarHBondContact O-CG 3.18Å; Y345-R349 PolarHBondContact O-N 2.9Å
346	D	96.4	Very high	95.9	Very high	83 Å²	83	50.4 Å²	50.4	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-49.1	-176.5	-74.2	-43.3	0	0	0	112.8	G344 L348 R349 Q350	G344-D346 VanDerWaalsContact C-N 3.33Å; G344-D346 PolarHBondContact O-N 3.41Å; D346-L348 VanDerWaalsContact C-N 3.3Å; D346-L348 PolarHBondContact O-N 2.98Å; D346-R349 PolarHBondContact O-N 3.36Å; D346-R349 IonicContact OD1-CZ 3.02Å; D346-R349 IonicContact OD1-NE 2.92Å; D346-R349 IonicContact OD1-NH2 3.59Å; D346-R349 PolarHBondContact OD1-NH2 3.35Å; D346-Q350 WeakPolarHBondContact O-CB 3.21Å; D346-Q350 VanDerWaalsContact O-CG 3.24Å; D346-Q350 WeakPolarHBondContact O-CG 3.39Å; D346-Q350 PolarHBondContact O-N 2.91Å; D346-Q350 PolarHBondContact O-NE2 3.23Å
347	P	97	Very high	95.8	Very high	47 Å²	47	51.5 Å²	51.5	31%	0.305	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-33.7	170.4	-28.3	38.6	0	0	0	114.1	L337 Q350 H351	L337-P347 HydrophobicContact CD1-CB 3.81Å; P347-Q350 CarbonylContact O-C 3.41Å; P347-Q350 PolarHBondContact O-N 3.2Å; P347-H351 PolarHBondContact O-N 3.33Å; P347-H351 VanDerWaalsContact O-N 3.16Å
348	L	97.6	Very high	95.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-41.4	176.2	179.9	58.1	0	0	0	111.9	V200 L277 L280 L324 L328 L337 Y345 D346 Q350 H351 F354	V200-L348 HydrophobicContact CG1-CD2 4.05Å; V200-L348 HydrophobicContact CG1-CG 4.28Å; V200-L348 HydrophobicContact CG2-CD2 4.08Å; V200-L348 HydrophobicContact CG2-CG 4.39Å; L277-L348 HydrophobicContact CD2-CD2 4.16Å; L280-L348 HydrophobicContact CD2-CD2 4.43Å; L324-L348 HydrophobicContact CD1-CD1 3.74Å; L328-L348 HydrophobicContact CD2-CD1 4.39Å; L337-L348 HydrophobicContact CB-CD1 4.48Å; L337-L348 HydrophobicContact CD2-CB 4.49Å; L337-L348 HydrophobicContact CD2-CD1 3.79Å; L337-L348 HydrophobicContact CG-CB 4.12Å; L337-L348 HydrophobicContact CG-CD1 3.98Å; Y345-L348 HydrophobicContact CD1-CD2 4.04Å; Y345-L348 HydrophobicContact CE1-CD2 4.12Å; Y345-L348 PolarHBondContact O-N 2.93Å; D346-L348 VanDerWaalsContact C-N 3.3Å; D346-L348 PolarHBondContact O-N 2.98Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å; L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-N 2.78Å; L348-F354 HydrophobicContact CD1-CE2 4.36Å; L348-F354 VanDerWaalsContact O-CD2 3.32Å; L348-F354 WeakPolarHBondContact O-CD2 3.44Å
349	R	96.8	Very high	95.6	Very high	62 Å²	62	56.1 Å²	56.1	23%	0.234	30%	0.303	C	S	.	.	H	α-helix	trans	-73.7	-20.5	176.5	-67.8	-172.4	-57.3	-168.5	7.4	113.7	V200 E204 Y345 D346 W359	V200-R349 HydrophobicContact CG1-CG 4.14Å; E204-R349 IonicContact OE1-CZ 2.63Å; E204-R349 IonicContact OE1-NH1 2.65Å; E204-R349 PolarHBondContact OE1-NH1 2.86Å; E204-R349 IonicContact OE1-NH2 3.44Å; E204-R349 IonicContact OE2-CZ 3.78Å; E204-R349 IonicContact OE2-NE 2.67Å; E204-R349 IonicContact OE2-NH1 2.62Å; E204-R349 PolarHBondContact OE2-NH1 3.11Å; Y345-R349 WeakPolarHBondContact O-CG 3.18Å; Y345-R349 PolarHBondContact O-N 2.9Å; D346-R349 PolarHBondContact O-N 3.36Å; D346-R349 IonicContact OD1-CZ 3.02Å; D346-R349 IonicContact OD1-NE 2.92Å; D346-R349 IonicContact OD1-NH2 3.59Å; D346-R349 PolarHBondContact OD1-NH2 3.35Å; R349-W359 HydrophobicContact CB-CD2 4.24Å; R349-W359 HydrophobicContact CB-CH2 4.28Å; R349-W359 HydrophobicContact CB-CZ2 3.68Å; R349-W359 HydrophobicContact CG-CD2 3.97Å; R349-W359 HydrophobicContact CG-CE3 4.03Å; R349-W359 HydrophobicContact CG-CH2 3.81Å; R349-W359 HydrophobicContact CG-CZ2 3.72Å; R349-W359 HydrophobicContact CG-CZ3 3.96Å; R349-W359 PolarHBondContact O-NE1 2.82Å
350	Q	97.1	Very high	95.4	Very high	145 Å²	145	60.9 Å²	60.9	68%	0.678	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1	175	-67.6	168.5	33.8	0	0	113.2	D346 P347 L348	D346-Q350 WeakPolarHBondContact O-CB 3.21Å; D346-Q350 VanDerWaalsContact O-CG 3.24Å; D346-Q350 WeakPolarHBondContact O-CG 3.39Å; D346-Q350 PolarHBondContact O-N 2.91Å; D346-Q350 PolarHBondContact O-NE2 3.23Å; P347-Q350 CarbonylContact O-C 3.41Å; P347-Q350 PolarHBondContact O-N 3.2Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å
351	H	98.4	Very high	95.4	Very high	8 Å²	8	57.8 Å²	57.8	4%	0.037	32%	0.324	C	S	.	.	S	Bend	trans	-63.2	136.5	178.6	-170.5	-90.7	0	0	0	111.1	K320 D323 L324 Q327 L337 P347 L348 F353 F354	K320-H351 PolarHBondContact O-CE1 2.95Å; D323-H351 IonicContact OD2-CE1 3.88Å; D323-H351 IonicContact OD2-NE2 3.83Å; D323-H351 PolarHBondContact OD2-NE2 3.4Å; D323-H351 VanDerWaalsContact OD2-NE2 3.14Å; L324-H351 HydrophobicContact CD1-CB 4.37Å; Q327-H351 PolarHBondContact NE2-NE2 3.43Å; L337-H351 HydrophobicContact CD2-CB 4Å; P347-H351 PolarHBondContact O-N 3.33Å; P347-H351 VanDerWaalsContact O-N 3.16Å; L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-N 2.78Å; H351-F353 WeakPolarHBondContact ND1-CB 3.41Å; H351-F353 PolarHBondContact ND1-N 3.13Å; H351-F353 PolarHBondContact O-N 2.87Å; H351-F354 HydrophobicContact CB-CD2 4.14Å; H351-F354 PolarHBondContact O-N 3.25Å
352	P	98.1	Very high	95.3	Very high	57 Å²	57	51.6 Å²	51.6	37%	0.37	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-55.6	-21.2	-174.8	-29.7	36.2	0	0	0	116	K320 F354 D355	K320-P352 HydrophobicContact CD-CB 4.4Å; K320-P352 WeakPolarHBondContact CD-O 3.21Å; K320-P352 VanDerWaalsContact CE-O 3.26Å; K320-P352 WeakPolarHBondContact CE-O 3.38Å; K320-P352 HydrophobicContact CG-CB 4.49Å; K320-P352 PolarHBondContact NZ-O 3.28Å; P352-F354 PolarHBondContact O-N 2.74Å; P352-D355 WeakPolarHBondContact CA-OD1 2.81Å; P352-D355 VanDerWaalsContact O-OD2 3.14Å
353	F	98.2	Very high	95.2	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.9	171.2	-175	-120.6	0	0	0	113.2	E189 T192 R193 K320 A321 L324 H351	E189-F353 HydrophobicContact CG-CE2 3.87Å; T192-F353 HydrophobicContact CG2-CE1 4.41Å; T192-F353 HydrophobicContact CG2-CZ 3.77Å; R193-F353 HydrophobicContact CB-CE1 4.05Å; R193-F353 HydrophobicContact CB-CE2 4.28Å; R193-F353 HydrophobicContact CB-CZ 3.77Å; R193-F353 WeakPolarHBondContact CD-O 3.38Å; R193-F353 HydrophobicContact CG-CD1 4.4Å; R193-F353 HydrophobicContact CG-CE1 4.16Å; R193-F353 HydrophobicContact CG-CZ 4.25Å; R193-F353 VanDerWaalsContact CG-O 3.29Å; R193-F353 WeakPolarHBondContact CG-O 3.43Å; R193-F353 PolarHBondContact NE-O 3.11Å; K320-F353 HydrophobicContact CB-CB 4.2Å; K320-F353 HydrophobicContact CB-CD2 4.03Å; A321-F353 HydrophobicContact CB-CD2 3.96Å; A321-F353 HydrophobicContact CB-CE2 3.69Å; A321-F353 HydrophobicContact CB-CZ 4.14Å; L324-F353 HydrophobicContact CB-CB 4.48Å; L324-F353 HydrophobicContact CD2-CB 4.05Å; L324-F353 HydrophobicContact CD2-CD1 3.45Å; L324-F353 VanDerWaalsContact CD2-CD1 3.45Å; L324-F353 HydrophobicContact CD2-CE1 4.24Å; L324-F353 HydrophobicContact CD2-CG 4.05Å; H351-F353 WeakPolarHBondContact ND1-CB 3.41Å; H351-F353 PolarHBondContact ND1-N 3.13Å; H351-F353 PolarHBondContact O-N 2.87Å
354	F	97.9	Very high	95.1	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-100.3	10	-175.4	-58.7	-65.9	0	0	0	114.6	R193 A197 V200 L324 L348 H351 P352 T356 I357 W359	R193-F354 HydrophobicContact CG-CD1 4.02Å; A197-F354 HydrophobicContact CB-CD1 4.18Å; A197-F354 HydrophobicContact CB-CE1 4.12Å; V200-F354 HydrophobicContact CG2-CZ 4.15Å; L324-F354 HydrophobicContact CD1-CE2 4.46Å; L324-F354 HydrophobicContact CD2-CD2 4.5Å; L324-F354 HydrophobicContact CD2-CE2 3.59Å; L324-F354 HydrophobicContact CD2-CZ 3.68Å; L348-F354 HydrophobicContact CD1-CE2 4.36Å; L348-F354 VanDerWaalsContact O-CD2 3.32Å; L348-F354 WeakPolarHBondContact O-CD2 3.44Å; H351-F354 HydrophobicContact CB-CD2 4.14Å; H351-F354 PolarHBondContact O-N 3.25Å; P352-F354 PolarHBondContact O-N 2.74Å; F354-T356 PolarHBondContact O-N 2.79Å; F354-I357 HydrophobicContact CB-CB 4.45Å; F354-I357 HydrophobicContact CB-CG1 4.23Å; F354-I357 HydrophobicContact CD1-CG1 4.16Å; F354-I357 WeakPolarHBondContact O-CB 3.42Å; F354-I357 PolarHBondContact O-N 3.13Å; F354-W359 HydrophobicContact CB-CH2 4.33Å; F354-W359 HydrophobicContact CB-CZ2 3.58Å; F354-W359 AromaticContact CD1-CH2 3.97Å; F354-W359 HydrophobicContact CD1-CH2 3.97Å; F354-W359 HydrophobicContact CD1-CZ2 4.08Å; F354-W359 HydrophobicContact CD2-CH2 4.11Å; F354-W359 AromaticContact CD2-CZ2 3.99Å; F354-W359 HydrophobicContact CD2-CZ2 3.99Å; F354-W359 HydrophobicContact CE1-CH2 4.25Å; F354-W359 HydrophobicContact CE2-CH2 4.39Å; F354-W359 AromaticContact CG-CH2 3.9Å; F354-W359 HydrophobicContact CG-CH2 3.9Å; F354-W359 AromaticContact CG-CZ2 3.64Å; F354-W359 HydrophobicContact CG-CZ2 3.64Å; F354-W359 HydrophobicContact CZ-CH2 4.45Å
355	D	93.9	Very high	95	Very high	109 Å²	109	56.8 Å²	56.8	58%	0.583	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-29.1	-178.5	-74.6	-18.8	0	0	0	114.9	K320 P352	K320-D355 IonicContact NZ-OD2 2.84Å; K320-D355 PolarHBondContact NZ-OD2 2.92Å; P352-D355 WeakPolarHBondContact CA-OD1 2.81Å; P352-D355 VanDerWaalsContact O-OD2 3.14Å
356	T	92.8	Very high	94.9	Very high	96 Å²	96	62.1 Å²	62.1	59%	0.589	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	7.5	-177.1	77.9	0	0	0	0	114.4	R193 F354	R193-T356 VanDerWaalsContact CD-OG1 3.31Å; R193-T356 WeakPolarHBondContact CD-OG1 3.42Å; R193-T356 PolarHBondContact NH1-OG1 3.21Å; F354-T356 PolarHBondContact O-N 2.79Å
357	I	95.4	Very high	94.9	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.118	32%	0.324	C	S	.	.			trans	-96.9	119.9	-174.6	-63.3	-60.9	0	0	0	110.9	R193 A197 F354 W359 L362	R193-I357 HydrophobicContact CG-CD1 3.97Å; R193-I357 HydrophobicContact CG-CG1 3.92Å; A197-I357 HydrophobicContact CB-CD1 4.24Å; A197-I357 HydrophobicContact CB-CG1 4.12Å; A197-I357 HydrophobicContact CB-CG2 3.91Å; F354-I357 HydrophobicContact CB-CB 4.45Å; F354-I357 HydrophobicContact CB-CG1 4.23Å; F354-I357 HydrophobicContact CD1-CG1 4.16Å; F354-I357 WeakPolarHBondContact O-CB 3.42Å; F354-I357 PolarHBondContact O-N 3.13Å; I357-W359 HydrophobicContact CB-CZ2 4.44Å; I357-W359 HydrophobicContact CG2-CD2 3.71Å; I357-W359 HydrophobicContact CG2-CE3 4.08Å; I357-W359 HydrophobicContact CG2-CG 4.04Å; I357-W359 HydrophobicContact CG2-CZ2 4.18Å; I357-W359 HydrophobicContact CG2-CZ3 4.47Å; I357-L362 HydrophobicContact CG2-CD1 4.45Å
358	S	94.1	Very high	94.7	Very high	54 Å²	54	58 Å²	58	38%	0.378	32%	0.318	S	S	.	.			trans	-81.6	116.4	158.8	175.6	0	0	0	0	108.8	D361 Q365	S358-D361 VanDerWaalsContact CB-OD1 3.26Å; S358-D361 WeakPolarHBondContact CB-OD1 3.2Å; S358-D361 PolarHBondContact OG-OD1 2.98Å; S358-Q365 PolarHBondContact O-NE2 2.98Å
359	W	94.6	Very high	94.2	Very high	55 Å²	55	66.6 Å²	66.6	21%	0.208	36%	0.355	C	S	.	.	S	Bend	trans	-83.7	-27.9	-172.1	-65.7	94.7	0	0	0	113.8	A197 V200 R349 F354 I357	A197-W359 HydrophobicContact CB-CE3 4.4Å; A197-W359 HydrophobicContact CB-CH2 3.85Å; A197-W359 HydrophobicContact CB-CZ3 3.69Å; V200-W359 HydrophobicContact CB-CH2 4.23Å; V200-W359 HydrophobicContact CB-CZ3 4Å; V200-W359 HydrophobicContact CG1-CH2 3.92Å; V200-W359 HydrophobicContact CG1-CZ3 3.76Å; R349-W359 HydrophobicContact CB-CD2 4.24Å; R349-W359 HydrophobicContact CB-CH2 4.28Å; R349-W359 HydrophobicContact CB-CZ2 3.68Å; R349-W359 HydrophobicContact CG-CD2 3.97Å; R349-W359 HydrophobicContact CG-CE3 4.03Å; R349-W359 HydrophobicContact CG-CH2 3.81Å; R349-W359 HydrophobicContact CG-CZ2 3.72Å; R349-W359 HydrophobicContact CG-CZ3 3.96Å; R349-W359 PolarHBondContact O-NE1 2.82Å; F354-W359 HydrophobicContact CB-CH2 4.33Å; F354-W359 HydrophobicContact CB-CZ2 3.58Å; F354-W359 AromaticContact CD1-CH2 3.97Å; F354-W359 HydrophobicContact CD1-CH2 3.97Å; F354-W359 HydrophobicContact CD1-CZ2 4.08Å; F354-W359 HydrophobicContact CD2-CH2 4.11Å; F354-W359 AromaticContact CD2-CZ2 3.99Å; F354-W359 HydrophobicContact CD2-CZ2 3.99Å; F354-W359 HydrophobicContact CE1-CH2 4.25Å; F354-W359 HydrophobicContact CE2-CH2 4.39Å; F354-W359 AromaticContact CG-CH2 3.9Å; F354-W359 HydrophobicContact CG-CH2 3.9Å; F354-W359 AromaticContact CG-CZ2 3.64Å; F354-W359 HydrophobicContact CG-CZ2 3.64Å; F354-W359 HydrophobicContact CZ-CH2 4.45Å; I357-W359 HydrophobicContact CB-CZ2 4.44Å; I357-W359 HydrophobicContact CG2-CD2 3.71Å; I357-W359 HydrophobicContact CG2-CE3 4.08Å; I357-W359 HydrophobicContact CG2-CG 4.04Å; I357-W359 HydrophobicContact CG2-CZ2 4.18Å; I357-W359 HydrophobicContact CG2-CZ3 4.47Å
360	S	90.1	Very high	93.7	Very high	106 Å²	106	64.9 Å²	64.9	74%	0.741	35%	0.351	S	S	*	.	S	Bend	trans	-74.9	-29.7	-171.7	41.5	0	0	0	0	114.6
361	D	90.6	Very high	92.2	Very high	62 Å²	62	61.2 Å²	61.2	33%	0.332	34%	0.338	S	S	.	.	S	Bend	trans	-119.2	13	-174.3	65.9	-25.3	0	0	0	112.6	S358 H363 L364 Q365	S358-D361 VanDerWaalsContact CB-OD1 3.26Å; S358-D361 WeakPolarHBondContact CB-OD1 3.2Å; S358-D361 PolarHBondContact OG-OD1 2.98Å; D361-H363 PolarHBondContact O-N 2.79Å; D361-H363 VanDerWaalsContact O-N 3.1Å; D361-L364 HydrophobicContact CB-CD1 4.44Å; D361-L364 WeakPolarHBondContact O-CA 3.38Å; D361-L364 WeakPolarHBondContact O-CB 3.24Å; D361-L364 PolarHBondContact O-N 2.75Å; D361-Q365 PolarHBondContact O-N 3.05Å; D361-Q365 VanDerWaalsContact O-N 3.13Å; D361-Q365 PolarHBondContact OD1-NE2 2.96Å
362	L	92.9	Very high	90.2	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.9	-176.1	-171.8	63.1	0	0	0	113.4	F151 F194 A197 E198 H229 I357 L364 Q365	F151-L362 HydrophobicContact CE2-CD2 4.38Å; F151-L362 HydrophobicContact CZ-CB 4.49Å; F151-L362 HydrophobicContact CZ-CD2 4.41Å; F151-L362 HydrophobicContact CZ-CG 4.28Å; F194-L362 HydrophobicContact CD2-CD1 3.9Å; F194-L362 HydrophobicContact CE2-CD1 3.56Å; F194-L362 HydrophobicContact CZ-CD1 4.06Å; A197-L362 HydrophobicContact CB-CD2 3.71Å; E198-L362 HydrophobicContact CB-CD2 4.48Å; E198-L362 HydrophobicContact CG-CD2 3.92Å; E198-L362 HydrophobicContact CG-CG 4.12Å; H229-L362 PolarHBondContact CE1-O 2.7Å; I357-L362 HydrophobicContact CG2-CD1 4.45Å; L362-L364 PolarHBondContact O-N 3.49Å; L362-Q365 PolarHBondContact O-N 3.06Å
363	H	90.8	Very high	88.1	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.375	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-75.9	3.3	175.9	74.2	-81.4	0	0	0	115	P150 F151 D361	P150-H363 HydrophobicContact CB-CB 4.11Å; P150-H363 HydrophobicContact CG-CB 3.65Å; F151-H363 HydrophobicContact CE1-CB 3.72Å; F151-H363 HydrophobicContact CZ-CB 3.74Å; D361-H363 PolarHBondContact O-N 2.79Å; D361-H363 VanDerWaalsContact O-N 3.1Å
364	L	92.4	Very high	85.6	Confident	129 Å²	129	72.5 Å²	72.5	68%	0.675	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-121.8	-14.3	176.3	-54.2	174.7	0	0	0	111.9	D361 L362	D361-L364 HydrophobicContact CB-CD1 4.44Å; D361-L364 WeakPolarHBondContact O-CA 3.38Å; D361-L364 WeakPolarHBondContact O-CB 3.24Å; D361-L364 PolarHBondContact O-N 2.75Å; L362-L364 PolarHBondContact O-N 3.49Å
365	Q	93.4	Very high	83	Confident	48 Å²	48	73.7 Å²	73.7	22%	0.224	40%	0.403	C	S	.	.	S	Bend	trans	-75.2	129.2	174.9	-68.9	168.1	32.9	0	0	109.9	F194 H229 S358 D361 L362 P367	F194-Q365 HydrophobicContact CE2-CB 4.17Å; H229-Q365 PolarHBondContact CE1-O 3.43Å; S358-Q365 PolarHBondContact O-NE2 2.98Å; D361-Q365 PolarHBondContact O-N 3.05Å; D361-Q365 VanDerWaalsContact O-N 3.13Å; D361-Q365 PolarHBondContact OD1-NE2 2.96Å; L362-Q365 PolarHBondContact O-N 3.06Å; Q365-P367 VanDerWaalsContact O-CD 3.25Å; Q365-P367 WeakPolarHBondContact O-CD 3.18Å
366	T	94.8	Very high	80.3	Confident	133 Å²	133	70 Å²	70	82%	0.816	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.5	119.5	174.6	-50.7	0	0	0	0	110.9
367	P	95.3	Very high	77.6	Confident	16 Å²	16	69.3 Å²	69.3	10%	0.104	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-59.7	144.5	179.5	-27.6	37.3	0	0	0	112.5	F194 E227 M228 Q365	F194-P367 HydrophobicContact CD1-CB 4.24Å; F194-P367 HydrophobicContact CE1-CB 3.61Å; F194-P367 HydrophobicContact CE1-CG 3.78Å; F194-P367 HydrophobicContact CZ-CB 3.94Å; F194-P367 HydrophobicContact CZ-CG 3.86Å; E227-P367 WeakPolarHBondContact O-CD 3.42Å; E227-P367 WeakPolarHBondContact O-CG 3.43Å; M228-P367 HydrophobicContact CB-CB 4.15Å; M228-P367 HydrophobicContact CB-CG 4.26Å; Q365-P367 VanDerWaalsContact O-CD 3.25Å; Q365-P367 WeakPolarHBondContact O-CD 3.18Å
368	P	93.1	Very high	74.9	Confident	28 Å²	28	70.7 Å²	70.7	18%	0.182	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-63.9	140.2	178.6	27.8	-34.9	0	0	0	110.7	T190 C191 F194 L370	T190-P368 HydrophobicContact CG2-CB 4.19Å; C191-P368 HydrophobicContact CB-CG 4.34Å; F194-P368 HydrophobicContact CB-CG 3.69Å; F194-P368 HydrophobicContact CD1-CG 4.35Å; F194-P368 HydrophobicContact CD2-CG 4.43Å; F194-P368 HydrophobicContact CG-CG 3.91Å; P368-L370 PolarHBondContact O-N 3.4Å; P368-L370 VanDerWaalsContact O-N 3.15Å
369	K	88.3	Confident	72.2	Confident	180 Å²	180	77.3 Å²	77.3	78%	0.783	42%	0.415	S	S	*	.			trans	-67.5	114.1	-178.7	-178.3	-177.3	177.7	-176.8	0	110	T371	K369-T371 PolarHBondContact O-N 2.81Å
370	L	85.3	Confident	69.7	Low	27 Å²	27	82.4 Å²	82.4	14%	0.141	45%	0.446	C	S	.	.			trans	-58.1	107.9	173.4	-65.1	178.5	0	0	0	111.2	Y180 I184 F187 C191 Y195 M228 P368	Y180-L370 HydrophobicContact CD1-CD1 3.44Å; Y180-L370 VanDerWaalsContact CD1-CD1 3.44Å; Y180-L370 HydrophobicContact CE1-CD1 4.23Å; Y180-L370 HydrophobicContact CG-CD1 3.79Å; I184-L370 HydrophobicContact CD1-CB 4.24Å; I184-L370 HydrophobicContact CD1-CD2 4.47Å; F187-L370 HydrophobicContact CD1-CD2 4.42Å; F187-L370 HydrophobicContact CD2-CD2 3.75Å; F187-L370 HydrophobicContact CE1-CD2 4.09Å; F187-L370 HydrophobicContact CE2-CD1 4.5Å; F187-L370 HydrophobicContact CE2-CD2 3.37Å; F187-L370 HydrophobicContact CG-CD2 4.26Å; F187-L370 HydrophobicContact CZ-CD1 4.06Å; F187-L370 HydrophobicContact CZ-CD2 3.56Å; F187-L370 HydrophobicContact CZ-CG 4.48Å; C191-L370 HydrophobicContact CB-CD2 3.89Å; Y195-L370 HydrophobicContact CD2-CD2 4.34Å; Y195-L370 HydrophobicContact CE2-CD2 3.58Å; Y195-L370 HydrophobicContact CE2-CG 4.23Å; M228-L370 HydrophobicContact CE-CD1 3.49Å; M228-L370 VanDerWaalsContact CE-CD1 3.49Å; M228-L370 HydrophobicContact CE-CG 4.21Å; P368-L370 PolarHBondContact O-N 3.4Å; P368-L370 VanDerWaalsContact O-N 3.15Å
371	T	66.8	Low	67.5	Low	67 Å²	67	78.5 Å²	78.5	41%	0.411	42%	0.417	S	S	.	.			trans	-115.2	147.3	174.3	49.4	0	0	0	0	110.6	I184 K369 Y373	I184-T371 WeakPolarHBondContact CD1-O 3.4Å; K369-T371 PolarHBondContact O-N 2.81Å; T371-Y373 PolarHBondContact O-N 3.19Å
372	P	56.3	Low	64.9	Low	91 Å²	91	81.2 Å²	81.2	59%	0.591	43%	0.428	S	S	*	.			trans	-52.4	121.3	172.6	-25.7	35.4	0	0	0	112.7	I184	I184-P372 HydrophobicContact CG2-CG 4.33Å
373	Y	53.6	Low	62.4	Low	78 Å²	78	89.4 Å²	89.4	31%	0.306	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-108.1	114	170.7	-166.2	-121.5	0	0	0	107.8	S186 F187 D188 F318 T371 P375	S186-Y373 WeakPolarHBondContact OG-CD1 3.08Å; S186-Y373 PolarHBondContact OG-O 3.17Å; F187-Y373 WeakPolarHBondContact O-CD1 3.38Å; D188-Y373 HydrophobicContact CB-CD2 3.86Å; D188-Y373 HydrophobicContact CB-CE2 4.31Å; D188-Y373 HydrophobicContact CB-CG 3.99Å; F318-Y373 AromaticContact CE1-CE1 3.8Å; F318-Y373 HydrophobicContact CE1-CE1 3.8Å; F318-Y373 AromaticContact CE1-CZ 3.78Å; F318-Y373 VanDerWaalsContact CE1-OH 3.32Å; F318-Y373 WeakPolarHBondContact CE1-OH 3.44Å; F318-Y373 HydrophobicContact CE2-CE1 4.22Å; F318-Y373 HydrophobicContact CZ-CD1 4.08Å; F318-Y373 AromaticContact CZ-CE1 3.26Å; F318-Y373 HydrophobicContact CZ-CE1 3.26Å; F318-Y373 AromaticContact CZ-CZ 3.68Å; T371-Y373 PolarHBondContact O-N 3.19Å; Y373-P375 HydrophobicContact CD1-CG 3.6Å; Y373-P375 HydrophobicContact CE1-CG 3.15Å; Y373-P375 HydrophobicContact CE2-CG 4.27Å; Y373-P375 HydrophobicContact CG-CG 4.3Å
374	L	44.9	Very low	60	Low	135 Å²	135	89.3 Å²	89.3	71%	0.707	48%	0.479	S	S	*	.			trans	-110.2	72.4	-176.8	-69.6	174	0	0	0	112.7
375	P	43.5	Very low	57.4	Low	28 Å²	28	85.9 Å²	85.9	18%	0.182	46%	0.457	C	S	.	.			trans	-127.1	145.4	154.5	36.2	-24	0	0	0	113.3	K316 Y373	K316-P375 HydrophobicContact CB-CB 3.88Å; K316-P375 HydrophobicContact CD-CB 3.72Å; K316-P375 HydrophobicContact CG-CB 4.41Å; Y373-P375 HydrophobicContact CD1-CG 3.6Å; Y373-P375 HydrophobicContact CE1-CG 3.15Å; Y373-P375 HydrophobicContact CE2-CG 4.27Å; Y373-P375 HydrophobicContact CG-CG 4.3Å
376	A	36.8	Very low	54.7	Low	31 Å²	31	87.3 Å²	87.3	26%	0.256	49%	0.485	S	S	.	.			trans	56.8	69.3	170.5	0	0	0	0	0	116.6	P314 K316	P314-A376 HydrophobicContact CB-CB 3.8Å; K316-A376 HydrophobicContact CB-CB 3.92Å; K316-A376 HydrophobicContact CD-CB 4.46Å; K316-A376 HydrophobicContact CG-CB 4.35Å
377	M	37.4	Very low	52	Low	81 Å²	81	86.1 Å²	86.1	40%	0.399	47%	0.474	S	S	.	.				-61.5	135.8	128.2	-65.3	-78.7	-77.7	0	0	107.8	E382 Y385	M377-E382 WeakPolarHBondContact CE-OE1 3.29Å; M377-Y385 HydrophobicContact CE-CD2 4.1Å; M377-Y385 HydrophobicContact SD-CD2 4.22Å; M377-Y385 HydrophobicContact SD-CE2 4.32Å
378	S	38.8	Very low	49.4	Very low	53 Å²	53	90 Å²	90	37%	0.371	49%	0.487	S	S	.	.			trans	-81.7	140.8	161.9	44.3	0	0	0	0	109.2	D380 D381	S378-D380 PolarHBondContact O-N 3.38Å; S378-D381 PolarHBondContact O-N 2.89Å; S378-D381 VanDerWaalsContact O-N 3.08Å
379	E	37.4	Very low	46.9	Very low	193 Å²	193	94.2 Å²	94.2	90%	0.902	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.3	-171.8	-58.6	-174.7	153.6	0	0	113.8
380	D	40.6	Very low	44.7	Very low	161 Å²	161	90.5 Å²	90.5	86%	0.861	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.1	178.5	-64.1	-59.9	0	0	0	115.9	S378	S378-D380 PolarHBondContact O-N 3.38Å
381	D	44	Very low	42.4	Very low	24 Å²	24	93.5 Å²	93.5	13%	0.128	51%	0.513	C	S	.	.			trans	-110.4	6.6	-164.9	-115.9	-37.2	0	0	0	115.9	R295 S378 D383 C384	R295-D381 IonicContact CZ-OD1 3.41Å; R295-D381 IonicContact CZ-OD2 3.77Å; R295-D381 IonicContact NH1-OD1 2.68Å; R295-D381 PolarHBondContact NH1-OD1 3.36Å; R295-D381 IonicContact NH1-OD2 3.76Å; R295-D381 PolarHBondContact NH1-OD2 2.99Å; R295-D381 IonicContact NH2-OD2 3.5Å; R295-D381 PolarHBondContact NH2-OD2 2.87Å; S378-D381 PolarHBondContact O-N 2.89Å; S378-D381 VanDerWaalsContact O-N 3.08Å; D381-D383 VanDerWaalsContact C-N 3.26Å; D381-D383 PolarHBondContact O-N 2.87Å; D381-C384 WeakPolarHBondContact O-CB 3.17Å; D381-C384 PolarHBondContact O-N 2.82Å; D381-C384 PolarHBondContact OD1-SG 3.35Å; D381-C384 VanDerWaalsContact OD1-SG 3.35Å
382	E	37.5	Very low	41.1	Very low	119 Å²	119	95.6 Å²	95.6	56%	0.556	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-54.3	-37.7	179.3	-77.6	-66.4	147.3	0	0	113.3	M377 C384 Y385	M377-E382 WeakPolarHBondContact CE-OE1 3.29Å; E382-C384 PolarHBondContact O-N 2.86Å; E382-Y385 PolarHBondContact O-N 2.9Å; E382-Y385 VanDerWaalsContact O-N 3.16Å
383	D	39.1	Very low	40.5	Very low	175 Å²	175	94 Å²	94	94%	0.936	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-60.4	-12.3	178.2	-96.8	-14.5	0	0	0	114	D381	D381-D383 VanDerWaalsContact C-N 3.26Å; D381-D383 PolarHBondContact O-N 2.87Å
384	C	40	Very low	39.7	Very low	78 Å²	78	96 Å²	96	53%	0.527	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-88.1	-18	178	-77.7	0	0	0	0	114.8	D381 E382	D381-C384 WeakPolarHBondContact O-CB 3.17Å; D381-C384 PolarHBondContact O-N 2.82Å; D381-C384 PolarHBondContact OD1-SG 3.35Å; D381-C384 VanDerWaalsContact OD1-SG 3.35Å; E382-C384 PolarHBondContact O-N 2.86Å
385	Y	38	Very low	39.3	Very low	57 Å²	57	96.5 Å²	96.5	22%	0.224	52%	0.52	C	S	.	.	S	Bend	trans	-114.6	125.6	-176.2	-78.7	-89.7	0	0	0	112.4	L291 M377 E382 N387	L291-Y385 HydrophobicContact CD1-CE2 3.96Å; L291-Y385 HydrophobicContact CD2-CE2 3.88Å; L291-Y385 WeakPolarHBondContact CD2-OH 3.38Å; L291-Y385 HydrophobicContact CG-CE2 4.01Å; M377-Y385 HydrophobicContact CE-CD2 4.1Å; M377-Y385 HydrophobicContact SD-CD2 4.22Å; M377-Y385 HydrophobicContact SD-CE2 4.32Å; E382-Y385 PolarHBondContact O-N 2.9Å; E382-Y385 VanDerWaalsContact O-N 3.16Å; Y385-N387 PolarHBondContact O-N 3.26Å; Y385-N387 VanDerWaalsContact O-N 3.13Å
386	G	37.4	Very low	39.1	Very low	78 Å²	78	99.8 Å²	99.8	80%	0.804	54%	0.544	S	S	*	.			trans	-75.3	102.5	179.9	0	0	0	0	0	112.7
387	N	38.3	Very low	39.1	Very low	108 Å²	108	105.1 Å²	105.1	58%	0.578	57%	0.568	S	S	*	*			trans	39	95.6	163.2	-163.3	27.2	0	0	0	116.9	Y385 D389	Y385-N387 PolarHBondContact O-N 3.26Å; Y385-N387 VanDerWaalsContact O-N 3.13Å; N387-D389 VanDerWaalsContact C-N 3.34Å; N387-D389 PolarHBondContact O-N 2.99Å
388	Y	40.6	Very low	38.9	Very low	97 Å²	97	109.2 Å²	109.2	38%	0.38	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63	-30.6	-174.9	-118.2	-94	0	0	0	115.1	D390 L391	Y388-D390 VanDerWaalsContact C-N 3.33Å; Y388-D390 PolarHBondContact O-N 3.06Å; Y388-L391 PolarHBondContact O-N 2.76Å
389	D	40.5	Very low	38.7	Very low	117 Å²	117	115.7 Å²	115.7	63%	0.626	61%	0.613	S	S	*	*	H	α-helix	trans	-62.1	-36.1	-172.4	-75.9	-25.5	0	0	0	113.5	N387 L391 L392 S393	N387-D389 VanDerWaalsContact C-N 3.34Å; N387-D389 PolarHBondContact O-N 2.99Å; D389-L391 PolarHBondContact O-N 3.23Å; D389-L392 PolarHBondContact O-N 3.14Å; D389-S393 PolarHBondContact O-N 3.48Å
390	D	41.8	Very low	38.3	Very low	103 Å²	103	113.4 Å²	113.4	55%	0.551	61%	0.612	S	S	*	*	H	α-helix	trans	-77.3	-5.9	-174.3	-161.2	37.4	0	0	0	113.6	Y388 S393 Q394	Y388-D390 VanDerWaalsContact C-N 3.33Å; Y388-D390 PolarHBondContact O-N 3.06Å; D390-S393 PolarHBondContact O-OG 3.23Å; D390-S393 VanDerWaalsContact O-OG 3.08Å; D390-Q394 PolarHBondContact O-NE2 3.36Å
391	L	37.7	Very low	37.8	Very low	90 Å²	90	109.8 Å²	109.8	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-91.8	-32.4	168.9	-69.2	174.3	0	0	0	112.1	Y388 D389 F395	Y388-L391 PolarHBondContact O-N 2.76Å; D389-L391 PolarHBondContact O-N 3.23Å; L391-F395 WeakPolarHBondContact O-CD2 3.46Å
392	L	39	Very low	37.1	Very low	110 Å²	110	115 Å²	115	58%	0.576	64%	0.64	S	S	*	*	H	α-helix	trans	-71.5	-36.9	177.6	-70.9	171.8	0	0	0	111.7	D389 Q394 F395	D389-L392 PolarHBondContact O-N 3.14Å; L392-Q394 PolarHBondContact O-N 3.43Å; L392-F395 PolarHBondContact O-N 2.6Å; L392-F395 VanDerWaalsContact O-N 3.13Å
393	S	43.1	Very low	36.8	Very low	57 Å²	57	115 Å²	115	40%	0.399	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.3	-37.7	175.4	67.2	0	0	0	0	112.9	D389 D390 F395	D389-S393 PolarHBondContact O-N 3.48Å; D390-S393 PolarHBondContact O-OG 3.23Å; D390-S393 VanDerWaalsContact O-OG 3.08Å; S393-F395 PolarHBondContact O-N 3Å
394	Q	36.6	Very low	36.2	Very low	120 Å²	120	112.7 Å²	112.7	56%	0.561	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-21.3	-176.1	-60.9	179.6	34.6	0	0	113.5	D390 L392	D390-Q394 PolarHBondContact O-NE2 3.36Å; L392-Q394 PolarHBondContact O-N 3.43Å
395	F	36.8	Very low	35.7	Very low	146 Å²	146	114.1 Å²	114.1	64%	0.64	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-27.6	179.7	-82.6	-81.2	0	0	0	113.7	L391 L392 S393 N397	L391-F395 WeakPolarHBondContact O-CD2 3.46Å; L392-F395 PolarHBondContact O-N 2.6Å; L392-F395 VanDerWaalsContact O-N 3.13Å; S393-F395 PolarHBondContact O-N 3Å; F395-N397 VanDerWaalsContact C-N 3.25Å; F395-N397 PolarHBondContact O-N 3.34Å
396	S	39.7	Very low	35.1	Very low	98 Å²	98	115.8 Å²	115.8	69%	0.685	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-23.3	-179.6	-67.8	0	0	0	0	113.9
397	N	36.7	Very low	34.8	Very low	142 Å²	142	120.2 Å²	120.2	76%	0.759	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	9	-170.2	-68.2	-19.6	0	0	0	114.7	F395	F395-N397 VanDerWaalsContact C-N 3.25Å; F395-N397 PolarHBondContact O-N 3.34Å
398	M	34.4	Very low	34.1	Very low	168 Å²	168	120.3 Å²	120.3	83%	0.828	69%	0.689	S	S	*	*			trans	-112.9	76.2	175.8	-75.2	-165.9	68.4	0	0	112.8
399	Q	33.4	Very low	33.5	Very low	189 Å²	189	124.3 Å²	124.3	88%	0.883	72%	0.716	S	S	*	*			trans	-119.7	154.1	158.1	-65.9	-165.9	4.8	0	0	110.4
400	V	29.5	Very low	32.9	Very low	145 Å²	145	124.2 Å²	124.2	88%	0.879	73%	0.725	S	S	*	*			trans	-96.6	139.9	-159.5	-178.8	0	0	0	0	112.7
401	A	30.6	Very low	32.6	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	73%	0.733	S	S	*	*			trans	-34	163	178.3	0	0	0	0	0	118.6
402	P	28.2	Very low	32.1	Very low	135 Å²	135	128.3 Å²	128.3	88%	0.877	75%	0.748	S	S	*	*				-131.3	169.2	99.2	38.8	-32.6	0	0	0	115.1
403	S	30.9	Very low	31.5	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	76%	0.756	S	S	*	*			trans	-90.4	147.4	-173.9	54.9	0	0	0	0	114.9
404	S	27.4	Very low	31.1	Very low	126 Å²	126	132.3 Å²	132.3	88%	0.881	77%	0.774	S	S	*	*			trans	-143	165.8	155.2	62.2	0	0	0	0	110.2
405	S	28.3	Very low	30.8	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	78%	0.782	S	S	*	*			trans	-132.2	168.6	-156.7	58.3	0	0	0	0	115.5
406	S	27.3	Very low	30.5	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	79%	0.786	S	S	*	*			trans	91.3	159.2	150	77.7	0	0	0	0	120.3
407	H	30	Very low	30.1	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.796	79%	0.794	S	S	*	*			trans	76.9	139.7	-178.6	-51.8	-58.4	0	0	0	117.6
408	S	24.4	Very low	29.8	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	80%	0.799	S	S	*	*			cis	-163	160.8	-20.8	-101.7	0	0	0	0	109.4
409	L	27.3	Very low	29.9	Very low	180 Å²	180	136.7 Å²	136.7	94%	0.942	81%	0.805	S	S	*	*			trans	-94.9	136.4	-179.6	-74.9	164	0	0	0	113.4
410	S	27.1	Very low	29.9	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	79%	0.794	S	S	*	*			trans	-159.2	159.3	153.5	51.6	0	0	0	0	111.2
411	P	35.8	Very low	30.3	Very low	110 Å²	110	130.6 Å²	130.6	71%	0.714	79%	0.789	S	S	*	*			trans	-124.2	-173	-157.6	36.2	-17.6	0	0	0	115.9
412	H	28.2	Very low	31.1	Very low	169 Å²	169	129.2 Å²	129.2	78%	0.782	77%	0.774	S	S	*	*			trans	76.7	151.2	-177.7	-71.7	-91.7	0	0	0	115.8
413	D	26	Very low	32.3	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	75%	0.747	S	S	*	*			cis	-140.4	166.8	7.6	-143.9	2.2	0	0	0	114.3
414	S	34.4	Very low	33.5	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	72%	0.717	S	S	*	*			trans	-90.6	124.2	-174.9	59	0	0	0	0	114.4
415	A	30	Very low	34.8	Very low	88 Å²	88	122.9 Å²	122.9	73%	0.727	71%	0.709	S	S	*	*			trans	-131.5	153.3	174	0	0	0	0	0	111.6
416	P	31.8	Very low	36	Very low	113 Å²	113	123 Å²	123	73%	0.734	70%	0.697	S	S	*	*			trans	-68.5	156.3	-178.4	28.8	-35.7	0	0	0	112.6	Q418	P416-Q418 PolarHBondContact O-N 2.86Å
417	P	30.4	Very low	37.2	Very low	132 Å²	132	118.9 Å²	118.9	86%	0.857	67%	0.668	S	S	*	*			trans	-67.3	108.5	-170.1	26.9	-35.3	0	0	0	112.3
418	Q	31.1	Very low	38.4	Very low	185 Å²	185	114 Å²	114	86%	0.864	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-66.1	137.5	164.4	-69.3	-169.1	-16.7	0	0	109.6	P416 S420	P416-Q418 PolarHBondContact O-N 2.86Å; Q418-S420 PolarHBondContact O-N 3.15Å
419	R	35.8	Very low	39.7	Very low	248 Å²	248	114.7 Å²	114.7	94%	0.936	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-67	132.1	167.6	-69.7	-178.7	177.1	175.8	-1	108.1	S421	R419-S421 PolarHBondContact O-N 3.41Å
420	S	33.7	Very low	41	Very low	95 Å²	95	108 Å²	108	66%	0.664	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.9	-175.9	51.8	0	0	0	0	111.5	Q418 S422	Q418-S420 PolarHBondContact O-N 3.15Å; S420-S422 WeakPolarHBondContact CB-OG 3.45Å; S420-S422 PolarHBondContact O-N 2.96Å; S420-S422 PolarHBondContact O-OG 3.48Å; S420-S422 PolarHBondContact OG-OG 3.32Å
421	S	37.7	Very low	42.2	Very low	111 Å²	111	103.5 Å²	103.5	78%	0.776	57%	0.57	S	S	*	*			trans	-74.4	35.3	169.1	53.6	0	0	0	0	112.3	R419	R419-S421 PolarHBondContact O-N 3.41Å
422	S	47.8	Very low	42.7	Very low	54 Å²	54	104.8 Å²	104.8	38%	0.378	57%	0.57	S	S	.	*	H	α-helix	trans	-79.6	-22.2	-161.7	43.7	0	0	0	0	115.1	S420	S420-S422 WeakPolarHBondContact CB-OG 3.45Å; S420-S422 PolarHBondContact O-N 2.96Å; S420-S422 PolarHBondContact O-OG 3.48Å; S420-S422 PolarHBondContact OG-OG 3.32Å
423	N	53.6	Low	43.8	Very low	58 Å²	58	101.7 Å²	101.7	31%	0.31	56%	0.56	S	S	.	*	H	α-helix	trans	-87.9	-19.1	-161.6	-71.3	24.2	0	0	0	114.1	D439	N423-D439 PolarHBondContact ND2-OD2 2.94Å
424	I	55.6	Low	45.1	Very low	38 Å²	38	98.4 Å²	98.4	20%	0.195	54%	0.542	C	S	.	.	H	α-helix	trans	-82.4	-43.5	-179.8	-77.5	174.1	0	0	0	111.9	Y427 I428 E446 L450	I424-Y427 PolarHBondContact O-N 3.44Å; I424-I428 HydrophobicContact CG2-CD1 3.74Å; I424-I428 WeakPolarHBondContact O-CD1 3.19Å; I424-I428 VanDerWaalsContact O-CG1 3.25Å; I424-I428 WeakPolarHBondContact O-CG1 3.13Å; I424-I428 PolarHBondContact O-N 3.06Å; I424-I428 VanDerWaalsContact O-N 3.09Å; I424-E446 HydrophobicContact CD1-CB 4.1Å; I424-E446 HydrophobicContact CD1-CG 3.83Å; I424-L450 HydrophobicContact CG1-CD2 4.38Å
425	E	54.5	Low	46.1	Very low	151 Å²	151	96.4 Å²	96.4	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-39.7	-178.6	-64	-174	154.4	0	0	111.7	Y427 I428 H429	E425-Y427 PolarHBondContact O-N 2.85Å; E425-I428 PolarHBondContact O-N 3.35Å; E425-H429 PolarHBondContact O-N 3.3Å; E425-H429 VanDerWaalsContact O-N 3.1Å
426	Q	52.9	Low	47.9	Very low	111 Å²	111	92.7 Å²	92.7	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-43.2	173.2	-168.6	65.7	52.8	0	0	112.1	I428 H429 D430	Q426-I428 PolarHBondContact O-N 3.38Å; Q426-H429 PolarHBondContact O-N 3.4Å; Q426-D430 VanDerWaalsContact NE2-CG 3.34Å; Q426-D430 PolarHBondContact NE2-OD1 3.03Å; Q426-D430 PolarHBondContact NE2-OD2 3.44Å; Q426-D430 WeakPolarHBondContact O-CB 3.34Å; Q426-D430 VanDerWaalsContact O-CG 3.26Å; Q426-D430 PolarHBondContact O-N 3.47Å
427	Y	53.9	Low	49.2	Very low	5 Å²	5	90.8 Å²	90.8	2%	0.02	48%	0.477	C	S	.	.	H	α-helix	trans	-65.6	-37.7	176.9	175.2	-104.8	0	0	0	113.3	I424 E425 H429 D430 L431 F436 L438 L450	I424-Y427 PolarHBondContact O-N 3.44Å; E425-Y427 PolarHBondContact O-N 2.85Å; Y427-H429 VanDerWaalsContact C-N 3.28Å; Y427-H429 PolarHBondContact O-N 3.3Å; Y427-D430 PolarHBondContact O-N 3.01Å; Y427-L431 HydrophobicContact CD1-CD1 4Å; Y427-L431 HydrophobicContact CD1-CG 4.41Å; Y427-L431 HydrophobicContact CD2-CG 4.5Å; Y427-L431 HydrophobicContact CE1-CD1 3.62Å; Y427-L431 HydrophobicContact CE1-CG 4.11Å; Y427-L431 HydrophobicContact CE2-CD2 4.24Å; Y427-L431 HydrophobicContact CE2-CG 4.18Å; Y427-L431 WeakPolarHBondContact O-CG 3.5Å; Y427-L431 PolarHBondContact O-N 2.86Å; Y427-L431 VanDerWaalsContact O-N 3.16Å; Y427-F436 HydrophobicContact CD2-CD2 4.2Å; Y427-F436 HydrophobicContact CD2-CE2 4.15Å; Y427-F436 HydrophobicContact CE2-CD2 4.17Å; Y427-F436 HydrophobicContact CE2-CE1 4.27Å; Y427-F436 AromaticContact CE2-CE2 3.67Å; Y427-F436 HydrophobicContact CE2-CE2 3.67Å; Y427-F436 AromaticContact CE2-CZ 3.72Å; Y427-F436 HydrophobicContact CE2-CZ 3.72Å; Y427-L438 HydrophobicContact CD2-CD1 3.79Å; Y427-L438 HydrophobicContact CD2-CD2 3.34Å; Y427-L438 HydrophobicContact CD2-CG 3.68Å; Y427-L438 HydrophobicContact CE2-CD1 3.62Å; Y427-L438 HydrophobicContact CE2-CD2 4.09Å; Y427-L438 HydrophobicContact CE2-CG 3.94Å; Y427-L438 HydrophobicContact CG-CD2 3.79Å; Y427-L450 HydrophobicContact CD1-CD2 3.16Å; Y427-L450 HydrophobicContact CD1-CG 4.44Å; Y427-L450 HydrophobicContact CE1-CB 4.03Å; Y427-L450 HydrophobicContact CE1-CD2 3.46Å; Y427-L450 VanDerWaalsContact CE1-CD2 3.46Å; Y427-L450 HydrophobicContact CE1-CG 4.35Å; Y427-L450 HydrophobicContact CG-CD2 3.75Å; Y427-L450 PolarHBondContact OH-O 2.94Å
428	I	53.8	Low	50.8	Low	68 Å²	68	84.8 Å²	84.8	35%	0.349	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-40.2	176.9	-65.7	159.7	0	0	0	110.2	I424 E425 Q426 K453	I424-I428 HydrophobicContact CG2-CD1 3.74Å; I424-I428 WeakPolarHBondContact O-CD1 3.19Å; I424-I428 VanDerWaalsContact O-CG1 3.25Å; I424-I428 WeakPolarHBondContact O-CG1 3.13Å; I424-I428 PolarHBondContact O-N 3.06Å; I424-I428 VanDerWaalsContact O-N 3.09Å; E425-I428 PolarHBondContact O-N 3.35Å; Q426-I428 PolarHBondContact O-N 3.38Å; I428-K453 HydrophobicContact CG1-CD 4.05Å
429	H	53.2	Low	52.3	Low	125 Å²	125	79.9 Å²	79.9	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-70.7	-37.6	177.1	-179.2	-85	0	0	0	113.3	E425 Q426 Y427	E425-H429 PolarHBondContact O-N 3.3Å; E425-H429 VanDerWaalsContact O-N 3.1Å; Q426-H429 PolarHBondContact O-N 3.4Å; Y427-H429 VanDerWaalsContact C-N 3.28Å; Y427-H429 PolarHBondContact O-N 3.3Å
430	D	54	Low	53.5	Low	40 Å²	40	68.7 Å²	68.7	21%	0.214	38%	0.376	C	S	.	.	H	α-helix	trans	-90.6	-5.6	-171.8	-64	-15.6	0	0	0	114.4	Q426 Y427 D432 N433 F436	Q426-D430 VanDerWaalsContact NE2-CG 3.34Å; Q426-D430 PolarHBondContact NE2-OD1 3.03Å; Q426-D430 PolarHBondContact NE2-OD2 3.44Å; Q426-D430 WeakPolarHBondContact O-CB 3.34Å; Q426-D430 VanDerWaalsContact O-CG 3.26Å; Q426-D430 PolarHBondContact O-N 3.47Å; Y427-D430 PolarHBondContact O-N 3.01Å; D430-D432 VanDerWaalsContact C-N 3.33Å; D430-D432 PolarHBondContact O-N 3.09Å; D430-N433 PolarHBondContact O-N 3.47Å; D430-F436 HydrophobicContact CB-CB 3.88Å
431	L	52.8	Low	55	Low	22 Å²	22	71.4 Å²	71.4	12%	0.115	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.5	174.7	-96	168.5	0	0	0	113.1	Y427 N433 F436 K453 N458	Y427-L431 HydrophobicContact CD1-CD1 4Å; Y427-L431 HydrophobicContact CD1-CG 4.41Å; Y427-L431 HydrophobicContact CD2-CG 4.5Å; Y427-L431 HydrophobicContact CE1-CD1 3.62Å; Y427-L431 HydrophobicContact CE1-CG 4.11Å; Y427-L431 HydrophobicContact CE2-CD2 4.24Å; Y427-L431 HydrophobicContact CE2-CG 4.18Å; Y427-L431 WeakPolarHBondContact O-CG 3.5Å; Y427-L431 PolarHBondContact O-N 2.86Å; Y427-L431 VanDerWaalsContact O-N 3.16Å; L431-N433 VanDerWaalsContact C-N 3.31Å; L431-N433 PolarHBondContact O-N 2.88Å; L431-F436 HydrophobicContact CD2-CE1 4.09Å; L431-K453 HydrophobicContact CD1-CB 4.29Å; L431-N458 HydrophobicContact CD2-CB 4.32Å
432	D	45.2	Very low	56.4	Low	136 Å²	136	68.2 Å²	68.2	73%	0.727	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-25	-176.6	-67.9	-26.5	0	0	0	112.7	D430 N434	D430-D432 VanDerWaalsContact C-N 3.33Å; D430-D432 PolarHBondContact O-N 3.09Å; D432-N434 VanDerWaalsContact C-N 3.3Å; D432-N434 PolarHBondContact O-N 2.96Å
433	N	50.9	Low	57.7	Low	105 Å²	105	68.7 Å²	68.7	56%	0.561	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	7.7	-171.8	-71	-55.7	0	0	0	114.8	D430 L431 S435	D430-N433 PolarHBondContact O-N 3.47Å; L431-N433 VanDerWaalsContact C-N 3.31Å; L431-N433 PolarHBondContact O-N 2.88Å; N433-S435 PolarHBondContact O-N 3.44Å
434	N	53.3	Low	58.7	Low	70 Å²	70	72.1 Å²	72.1	37%	0.374	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	8	178	-86.4	-84	0	0	0	117	D432 W460 Q487	D432-N434 VanDerWaalsContact C-N 3.3Å; D432-N434 PolarHBondContact O-N 2.96Å; N434-W460 PolarHBondContact OD1-NE1 3.33Å; N434-Q487 PolarHBondContact O-NE2 3.01Å; N434-Q487 VanDerWaalsContact O-NE2 3.07Å
435	S	55.7	Low	59.6	Low	70 Å²	70	77 Å²	77	49%	0.49	39%	0.391	S	S	.	.			trans	-154.6	97.8	-177.7	166.3	0	0	0	0	110.8	N433 M472	N433-S435 PolarHBondContact O-N 3.44Å; S435-M472 WeakPolarHBondContact CA-O 3.34Å
436	F	68.4	Low	60.7	Low	9 Å²	9	73 Å²	73	4%	0.039	37%	0.373	C	S	.	.			trans	-131.5	174.1	178.2	67.7	-102	0	0	0	112	Y427 D430 L431 L438 I469 K471 M472	Y427-F436 HydrophobicContact CD2-CD2 4.2Å; Y427-F436 HydrophobicContact CD2-CE2 4.15Å; Y427-F436 HydrophobicContact CE2-CD2 4.17Å; Y427-F436 HydrophobicContact CE2-CE1 4.27Å; Y427-F436 AromaticContact CE2-CE2 3.67Å; Y427-F436 HydrophobicContact CE2-CE2 3.67Å; Y427-F436 AromaticContact CE2-CZ 3.72Å; Y427-F436 HydrophobicContact CE2-CZ 3.72Å; D430-F436 HydrophobicContact CB-CB 3.88Å; L431-F436 HydrophobicContact CD2-CE1 4.09Å; F436-L438 HydrophobicContact CD2-CG 4.22Å; F436-L438 HydrophobicContact CE2-CD1 4.41Å; F436-L438 HydrophobicContact CE2-CG 4.06Å; F436-I469 VanDerWaalsContact CE2-O 3.3Å; F436-I469 WeakPolarHBondContact CE2-O 3.47Å; F436-I469 HydrophobicContact CZ-CB 4.37Å; F436-I469 HydrophobicContact CZ-CG2 4.27Å; F436-K471 WeakPolarHBondContact O-CG 3.08Å; F436-M472 HydrophobicContact CD1-CG 3.9Å; F436-M472 HydrophobicContact CD1-SD 4.15Å; F436-M472 HydrophobicContact CE1-CE 3.54Å; F436-M472 HydrophobicContact CE1-CG 3.69Å; F436-M472 HydrophobicContact CE1-SD 3.61Å; F436-M472 HydrophobicContact CZ-CE 3.8Å; F436-M472 HydrophobicContact CZ-CG 4.22Å; F436-M472 HydrophobicContact CZ-SD 4.39Å
437	E	59.3	Low	61.9	Low	73 Å²	73	70.2 Å²	70.2	34%	0.341	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-143.9	127	173	-168.7	166.6	163.8	0	0	110.4	K471 K550	E437-K471 HydrophobicContact CB-CG 4.36Å; E437-K471 HydrophobicContact CG-CD 4.09Å; E437-K471 HydrophobicContact CG-CG 4.27Å; E437-K471 WeakPolarHBondContact OE2-CE 3.39Å; E437-K471 IonicContact OE2-NZ 3.75Å; E437-K471 PolarHBondContact OE2-NZ 3.24Å; E437-K550 HydrophobicContact CG-CD 4.22Å; E437-K550 HydrophobicContact CG-CG 4.29Å; E437-K550 WeakPolarHBondContact OE1-CD 3.37Å
438	L	63.9	Low	63.2	Low	7 Å²	7	77.8 Å²	77.8	4%	0.037	39%	0.392	C	S	.	.			trans	-105.3	143.9	179.3	-80	-173.1	0	0	0	111.9	Y427 F436 F442 L450 L468 L470 K550	Y427-L438 HydrophobicContact CD2-CD1 3.79Å; Y427-L438 HydrophobicContact CD2-CD2 3.34Å; Y427-L438 HydrophobicContact CD2-CG 3.68Å; Y427-L438 HydrophobicContact CE2-CD1 3.62Å; Y427-L438 HydrophobicContact CE2-CD2 4.09Å; Y427-L438 HydrophobicContact CE2-CG 3.94Å; Y427-L438 HydrophobicContact CG-CD2 3.79Å; F436-L438 HydrophobicContact CD2-CG 4.22Å; F436-L438 HydrophobicContact CE2-CD1 4.41Å; F436-L438 HydrophobicContact CE2-CG 4.06Å; L438-F442 HydrophobicContact CB-CE2 4.2Å; L438-F442 HydrophobicContact CB-CZ 3.97Å; L438-F442 HydrophobicContact CD1-CE2 4.01Å; L438-F442 HydrophobicContact CD1-CZ 4.01Å; L438-F442 HydrophobicContact CD2-CZ 3.91Å; L438-F442 HydrophobicContact CG-CZ 4.19Å; L438-L450 HydrophobicContact CD1-CD1 4.42Å; L438-L468 HydrophobicContact CD1-CD1 4.48Å; L438-L468 HydrophobicContact CD1-CD2 4.11Å; L438-L468 HydrophobicContact CD1-CG 4.32Å; L438-L470 HydrophobicContact CB-CD2 4.38Å; L438-L470 PolarHBondContact N-O 3.36Å; L438-K550 WeakPolarHBondContact O-CE 3.35Å; L438-K550 PolarHBondContact O-NZ 2.9Å
439	D	63.1	Low	64.6	Low	82 Å²	82	78.1 Å²	78.1	44%	0.439	39%	0.394	S	S	.	.			trans	-66.4	163.4	168.4	-73.3	-30.8	0	0	0	112.8	N423 F442	N423-D439 PolarHBondContact ND2-OD2 2.94Å; D439-F442 WeakPolarHBondContact O-CE2 3.49Å; D439-F442 VanDerWaalsContact O-CZ 3.27Å; D439-F442 WeakPolarHBondContact O-CZ 3.45Å
440	L	61	Low	66	Low	12 Å²	12	72.3 Å²	72.3	6%	0.063	37%	0.367	C	S	.	.	S	Bend	trans	-93.7	9.6	-178.3	-59.3	-168.5	0	0	0	114.5	L470 E553 V554 K557	L440-L470 HydrophobicContact CD2-CD1 3.48Å; L440-L470 VanDerWaalsContact CD2-CD1 3.48Å; L440-L470 HydrophobicContact CD2-CD2 4.08Å; L440-L470 HydrophobicContact CD2-CG 4.25Å; L440-E553 HydrophobicContact CD1-CB 3.91Å; L440-E553 HydrophobicContact CD1-CG 3.55Å; L440-E553 WeakPolarHBondContact CD1-OE1 3.45Å; L440-E553 HydrophobicContact CG-CG 4.25Å; L440-E553 VanDerWaalsContact CG-OE1 3.24Å; L440-E553 WeakPolarHBondContact CG-OE1 3.37Å; L440-V554 HydrophobicContact CD1-CG2 3.99Å; L440-V554 HydrophobicContact CD2-CG2 3.89Å; L440-K557 HydrophobicContact CB-CD 4.25Å; L440-K557 HydrophobicContact CD1-CD 4.1Å; L440-K557 PolarHBondContact O-NZ 3.11Å
441	L	63.8	Low	67.5	Low	153 Å²	153	72.2 Å²	72.2	80%	0.801	37%	0.367	S	S	*	.			trans	-119.2	92.2	-173.5	-63.4	176	0	0	0	110
442	F	67.3	Low	69	Low	44 Å²	44	75.5 Å²	75.5	19%	0.193	38%	0.384	C	S	.	.			trans	-126.1	154.3	170.6	-58	-58.6	0	0	0	109.2	L438 D439 E446 K447 L450 L468	L438-F442 HydrophobicContact CB-CE2 4.2Å; L438-F442 HydrophobicContact CB-CZ 3.97Å; L438-F442 HydrophobicContact CD1-CE2 4.01Å; L438-F442 HydrophobicContact CD1-CZ 4.01Å; L438-F442 HydrophobicContact CD2-CZ 3.91Å; L438-F442 HydrophobicContact CG-CZ 4.19Å; D439-F442 WeakPolarHBondContact O-CE2 3.49Å; D439-F442 VanDerWaalsContact O-CZ 3.27Å; D439-F442 WeakPolarHBondContact O-CZ 3.45Å; F442-E446 VanDerWaalsContact CA-OE2 3.29Å; F442-E446 WeakPolarHBondContact CA-OE2 3.46Å; F442-E446 HydrophobicContact CB-CB 4.1Å; F442-K447 HydrophobicContact CB-CB 4.39Å; F442-L450 HydrophobicContact CD1-CD1 3.72Å; F442-L450 HydrophobicContact CD2-CD1 3.82Å; F442-L450 HydrophobicContact CE1-CD1 3.72Å; F442-L450 HydrophobicContact CE2-CD1 3.81Å; F442-L450 HydrophobicContact CG-CD1 3.8Å; F442-L450 HydrophobicContact CZ-CD1 3.78Å; F442-L468 HydrophobicContact CD2-CD2 4.33Å; F442-L468 HydrophobicContact CE2-CD2 4.29Å
443	T	75.8	Confident	70.8	Confident	64 Å²	64	72.4 Å²	72.4	39%	0.393	36%	0.364	S	S	.	.			trans	-74.3	165.4	159.6	86.9	0	0	0	0	110.4	E445 E446 K447	T443-E445 WeakPolarHBondContact CB-OE2 3.48Å; T443-E445 PolarHBondContact O-N 3.2Å; T443-E445 PolarHBondContact OG1-N 3.19Å; T443-E445 PolarHBondContact OG1-OE2 3.17Å; T443-E446 HydrophobicContact CG2-CG 4.38Å; T443-E446 PolarHBondContact N-OE2 2.64Å; T443-E446 PolarHBondContact O-N 3.19Å; T443-E446 PolarHBondContact OG1-N 3.22Å; T443-K447 VanDerWaalsContact O-CB 3.3Å; T443-K447 WeakPolarHBondContact O-CB 3.2Å; T443-K447 PolarHBondContact O-N 2.98Å
444	E	73.8	Confident	72.5	Confident	130 Å²	130	67.4 Å²	67.4	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-67.6	-27.6	177.5	-64.7	-61.9	145.1	0	0	111.7	K447 K448	E444-K447 IonicContact OE2-NZ 2.72Å; E444-K448 VanDerWaalsContact O-CB 3.28Å; E444-K448 WeakPolarHBondContact O-CB 3.43Å; E444-K448 PolarHBondContact O-N 2.91Å
445	E	74.6	Confident	74.1	Confident	140 Å²	140	67.3 Å²	67.3	65%	0.654	34%	0.34	S	S	*	.	H	α-helix	trans	-68.5	-47	173	-56.4	73.6	-159.8	0	0	111.6	T443 K448 L449	T443-E445 WeakPolarHBondContact CB-OE2 3.48Å; T443-E445 PolarHBondContact O-N 3.2Å; T443-E445 PolarHBondContact OG1-N 3.19Å; T443-E445 PolarHBondContact OG1-OE2 3.17Å; E445-K448 PolarHBondContact O-N 3.02Å; E445-L449 PolarHBondContact O-N 3.46Å; E445-L449 VanDerWaalsContact O-N 3.13Å
446	E	77.8	Confident	75.2	Confident	66 Å²	66	70 Å²	70	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-50.6	175	-65.7	-177.4	127.2	0	0	110.5	I424 F442 T443 K448 L449 L450	I424-E446 HydrophobicContact CD1-CB 4.1Å; I424-E446 HydrophobicContact CD1-CG 3.83Å; F442-E446 VanDerWaalsContact CA-OE2 3.29Å; F442-E446 WeakPolarHBondContact CA-OE2 3.46Å; F442-E446 HydrophobicContact CB-CB 4.1Å; T443-E446 HydrophobicContact CG2-CG 4.38Å; T443-E446 PolarHBondContact N-OE2 2.64Å; T443-E446 PolarHBondContact O-N 3.19Å; T443-E446 PolarHBondContact OG1-N 3.22Å; E446-K448 VanDerWaalsContact C-N 3.29Å; E446-K448 PolarHBondContact O-N 2.97Å; E446-L449 WeakPolarHBondContact O-CB 3.13Å; E446-L449 PolarHBondContact O-N 3.5Å; E446-L450 VanDerWaalsContact O-CG 3.28Å; E446-L450 WeakPolarHBondContact O-CG 3.37Å; E446-L450 PolarHBondContact O-N 2.89Å
447	K	77.8	Confident	75.7	Confident	53 Å²	53	72.2 Å²	72.2	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-53.3	-44.3	175.5	166.3	175.8	160.1	167.8	0	112.4	F442 T443 E444 L449 L450 L451 E492	F442-K447 HydrophobicContact CB-CB 4.39Å; T443-K447 VanDerWaalsContact O-CB 3.3Å; T443-K447 WeakPolarHBondContact O-CB 3.2Å; T443-K447 PolarHBondContact O-N 2.98Å; E444-K447 IonicContact OE2-NZ 2.72Å; K447-L449 VanDerWaalsContact C-N 3.32Å; K447-L449 PolarHBondContact O-N 2.9Å; K447-L450 PolarHBondContact O-N 2.95Å; K447-L451 WeakPolarHBondContact O-CB 3.41Å; K447-L451 PolarHBondContact O-N 2.76Å; K447-E492 WeakPolarHBondContact CD-OE2 3.41Å; K447-E492 WeakPolarHBondContact CE-OE1 3.23Å; K447-E492 WeakPolarHBondContact CE-OE2 3.31Å; K447-E492 IonicContact NZ-OE1 2.87Å; K447-E492 PolarHBondContact NZ-OE1 3.35Å; K447-E492 IonicContact NZ-OE2 2.8Å; K447-E492 PolarHBondContact NZ-OE2 2.83Å
448	K	81.7	Confident	76.9	Confident	164 Å²	164	69.3 Å²	69.3	71%	0.713	36%	0.361	S	S	*	.	H	α-helix	trans	-61.8	-40.1	177.7	-173.3	179.1	-178.2	-176.5	0	111.9	E444 E445 E446 D452	E444-K448 VanDerWaalsContact O-CB 3.28Å; E444-K448 WeakPolarHBondContact O-CB 3.43Å; E444-K448 PolarHBondContact O-N 2.91Å; E445-K448 PolarHBondContact O-N 3.02Å; E446-K448 VanDerWaalsContact C-N 3.29Å; E446-K448 PolarHBondContact O-N 2.97Å; K448-D452 WeakPolarHBondContact O-CB 3.38Å; K448-D452 PolarHBondContact O-N 2.89Å
449	L	83.2	Confident	78	Confident	76 Å²	76	71.3 Å²	71.3	40%	0.398	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-40.9	175.3	-178.1	65.2	0	0	0	112.3	E445 E446 K447 K453	E445-L449 PolarHBondContact O-N 3.46Å; E445-L449 VanDerWaalsContact O-N 3.13Å; E446-L449 WeakPolarHBondContact O-CB 3.13Å; E446-L449 PolarHBondContact O-N 3.5Å; K447-L449 VanDerWaalsContact C-N 3.32Å; K447-L449 PolarHBondContact O-N 2.9Å; L449-K453 WeakPolarHBondContact O-CG 3.36Å; L449-K453 PolarHBondContact O-N 3.06Å; L449-K453 VanDerWaalsContact O-N 3.14Å
450	L	82.3	Confident	79.3	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.7	-63.4	169.1	0	0	0	111.5	I424 Y427 L438 F442 E446 K447 Q454 L468	I424-L450 HydrophobicContact CG1-CD2 4.38Å; Y427-L450 HydrophobicContact CD1-CD2 3.16Å; Y427-L450 HydrophobicContact CD1-CG 4.44Å; Y427-L450 HydrophobicContact CE1-CB 4.03Å; Y427-L450 HydrophobicContact CE1-CD2 3.46Å; Y427-L450 VanDerWaalsContact CE1-CD2 3.46Å; Y427-L450 HydrophobicContact CE1-CG 4.35Å; Y427-L450 HydrophobicContact CG-CD2 3.75Å; Y427-L450 PolarHBondContact OH-O 2.94Å; L438-L450 HydrophobicContact CD1-CD1 4.42Å; F442-L450 HydrophobicContact CD1-CD1 3.72Å; F442-L450 HydrophobicContact CD2-CD1 3.82Å; F442-L450 HydrophobicContact CE1-CD1 3.72Å; F442-L450 HydrophobicContact CE2-CD1 3.81Å; F442-L450 HydrophobicContact CG-CD1 3.8Å; F442-L450 HydrophobicContact CZ-CD1 3.78Å; E446-L450 VanDerWaalsContact O-CG 3.28Å; E446-L450 WeakPolarHBondContact O-CG 3.37Å; E446-L450 PolarHBondContact O-N 2.89Å; K447-L450 PolarHBondContact O-N 2.95Å; L450-Q454 WeakPolarHBondContact O-CB 3.17Å; L450-Q454 PolarHBondContact O-N 2.93Å; L450-L468 HydrophobicContact CB-CD1 3.75Å; L450-L468 HydrophobicContact CB-CD2 4.06Å; L450-L468 HydrophobicContact CD1-CD2 4.03Å
451	L	86.1	Confident	80.7	Confident	39 Å²	39	69 Å²	69	20%	0.204	36%	0.36	C	S	.	.	H	α-helix	trans	-72.8	-38.6	179.2	-176.9	61.5	0	0	0	112.8	K447 K453 Q454 T455 H461 N466	K447-L451 WeakPolarHBondContact O-CB 3.41Å; K447-L451 PolarHBondContact O-N 2.76Å; L451-K453 VanDerWaalsContact C-N 3.34Å; L451-Q454 PolarHBondContact O-N 3.23Å; L451-T455 WeakPolarHBondContact O-CB 3.42Å; L451-T455 PolarHBondContact O-N 2.8Å; L451-T455 PolarHBondContact O-OG1 3.4Å; L451-H461 WeakPolarHBondContact CD1-CE1 3.28Å; L451-N466 WeakPolarHBondContact CD1-O 3.42Å; L451-N466 WeakPolarHBondContact CD2-O 3.38Å
452	D	83.9	Confident	82	Confident	91 Å²	91	68 Å²	68	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-61	-44.1	172.6	-178.2	66.5	0	0	0	111	K448 Q454 T455 N456	K448-D452 WeakPolarHBondContact O-CB 3.38Å; K448-D452 PolarHBondContact O-N 2.89Å; D452-Q454 PolarHBondContact O-N 2.75Å; D452-T455 PolarHBondContact O-N 2.89Å; D452-N456 PolarHBondContact O-N 3.01Å; D452-N456 VanDerWaalsContact O-N 3.11Å; D452-N456 PolarHBondContact O-ND2 2.83Å; D452-N456 PolarHBondContact OD1-ND2 2.83Å
453	K	82.6	Confident	83.1	Confident	70 Å²	70	67.1 Å²	67.1	30%	0.304	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-38.8	173.7	-70.4	-174.4	179.1	-169.8	0	113	I428 L431 L449 L451 T455 N456 G457	I428-K453 HydrophobicContact CG1-CD 4.05Å; L431-K453 HydrophobicContact CD1-CB 4.29Å; L449-K453 WeakPolarHBondContact O-CG 3.36Å; L449-K453 PolarHBondContact O-N 3.06Å; L449-K453 VanDerWaalsContact O-N 3.14Å; L451-K453 VanDerWaalsContact C-N 3.34Å; K453-T455 VanDerWaalsContact C-N 3.34Å; K453-T455 PolarHBondContact O-N 2.94Å; K453-N456 PolarHBondContact O-N 3.42Å; K453-G457 PolarHBondContact O-N 3.25Å
454	Q	87.1	Confident	83.7	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-42.8	173.6	-171.1	-175.3	-82.5	0	0	111.9	L450 L451 D452 N456 N458 H461 N467 I469	L450-Q454 WeakPolarHBondContact O-CB 3.17Å; L450-Q454 PolarHBondContact O-N 2.93Å; L451-Q454 PolarHBondContact O-N 3.23Å; D452-Q454 PolarHBondContact O-N 2.75Å; Q454-N456 VanDerWaalsContact C-N 3.34Å; Q454-N456 PolarHBondContact O-N 3.25Å; Q454-N458 HydrophobicContact CG-CB 3.88Å; Q454-N458 VanDerWaalsContact O-CB 3.29Å; Q454-N458 WeakPolarHBondContact O-CB 3.48Å; Q454-N458 PolarHBondContact O-N 2.7Å; Q454-H461 HydrophobicContact CG-CB 4.28Å; Q454-H461 PolarHBondContact NE2-ND1 3.37Å; Q454-N467 PolarHBondContact NE2-O 3.15Å; Q454-I469 HydrophobicContact CG-CD1 4.46Å; Q454-I469 VanDerWaalsContact OE1-CB 3.31Å; Q454-I469 VanDerWaalsContact OE1-CG1 3.3Å
455	T	86.1	Confident	84.3	Confident	69 Å²	69	64.7 Å²	64.7	42%	0.423	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-41.7	-179.4	-53	0	0	0	0	111.6	L451 D452 K453 H461	L451-T455 WeakPolarHBondContact O-CB 3.42Å; L451-T455 PolarHBondContact O-N 2.8Å; L451-T455 PolarHBondContact O-OG1 3.4Å; D452-T455 PolarHBondContact O-N 2.89Å; K453-T455 VanDerWaalsContact C-N 3.34Å; K453-T455 PolarHBondContact O-N 2.94Å; T455-H461 PolarHBondContact OG1-CE1 2.95Å
456	N	80.1	Confident	84.9	Confident	125 Å²	125	63 Å²	63	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-86.5	-29.2	-175.9	-67.9	-62.3	0	0	0	113.9	D452 K453 Q454	D452-N456 PolarHBondContact O-N 3.01Å; D452-N456 VanDerWaalsContact O-N 3.11Å; D452-N456 PolarHBondContact O-ND2 2.83Å; D452-N456 PolarHBondContact OD1-ND2 2.83Å; K453-N456 PolarHBondContact O-N 3.42Å; Q454-N456 VanDerWaalsContact C-N 3.34Å; Q454-N456 PolarHBondContact O-N 3.25Å
457	G	79.5	Confident	85.4	Confident	57 Å²	57	61.3 Å²	61.3	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-111	-25	-172.7	0	0	0	0	0	116.5	K453	K453-G457 PolarHBondContact O-N 3.25Å
458	N	83.8	Confident	85.8	Confident	11 Å²	11	58.9 Å²	58.9	6%	0.059	31%	0.309	C	S	.	.			trans	-99.6	119.3	-167.6	-161.9	-80.7	0	0	0	113.5	L431 Q454 W460 H461 M472	L431-N458 HydrophobicContact CD2-CB 4.32Å; Q454-N458 HydrophobicContact CG-CB 3.88Å; Q454-N458 VanDerWaalsContact O-CB 3.29Å; Q454-N458 WeakPolarHBondContact O-CB 3.48Å; Q454-N458 PolarHBondContact O-N 2.7Å; N458-W460 PolarHBondContact O-N 3.28Å; N458-W460 WeakPolarHBondContact OD1-CB 3.46Å; N458-W460 VanDerWaalsContact OD1-CD1 3.32Å; N458-W460 PolarHBondContact OD1-N 2.74Å; N458-H461 WeakPolarHBondContact O-CB 3.48Å; N458-H461 PolarHBondContact O-N 2.96Å; N458-H461 VanDerWaalsContact O-N 3.14Å; N458-M472 WeakPolarHBondContact ND2-CE 3.48Å; N458-M472 WeakPolarHBondContact OD1-CE 3.42Å
459	P	86.3	Confident	86.2	Confident	50 Å²	50	51 Å²	51	33%	0.325	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.8	-175.4	27.7	-35.7	0	0	0	114	Q462	P459-Q462 PolarHBondContact O-NE2 2.92Å
460	W	90.5	Very high	86.4	Confident	18 Å²	18	47.8 Å²	47.8	7%	0.068	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.5	-179.4	-46.9	110.7	0	0	0	113.7	N434 N458 Q462 F463 I469 Q487 L489 V499 P501	N434-W460 PolarHBondContact OD1-NE1 3.33Å; N458-W460 PolarHBondContact O-N 3.28Å; N458-W460 WeakPolarHBondContact OD1-CB 3.46Å; N458-W460 VanDerWaalsContact OD1-CD1 3.32Å; N458-W460 PolarHBondContact OD1-N 2.74Å; W460-Q462 PolarHBondContact O-N 3.34Å; W460-F463 HydrophobicContact CE3-CD2 4.17Å; W460-F463 AromaticContact CE3-CE2 3.94Å; W460-F463 HydrophobicContact CE3-CE2 3.94Å; W460-F463 HydrophobicContact CZ3-CE2 4.43Å; W460-F463 PolarHBondContact O-N 2.6Å; W460-I469 HydrophobicContact CB-CD1 4.5Å; W460-Q487 HydrophobicContact CD2-CB 4.45Å; W460-Q487 HydrophobicContact CD2-CG 3.96Å; W460-Q487 HydrophobicContact CE3-CB 4.48Å; W460-Q487 HydrophobicContact CE3-CG 4.47Å; W460-Q487 HydrophobicContact CG-CG 4.28Å; W460-Q487 HydrophobicContact CZ2-CB 4.44Å; W460-Q487 HydrophobicContact CZ2-CG 4.26Å; W460-L489 HydrophobicContact CB-CD1 3.88Å; W460-L489 HydrophobicContact CB-CD2 3.85Å; W460-L489 HydrophobicContact CG-CD2 4.09Å; W460-V499 HydrophobicContact CE3-CB 4.36Å; W460-V499 HydrophobicContact CE3-CG1 3.93Å; W460-V499 HydrophobicContact CZ3-CG1 3.82Å; W460-P501 HydrophobicContact CH2-CB 3.84Å; W460-P501 HydrophobicContact CZ2-CB 4.5Å
461	H	90.9	Very high	86.7	Confident	26 Å²	26	48.3 Å²	48.3	12%	0.12	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-53.3	-39.4	-178.3	-178.1	95.8	0	0	0	113.2	L451 Q454 T455 N458 F463 V464 N466	L451-H461 WeakPolarHBondContact CD1-CE1 3.28Å; Q454-H461 HydrophobicContact CG-CB 4.28Å; Q454-H461 PolarHBondContact NE2-ND1 3.37Å; T455-H461 PolarHBondContact OG1-CE1 2.95Å; N458-H461 WeakPolarHBondContact O-CB 3.48Å; N458-H461 PolarHBondContact O-N 2.96Å; N458-H461 VanDerWaalsContact O-N 3.14Å; H461-F463 PolarHBondContact O-N 2.92Å; H461-V464 VanDerWaalsContact O-CG2 3.23Å; H461-V464 WeakPolarHBondContact O-CG2 3.19Å; H461-V464 PolarHBondContact O-N 2.71Å; H461-V464 VanDerWaalsContact O-N 3.16Å; H461-N466 VanDerWaalsContact NE2-CG 3.35Å; H461-N466 PolarHBondContact NE2-OD1 3.49Å
462	Q	90.4	Very high	87	Confident	132 Å²	132	46.4 Å²	46.4	62%	0.617	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58.7	-14.8	179.7	69.5	-171.9	-62.2	0	0	115.1	P459 W460	P459-Q462 PolarHBondContact O-NE2 2.92Å; W460-Q462 PolarHBondContact O-N 3.34Å
463	F	91.3	Very high	87.3	Confident	26 Å²	26	42.2 Å²	42.2	11%	0.114	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-105.1	3.6	-177.9	-51.7	-64.4	0	0	0	114.2	W460 H461 L489 V499 R504 L506	W460-F463 HydrophobicContact CE3-CD2 4.17Å; W460-F463 AromaticContact CE3-CE2 3.94Å; W460-F463 HydrophobicContact CE3-CE2 3.94Å; W460-F463 HydrophobicContact CZ3-CE2 4.43Å; W460-F463 PolarHBondContact O-N 2.6Å; H461-F463 PolarHBondContact O-N 2.92Å; F463-L489 HydrophobicContact CB-CD1 4.4Å; F463-V499 HydrophobicContact CB-CG2 3.8Å; F463-V499 HydrophobicContact CD2-CB 4.41Å; F463-V499 HydrophobicContact CD2-CG1 3.84Å; F463-V499 HydrophobicContact CD2-CG2 3.69Å; F463-V499 HydrophobicContact CE2-CG1 3.75Å; F463-V499 HydrophobicContact CE2-CG2 4.44Å; F463-V499 HydrophobicContact CG-CG1 4.33Å; F463-V499 HydrophobicContact CG-CG2 3.74Å; F463-V499 HydrophobicContact CZ-CG1 4.15Å; F463-R504 HydrophobicContact CZ-CB 4.27Å; F463-R504 WeakPolarHBondContact CZ-O 3.23Å; F463-L506 HydrophobicContact CD1-CB 3.89Å; F463-L506 HydrophobicContact CG-CB 4.5Å
464	V	88.9	Confident	87.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	15.8	-170.7	-57.5	0	0	0	0	115.1	H461 N466 N467 I469 L489 T491 Y497	H461-V464 VanDerWaalsContact O-CG2 3.23Å; H461-V464 WeakPolarHBondContact O-CG2 3.19Å; H461-V464 PolarHBondContact O-N 2.71Å; H461-V464 VanDerWaalsContact O-N 3.16Å; V464-N466 VanDerWaalsContact C-N 3.27Å; V464-N466 PolarHBondContact O-N 2.75Å; V464-N466 VanDerWaalsContact O-N 3.15Å; V464-N467 WeakPolarHBondContact CG2-O 3.46Å; V464-N467 WeakPolarHBondContact O-CB 3.1Å; V464-N467 PolarHBondContact O-N 2.71Å; V464-N467 PolarHBondContact O-ND2 3.35Å; V464-I469 HydrophobicContact CB-CG1 4.33Å; V464-I469 HydrophobicContact CG1-CD1 3.93Å; V464-I469 HydrophobicContact CG1-CG1 3.97Å; V464-I469 HydrophobicContact CG2-CD1 3.92Å; V464-I469 HydrophobicContact CG2-CG1 3.89Å; V464-L489 HydrophobicContact CG1-CB 4.16Å; V464-L489 HydrophobicContact CG1-CD1 3.61Å; V464-T491 HydrophobicContact CB-CG2 3.86Å; V464-T491 HydrophobicContact CG1-CG2 3.92Å; V464-Y497 HydrophobicContact CB-CD2 4.24Å; V464-Y497 HydrophobicContact CB-CE2 3.94Å; V464-Y497 HydrophobicContact CG1-CD2 3.73Å; V464-Y497 HydrophobicContact CG1-CE2 3.97Å
465	E	86.5	Confident	87.9	Confident	144 Å²	144	40.7 Å²	40.7	67%	0.673	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.5	169.8	-58.3	-177.1	-173.1	0	0	113.8	N467	E465-N467 PolarHBondContact O-N 2.65Å
466	N	86.3	Confident	88.1	Confident	104 Å²	104	39.2 Å²	39.2	56%	0.556	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	15.8	-176.2	-55.1	-41.4	0	0	0	116	L451 H461 V464	L451-N466 WeakPolarHBondContact CD1-O 3.42Å; L451-N466 WeakPolarHBondContact CD2-O 3.38Å; H461-N466 VanDerWaalsContact NE2-CG 3.35Å; H461-N466 PolarHBondContact NE2-OD1 3.49Å; V464-N466 VanDerWaalsContact C-N 3.27Å; V464-N466 PolarHBondContact O-N 2.75Å; V464-N466 VanDerWaalsContact O-N 3.15Å
467	N	87.8	Confident	88.5	Confident	31 Å²	31	34 Å²	34	17%	0.166	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-78	142.3	169.8	-64.3	-86.7	0	0	0	111.1	Q454 V464 E465 I469 T491 E492 G493	Q454-N467 PolarHBondContact NE2-O 3.15Å; V464-N467 WeakPolarHBondContact CG2-O 3.46Å; V464-N467 WeakPolarHBondContact O-CB 3.1Å; V464-N467 PolarHBondContact O-N 2.71Å; V464-N467 PolarHBondContact O-ND2 3.35Å; E465-N467 PolarHBondContact O-N 2.65Å; N467-I469 PolarHBondContact O-N 3.31Å; N467-T491 HydrophobicContact CB-CG2 4.07Å; N467-E492 HydrophobicContact CB-CG 4.36Å; N467-G493 WeakPolarHBondContact OD1-CA 3.34Å; N467-G493 PolarHBondContact OD1-N 3.04Å
468	L	87.5	Confident	88.4	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-64.4	131	168.4	-174.5	65.8	0	0	0	110.7	L438 F442 L450 L470 T491 E492	L438-L468 HydrophobicContact CD1-CD1 4.48Å; L438-L468 HydrophobicContact CD1-CD2 4.11Å; L438-L468 HydrophobicContact CD1-CG 4.32Å; F442-L468 HydrophobicContact CD2-CD2 4.33Å; F442-L468 HydrophobicContact CE2-CD2 4.29Å; L450-L468 HydrophobicContact CB-CD1 3.75Å; L450-L468 HydrophobicContact CB-CD2 4.06Å; L450-L468 HydrophobicContact CD1-CD2 4.03Å; L468-L470 HydrophobicContact CD2-CD2 4.46Å; L468-T491 CarbonylContact O-C 3.55Å; L468-T491 VanDerWaalsContact O-CA 3.23Å; L468-T491 WeakPolarHBondContact O-CA 3.35Å; L468-T491 WeakPolarHBondContact O-CB 3.42Å; L468-E492 HydrophobicContact CB-CG 3.93Å; L468-E492 VanDerWaalsContact CB-OE1 3.26Å; L468-E492 WeakPolarHBondContact CB-OE1 3.3Å; L468-E492 PolarHBondContact N-OE1 2.98Å; L468-E492 PolarHBondContact O-N 2.91Å
469	I	89.3	Confident	87.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.9	176.2	-57.8	166.3	0	0	0	107.9	F436 Q454 W460 V464 N467 K471 M472 L489 L490 T491	F436-I469 VanDerWaalsContact CE2-O 3.3Å; F436-I469 WeakPolarHBondContact CE2-O 3.47Å; F436-I469 HydrophobicContact CZ-CB 4.37Å; F436-I469 HydrophobicContact CZ-CG2 4.27Å; Q454-I469 HydrophobicContact CG-CD1 4.46Å; Q454-I469 VanDerWaalsContact OE1-CB 3.31Å; Q454-I469 VanDerWaalsContact OE1-CG1 3.3Å; W460-I469 HydrophobicContact CB-CD1 4.5Å; V464-I469 HydrophobicContact CB-CG1 4.33Å; V464-I469 HydrophobicContact CG1-CD1 3.93Å; V464-I469 HydrophobicContact CG1-CG1 3.97Å; V464-I469 HydrophobicContact CG2-CD1 3.92Å; V464-I469 HydrophobicContact CG2-CG1 3.89Å; N467-I469 PolarHBondContact O-N 3.31Å; I469-K471 WeakPolarHBondContact CG2-O 2.95Å; I469-M472 HydrophobicContact CB-CE 4.07Å; I469-M472 HydrophobicContact CD1-CE 3.54Å; I469-M472 HydrophobicContact CG1-CE 4.39Å; I469-M472 HydrophobicContact CG2-CB 4.11Å; I469-M472 HydrophobicContact CG2-CE 3.64Å; I469-L489 HydrophobicContact CD1-CD2 4.46Å; I469-L490 CarbonylContact C-O 3.45Å; I469-T491 HydrophobicContact CB-CG2 4.45Å; I469-T491 HydrophobicContact CG1-CG2 3.88Å
470	L	87.4	Confident	86	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-25.6	-177.4	-60.8	171.3	0	0	0	112.5	L438 L440 L468 L490 E492 V554	L438-L470 HydrophobicContact CB-CD2 4.38Å; L438-L470 PolarHBondContact N-O 3.36Å; L440-L470 HydrophobicContact CD2-CD1 3.48Å; L440-L470 VanDerWaalsContact CD2-CD1 3.48Å; L440-L470 HydrophobicContact CD2-CD2 4.08Å; L440-L470 HydrophobicContact CD2-CG 4.25Å; L468-L470 HydrophobicContact CD2-CD2 4.46Å; L470-L490 PolarHBondContact N-O 3.25Å; L470-E492 HydrophobicContact CD1-CB 3.98Å; L470-E492 HydrophobicContact CD2-CB 4.44Å; L470-E492 HydrophobicContact CG-CB 4.27Å; L470-V554 HydrophobicContact CD1-CG2 3.76Å
471	K	89	Confident	83.6	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	136.3	171.7	-167.6	174.5	177.9	61.7	0	110.2	F436 E437 I469 L490 W547 K550	F436-K471 WeakPolarHBondContact O-CG 3.08Å; E437-K471 HydrophobicContact CB-CG 4.36Å; E437-K471 HydrophobicContact CG-CD 4.09Å; E437-K471 HydrophobicContact CG-CG 4.27Å; E437-K471 WeakPolarHBondContact OE2-CE 3.39Å; E437-K471 IonicContact OE2-NZ 3.75Å; E437-K471 PolarHBondContact OE2-NZ 3.24Å; I469-K471 WeakPolarHBondContact CG2-O 2.95Å; K471-L490 HydrophobicContact CB-CB 4.2Å; K471-L490 HydrophobicContact CB-CD2 4.22Å; K471-L490 PolarHBondContact N-O 2.92Å; K471-L490 PolarHBondContact O-N 3.43Å; K471-W547 HydrophobicContact CB-CH2 4.31Å; K471-W547 HydrophobicContact CB-CZ3 4.06Å; K471-W547 HydrophobicContact CD-CD2 3.92Å; K471-W547 HydrophobicContact CD-CE3 3.76Å; K471-W547 HydrophobicContact CD-CH2 4.15Å; K471-W547 HydrophobicContact CD-CZ2 4.29Å; K471-W547 HydrophobicContact CD-CZ3 3.88Å; K471-W547 HydrophobicContact CG-CE3 4.28Å; K471-W547 HydrophobicContact CG-CH2 3.83Å; K471-W547 HydrophobicContact CG-CZ2 4.2Å; K471-W547 HydrophobicContact CG-CZ3 3.86Å; K471-K550 HydrophobicContact CB-CG 4.38Å; K471-K550 HydrophobicContact CD-CB 4.23Å; K471-K550 HydrophobicContact CD-CG 4.3Å
472	M	90.9	Very high	81.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.6	169	64.8	176.3	59.5	0	0	112.3	S435 F436 N458 I469 L488 L489	S435-M472 WeakPolarHBondContact CA-O 3.34Å; F436-M472 HydrophobicContact CD1-CG 3.9Å; F436-M472 HydrophobicContact CD1-SD 4.15Å; F436-M472 HydrophobicContact CE1-CE 3.54Å; F436-M472 HydrophobicContact CE1-CG 3.69Å; F436-M472 HydrophobicContact CE1-SD 3.61Å; F436-M472 HydrophobicContact CZ-CE 3.8Å; F436-M472 HydrophobicContact CZ-CG 4.22Å; F436-M472 HydrophobicContact CZ-SD 4.39Å; N458-M472 WeakPolarHBondContact ND2-CE 3.48Å; N458-M472 WeakPolarHBondContact OD1-CE 3.42Å; I469-M472 HydrophobicContact CB-CE 4.07Å; I469-M472 HydrophobicContact CD1-CE 3.54Å; I469-M472 HydrophobicContact CG1-CE 4.39Å; I469-M472 HydrophobicContact CG2-CB 4.11Å; I469-M472 HydrophobicContact CG2-CE 3.64Å; M472-L488 VanDerWaalsContact CA-O 3.29Å; M472-L488 WeakPolarHBondContact CA-O 3.49Å; M472-L489 HydrophobicContact CB-CD2 3.75Å; M472-L489 HydrophobicContact CE-CD2 4.2Å
473	G	90.5	Very high	80.6	Confident	3 Å²	3	52.7 Å²	52.7	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	166.6	169.9	0	0	0	0	0	113.2	Q487 L488	G473-Q487 PolarHBondContact O-OE1 2.9Å; G473-L488 PolarHBondContact N-O 3.21Å; G473-L488 PolarHBondContact O-N 2.85Å
474	P	91.8	Very high	80.1	Confident	37 Å²	37	58.4 Å²	58.4	24%	0.24	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.3	178.7	29.5	-34.4	0	0	0	111.4	R486 P540	P474-R486 CarbonylContact C-O 3.56Å; P474-R486 WeakPolarHBondContact CA-O 3.36Å; P474-P540 HydrophobicContact CG-CG 4.38Å; P474-P540 WeakPolarHBondContact O-CD 3.3Å
475	V	91.4	Very high	80.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.5	173.2	-55.2	0	0	0	0	111.3	R485 R486 L488 F526 L537 M538 W547	V475-R485 CarbonylContact O-C 3.38Å; V475-R486 HydrophobicContact CG2-CB 4.33Å; V475-R486 PolarHBondContact N-O 3.47Å; V475-R486 PolarHBondContact O-N 3.31Å; V475-R486 VanDerWaalsContact O-O 3.13Å; V475-L488 HydrophobicContact CG1-CB 3.99Å; V475-L488 HydrophobicContact CG1-CD2 3.97Å; V475-L488 HydrophobicContact CG2-CB 3.78Å; V475-L488 HydrophobicContact CG2-CD2 4.26Å; V475-L488 HydrophobicContact CG2-CG 4.43Å; V475-F526 HydrophobicContact CG1-CE1 4.38Å; V475-F526 HydrophobicContact CG1-CZ 4.36Å; V475-L537 HydrophobicContact CG2-CD2 4.1Å; V475-M538 CarbonylContact C-O 3.59Å; V475-M538 WeakPolarHBondContact CA-O 3.45Å; V475-M538 WeakPolarHBondContact CB-O 3.23Å; V475-W547 HydrophobicContact CG1-CZ2 4.49Å
476	D	90.7	Very high	80.5	Confident	38 Å²	38	57.9 Å²	57.9	20%	0.203	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.9	174.9	-57.5	-49.8	0	0	0	109.9	A483 R485 M538	D476-A483 HydrophobicContact CB-CB 4.26Å; D476-R485 VanDerWaalsContact CG-NH1 3.32Å; D476-R485 WeakPolarHBondContact OD1-CA 3.47Å; D476-R485 WeakPolarHBondContact OD1-CD 3.49Å; D476-R485 IonicContact OD1-CZ 2.71Å; D476-R485 IonicContact OD1-NE 3.73Å; D476-R485 IonicContact OD1-NH1 3.58Å; D476-R485 PolarHBondContact OD1-NH1 3.05Å; D476-R485 IonicContact OD2-NH1 3.79Å; D476-R485 PolarHBondContact OD2-NH1 2.74Å; D476-M538 HydrophobicContact CB-CB 4.33Å; D476-M538 PolarHBondContact N-O 3.44Å; D476-M538 PolarHBondContact O-N 2.98Å
477	K	87.6	Confident	80.9	Confident	16 Å²	16	53.3 Å²	53.3	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	-170.5	-175.9	167.3	-162.6	-73.4	0	111.5	K479 A483 R484 R486 Y498 L537	K477-K479 PolarHBondContact O-N 3.3Å; K477-A483 WeakPolarHBondContact O-CA 3Å; K477-R484 PolarHBondContact N-O 2.86Å; K477-R484 PolarHBondContact O-N 3.47Å; K477-R486 HydrophobicContact CB-CG 3.98Å; K477-R486 HydrophobicContact CD-CG 4.37Å; K477-Y498 HydrophobicContact CD-CD1 4.03Å; K477-Y498 HydrophobicContact CD-CD2 3.56Å; K477-Y498 HydrophobicContact CD-CE1 4.28Å; K477-Y498 HydrophobicContact CD-CE2 3.84Å; K477-Y498 HydrophobicContact CD-CG 3.67Å; K477-Y498 VanDerWaalsContact CE-CE1 3.43Å; K477-Y498 VanDerWaalsContact NZ-CZ 3.27Å; K477-Y498 PolarHBondContact NZ-OH 3.02Å; K477-L537 HydrophobicContact CB-CD2 3.82Å; K477-L537 HydrophobicContact CD-CD2 3.88Å; K477-L537 HydrophobicContact CG-CD2 3.64Å
478	R	77.8	Confident	81.3	Confident	137 Å²	137	51.9 Å²	51.9	52%	0.517	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.7	179.7	-156.3	175.2	-178.3	162.4	6.4	111.5	G480 Y536	R478-G480 WeakPolarHBondContact CG-O 3.27Å; R478-G480 PolarHBondContact NE-O 2.86Å; R478-Y536 PolarHBondContact N-O 3.25Å
479	K	60.8	Low	81.6	Confident	159 Å²	159	51.8 Å²	51.8	69%	0.691	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	90.2	170.2	-172.7	-177.9	178	-177.5	0	108.8	K477 F482	K477-K479 PolarHBondContact O-N 3.3Å; K479-F482 PolarHBondContact N-O 2.82Å
480	G	59.1	Low	81.8	Confident	60 Å²	60	51.8 Å²	51.8	62%	0.619	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-131.5	-172.6	0	0	0	0	0	111.5	R478 F482	R478-G480 WeakPolarHBondContact CG-O 3.27Å; R478-G480 PolarHBondContact NE-O 2.86Å; G480-F482 VanDerWaalsContact C-N 3.31Å
481	L	39.9	Very low	82	Confident	148 Å²	148	51.5 Å²	51.5	78%	0.775	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21.6	178.7	-63.1	177.6	0	0	0	113.4
482	F	46.6	Very low	81.6	Confident	118 Å²	118	53.2 Å²	53.2	52%	0.518	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146.6	-172.8	-50.9	-76.2	0	0	0	112.5	K479 G480	K479-F482 PolarHBondContact N-O 2.82Å; G480-F482 VanDerWaalsContact C-N 3.31Å
483	A	72	Confident	80.8	Confident	65 Å²	65	54 Å²	54	54%	0.537	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	157.3	160	0	0	0	0	0	110.3	D476 K477	D476-A483 HydrophobicContact CB-CB 4.26Å; K477-A483 WeakPolarHBondContact O-CA 3Å
484	R	80.6	Confident	80	Confident	146 Å²	146	55.6 Å²	55.6	55%	0.551	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	137.4	168.8	-66.5	-168.3	179.9	-152.3	-1.2	110.4	K477	K477-R484 PolarHBondContact N-O 2.86Å; K477-R484 PolarHBondContact O-N 3.47Å
485	R	90.9	Very high	79.7	Confident	108 Å²	108	56.2 Å²	56.2	41%	0.408	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.4	176.3	-164.1	62.9	159.7	-164	-6.2	111.6	V475 D476 P501	V475-R485 CarbonylContact O-C 3.38Å; D476-R485 VanDerWaalsContact CG-NH1 3.32Å; D476-R485 WeakPolarHBondContact OD1-CA 3.47Å; D476-R485 WeakPolarHBondContact OD1-CD 3.49Å; D476-R485 IonicContact OD1-CZ 2.71Å; D476-R485 IonicContact OD1-NE 3.73Å; D476-R485 IonicContact OD1-NH1 3.58Å; D476-R485 PolarHBondContact OD1-NH1 3.05Å; D476-R485 IonicContact OD2-NH1 3.79Å; D476-R485 PolarHBondContact OD2-NH1 2.74Å; R485-P501 HydrophobicContact CG-CG 4.11Å
486	R	93.5	Very high	79.8	Confident	24 Å²	24	56.2 Å²	56.2	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145	176.4	-64.5	-64.5	171.5	-119.7	25.4	110	P474 V475 K477 Y498 V499 D500	P474-R486 CarbonylContact C-O 3.56Å; P474-R486 WeakPolarHBondContact CA-O 3.36Å; V475-R486 HydrophobicContact CG2-CB 4.33Å; V475-R486 PolarHBondContact N-O 3.47Å; V475-R486 PolarHBondContact O-N 3.31Å; V475-R486 VanDerWaalsContact O-O 3.13Å; K477-R486 HydrophobicContact CB-CG 3.98Å; K477-R486 HydrophobicContact CD-CG 4.37Å; R486-Y498 HydrophobicContact CG-CD2 4.33Å; R486-V499 CarbonylContact C-O 3.51Å; R486-V499 WeakPolarHBondContact CA-O 3.31Å; R486-V499 WeakPolarHBondContact CB-O 3.16Å; R486-V499 WeakPolarHBondContact CD-O 3.24Å; R486-D500 IonicContact CZ-OD2 2.83Å; R486-D500 VanDerWaalsContact NH1-CG 3.25Å; R486-D500 IonicContact NH1-OD1 2.87Å; R486-D500 IonicContact NH1-OD2 3.98Å; R486-D500 PolarHBondContact NH1-OD2 3.31Å; R486-D500 IonicContact NH2-OD2 2.72Å; R486-D500 PolarHBondContact NH2-OD2 2.83Å
487	Q	94.4	Very high	80	Confident	9 Å²	9	54.6 Å²	54.6	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120	159.2	-170.1	72.1	-9.1	0	0	106.8	N434 W460 G473 L489 Y498 V499	N434-Q487 PolarHBondContact O-NE2 3.01Å; N434-Q487 VanDerWaalsContact O-NE2 3.07Å; W460-Q487 HydrophobicContact CD2-CB 4.45Å; W460-Q487 HydrophobicContact CD2-CG 3.96Å; W460-Q487 HydrophobicContact CE3-CB 4.48Å; W460-Q487 HydrophobicContact CE3-CG 4.47Å; W460-Q487 HydrophobicContact CG-CG 4.28Å; W460-Q487 HydrophobicContact CZ2-CB 4.44Å; W460-Q487 HydrophobicContact CZ2-CG 4.26Å; G473-Q487 PolarHBondContact O-OE1 2.9Å; Q487-L489 HydrophobicContact CG-CD2 3.75Å; Q487-Y498 WeakPolarHBondContact O-CA 3.41Å; Q487-V499 HydrophobicContact CB-CB 4.48Å; Q487-V499 PolarHBondContact N-O 2.79Å; Q487-V499 PolarHBondContact O-N 3.26Å
488	L	95.2	Very high	80.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.9	175	-169.1	67.4	0	0	0	108.5	M472 G473 V475 L496 F526 L537 W547	M472-L488 VanDerWaalsContact CA-O 3.29Å; M472-L488 WeakPolarHBondContact CA-O 3.49Å; G473-L488 PolarHBondContact N-O 3.21Å; G473-L488 PolarHBondContact O-N 2.85Å; V475-L488 HydrophobicContact CG1-CB 3.99Å; V475-L488 HydrophobicContact CG1-CD2 3.97Å; V475-L488 HydrophobicContact CG2-CB 3.78Å; V475-L488 HydrophobicContact CG2-CD2 4.26Å; V475-L488 HydrophobicContact CG2-CG 4.43Å; L488-L496 HydrophobicContact CD1-CD1 3.72Å; L488-L496 HydrophobicContact CD1-CG 4.06Å; L488-L496 HydrophobicContact CD2-CD1 4.15Å; L488-L496 HydrophobicContact CG-CD1 3.78Å; L488-F526 HydrophobicContact CD2-CE2 4.35Å; L488-F526 HydrophobicContact CD2-CZ 3.86Å; L488-L537 HydrophobicContact CD2-CD1 4.17Å; L488-W547 HydrophobicContact CB-CH2 3.89Å; L488-W547 HydrophobicContact CB-CZ2 4.25Å; L488-W547 HydrophobicContact CB-CZ3 4.39Å; L488-W547 HydrophobicContact CD2-CD2 4.02Å; L488-W547 HydrophobicContact CD2-CE3 3.7Å; L488-W547 HydrophobicContact CD2-CH2 3.86Å; L488-W547 HydrophobicContact CD2-CZ2 4.17Å; L488-W547 HydrophobicContact CD2-CZ3 3.62Å; L488-W547 HydrophobicContact CG-CH2 3.97Å; L488-W547 HydrophobicContact CG-CZ3 3.93Å
489	L	94.3	Very high	81	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.3	-178.1	-48.5	172.8	0	0	0	108.5	W460 F463 V464 I469 M472 Q487 L496 Y497 V499	W460-L489 HydrophobicContact CB-CD1 3.88Å; W460-L489 HydrophobicContact CB-CD2 3.85Å; W460-L489 HydrophobicContact CG-CD2 4.09Å; F463-L489 HydrophobicContact CB-CD1 4.4Å; V464-L489 HydrophobicContact CG1-CB 4.16Å; V464-L489 HydrophobicContact CG1-CD1 3.61Å; I469-L489 HydrophobicContact CD1-CD2 4.46Å; M472-L489 HydrophobicContact CB-CD2 3.75Å; M472-L489 HydrophobicContact CE-CD2 4.2Å; Q487-L489 HydrophobicContact CG-CD2 3.75Å; L489-L496 CarbonylContact O-C 3.53Å; L489-L496 WeakPolarHBondContact O-CA 3.14Å; L489-Y497 PolarHBondContact N-O 2.99Å; L489-Y497 PolarHBondContact O-N 2.89Å; L489-V499 HydrophobicContact CD1-CG2 3.77Å
490	L	93.2	Very high	82.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.6	174.5	171.1	62.9	0	0	0	108.8	I469 L470 K471 L496 W512 W547 K550 I551 V554	I469-L490 CarbonylContact C-O 3.45Å; L470-L490 PolarHBondContact N-O 3.25Å; K471-L490 HydrophobicContact CB-CB 4.2Å; K471-L490 HydrophobicContact CB-CD2 4.22Å; K471-L490 PolarHBondContact N-O 2.92Å; K471-L490 PolarHBondContact O-N 3.43Å; L490-L496 HydrophobicContact CB-CD1 4.01Å; L490-L496 HydrophobicContact CD1-CD1 4.33Å; L490-W512 HydrophobicContact CD1-CH2 3.81Å; L490-W512 HydrophobicContact CD1-CZ2 3.49Å; L490-W512 VanDerWaalsContact CD1-CZ2 3.49Å; L490-W547 HydrophobicContact CB-CZ3 4.15Å; L490-K550 HydrophobicContact CD2-CB 4.05Å; L490-K550 HydrophobicContact CD2-CG 3.79Å; L490-I551 HydrophobicContact CD1-CG1 4.45Å; L490-I551 HydrophobicContact CD2-CG1 4.11Å; L490-V554 HydrophobicContact CD1-CG2 4.36Å; L490-V554 HydrophobicContact CD2-CG2 4.29Å; L490-V554 HydrophobicContact CG-CG2 4.45Å
491	T	91	Very high	83.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	168.2	-172.1	51.9	0	0	0	0	113.9	V464 N467 L468 I469 G493 H495 Y497	V464-T491 HydrophobicContact CB-CG2 3.86Å; V464-T491 HydrophobicContact CG1-CG2 3.92Å; N467-T491 HydrophobicContact CB-CG2 4.07Å; L468-T491 CarbonylContact O-C 3.55Å; L468-T491 VanDerWaalsContact O-CA 3.23Å; L468-T491 WeakPolarHBondContact O-CA 3.35Å; L468-T491 WeakPolarHBondContact O-CB 3.42Å; I469-T491 HydrophobicContact CB-CG2 4.45Å; I469-T491 HydrophobicContact CG1-CG2 3.88Å; T491-G493 CarbonylContact C-O 3.28Å; T491-G493 VanDerWaalsContact C-O 3.28Å; T491-G493 WeakPolarHBondContact CB-O 3.5Å; T491-G493 PolarHBondContact OG1-O 2.93Å; T491-H495 PolarHBondContact N-O 2.8Å; T491-H495 WeakPolarHBondContact OG1-CB 3.45Å; T491-H495 PolarHBondContact OG1-O 2.84Å; T491-Y497 HydrophobicContact CG2-CD2 4.39Å; T491-Y497 HydrophobicContact CG2-CE2 4.26Å
492	E	82.3	Confident	86.1	Confident	49 Å²	49	39.5 Å²	39.5	23%	0.229	20%	0.2	C	C	.	.	S	Bend	trans	-72.4	-43.8	-178.8	61.5	168.2	155.9	0	0	114.8	K447 N467 L468 L470	K447-E492 WeakPolarHBondContact CD-OE2 3.41Å; K447-E492 WeakPolarHBondContact CE-OE1 3.23Å; K447-E492 WeakPolarHBondContact CE-OE2 3.31Å; K447-E492 IonicContact NZ-OE1 2.87Å; K447-E492 PolarHBondContact NZ-OE1 3.35Å; K447-E492 IonicContact NZ-OE2 2.8Å; K447-E492 PolarHBondContact NZ-OE2 2.83Å; N467-E492 HydrophobicContact CB-CG 4.36Å; L468-E492 HydrophobicContact CB-CG 3.93Å; L468-E492 VanDerWaalsContact CB-OE1 3.26Å; L468-E492 WeakPolarHBondContact CB-OE1 3.3Å; L468-E492 PolarHBondContact N-OE1 2.98Å; L468-E492 PolarHBondContact O-N 2.91Å; L470-E492 HydrophobicContact CD1-CB 3.98Å; L470-E492 HydrophobicContact CD2-CB 4.44Å; L470-E492 HydrophobicContact CG-CB 4.27Å
493	G	72.5	Confident	88	Confident	16 Å²	16	38.9 Å²	38.9	17%	0.165	20%	0.203	C	C	.	.	S	Bend	trans	-65.6	127.4	154.8	0	0	0	0	0	106.1	N467 T491 H495	N467-G493 WeakPolarHBondContact OD1-CA 3.34Å; N467-G493 PolarHBondContact OD1-N 3.04Å; T491-G493 CarbonylContact C-O 3.28Å; T491-G493 VanDerWaalsContact C-O 3.28Å; T491-G493 WeakPolarHBondContact CB-O 3.5Å; T491-G493 PolarHBondContact OG1-O 2.93Å; G493-H495 VanDerWaalsContact C-N 3.29Å; G493-H495 PolarHBondContact O-CD2 3.35Å; G493-H495 VanDerWaalsContact O-CD2 3.28Å; G493-H495 PolarHBondContact O-N 2.69Å
494	P	73.5	Confident	88.8	Confident	38 Å²	38	43.3 Å²	43.3	25%	0.247	21%	0.205	C	C	.	.	S	Bend	trans	-69.3	88.4	-167.4	24.8	-32.9	0	0	0	111.7	W512 I558	P494-W512 VanDerWaalsContact C-CD1 3.43Å; P494-W512 HydrophobicContact CB-CB 4.2Å; P494-W512 HydrophobicContact CB-CD2 3.63Å; P494-W512 HydrophobicContact CB-CE3 3.88Å; P494-W512 HydrophobicContact CB-CG 3.77Å; P494-W512 HydrophobicContact CB-CZ3 4.49Å; P494-W512 PolarHBondContact O-NE1 3.36Å; P494-I558 HydrophobicContact CB-CD1 3.49Å; P494-I558 VanDerWaalsContact CB-CD1 3.49Å; P494-I558 HydrophobicContact CG-CD1 3.59Å; P494-I558 HydrophobicContact CG-CG1 4.5Å
495	H	87.1	Confident	89.3	Confident	50 Å²	50	39.4 Å²	39.4	23%	0.231	20%	0.198	C	C	.	.			trans	-134	145.7	174.9	-54.1	-71	0	0	0	108.7	T491 G493 Y497 E509	T491-H495 PolarHBondContact N-O 2.8Å; T491-H495 WeakPolarHBondContact OG1-CB 3.45Å; T491-H495 PolarHBondContact OG1-O 2.84Å; G493-H495 VanDerWaalsContact C-N 3.29Å; G493-H495 PolarHBondContact O-CD2 3.35Å; G493-H495 VanDerWaalsContact O-CD2 3.28Å; G493-H495 PolarHBondContact O-N 2.69Å; H495-Y497 HydrophobicContact CB-CD2 3.82Å; H495-Y497 HydrophobicContact CB-CE1 4.04Å; H495-Y497 HydrophobicContact CB-CE2 3.23Å; H495-Y497 HydrophobicContact CB-CG 4.47Å; H495-Y497 AromaticContact CG-CE2 3.95Å; H495-Y497 AromaticContact CG-CZ 3.66Å; H495-E509 VanDerWaalsContact CA-OE1 3.31Å; H495-E509 WeakPolarHBondContact CA-OE1 3.33Å; H495-E509 HydrophobicContact CB-CG 4.35Å; H495-E509 WeakPolarHBondContact CB-OE1 2.82Å; H495-E509 IonicContact CG-OE1 2.69Å; H495-E509 IonicContact ND1-OE1 3.93Å; H495-E509 PolarHBondContact ND1-OE1 2.95Å; H495-E509 IonicContact ND1-OE2 3.19Å
496	L	92.7	Very high	89.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	75	-179.4	-176.7	56.2	0	0	0	108.1	L488 L489 L490 I510 W512 V528 I551	L488-L496 HydrophobicContact CD1-CD1 3.72Å; L488-L496 HydrophobicContact CD1-CG 4.06Å; L488-L496 HydrophobicContact CD2-CD1 4.15Å; L488-L496 HydrophobicContact CG-CD1 3.78Å; L489-L496 CarbonylContact O-C 3.53Å; L489-L496 WeakPolarHBondContact O-CA 3.14Å; L490-L496 HydrophobicContact CB-CD1 4.01Å; L490-L496 HydrophobicContact CD1-CD1 4.33Å; L496-I510 HydrophobicContact CB-CB 4.07Å; L496-I510 HydrophobicContact CB-CG1 4.45Å; L496-I510 HydrophobicContact CD2-CB 4.13Å; L496-I510 HydrophobicContact CD2-CD1 3.85Å; L496-I510 HydrophobicContact CD2-CG1 4.26Å; L496-I510 HydrophobicContact CG-CB 4.19Å; L496-I510 HydrophobicContact CG-CD1 4.08Å; L496-I510 HydrophobicContact CG-CG1 4.14Å; L496-I510 PolarHBondContact O-N 2.92Å; L496-W512 HydrophobicContact CB-CZ2 4.24Å; L496-V528 HydrophobicContact CD2-CG2 4.4Å; L496-I551 HydrophobicContact CD2-CD1 3.74Å; L496-I551 HydrophobicContact CD2-CG1 4.18Å
497	Y	94.3	Very high	89.4	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	147.7	-174.8	-54.8	-78.4	0	0	0	111.1	V464 L489 T491 H495 L506 E509	V464-Y497 HydrophobicContact CB-CD2 4.24Å; V464-Y497 HydrophobicContact CB-CE2 3.94Å; V464-Y497 HydrophobicContact CG1-CD2 3.73Å; V464-Y497 HydrophobicContact CG1-CE2 3.97Å; L489-Y497 PolarHBondContact N-O 2.99Å; L489-Y497 PolarHBondContact O-N 2.89Å; T491-Y497 HydrophobicContact CG2-CD2 4.39Å; T491-Y497 HydrophobicContact CG2-CE2 4.26Å; H495-Y497 HydrophobicContact CB-CD2 3.82Å; H495-Y497 HydrophobicContact CB-CE1 4.04Å; H495-Y497 HydrophobicContact CB-CE2 3.23Å; H495-Y497 HydrophobicContact CB-CG 4.47Å; H495-Y497 AromaticContact CG-CE2 3.95Å; H495-Y497 AromaticContact CG-CZ 3.66Å; Y497-L506 HydrophobicContact CD1-CD1 4.1Å; Y497-L506 HydrophobicContact CD1-CD2 4.42Å; Y497-L506 HydrophobicContact CG-CD1 4.43Å; Y497-E509 HydrophobicContact CD1-CB 4.2Å; Y497-E509 HydrophobicContact CD1-CG 3.78Å; Y497-E509 HydrophobicContact CE1-CG 4.1Å; Y497-E509 HydrophobicContact CG-CG 4.34Å
498	Y	94.1	Very high	89.2	Confident	24 Å²	24	41.2 Å²	41.2	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.4	170.4	52.9	-86.9	0	0	0	111.8	K477 R486 Q487 K507 G508 E509 I510 Y535	K477-Y498 HydrophobicContact CD-CD1 4.03Å; K477-Y498 HydrophobicContact CD-CD2 3.56Å; K477-Y498 HydrophobicContact CD-CE1 4.28Å; K477-Y498 HydrophobicContact CD-CE2 3.84Å; K477-Y498 HydrophobicContact CD-CG 3.67Å; K477-Y498 VanDerWaalsContact CE-CE1 3.43Å; K477-Y498 VanDerWaalsContact NZ-CZ 3.27Å; K477-Y498 PolarHBondContact NZ-OH 3.02Å; R486-Y498 HydrophobicContact CG-CD2 4.33Å; Q487-Y498 WeakPolarHBondContact O-CA 3.41Å; Y498-K507 HydrophobicContact CD2-CB 4Å; Y498-K507 HydrophobicContact CE2-CB 4Å; Y498-K507 WeakPolarHBondContact CE2-O 3.43Å; Y498-K507 PolarHBondContact O-N 3.41Å; Y498-G508 VanDerWaalsContact CD1-O 3.24Å; Y498-G508 WeakPolarHBondContact CD1-O 3.38Å; Y498-G508 VanDerWaalsContact CE1-C 3.42Å; Y498-G508 WeakPolarHBondContact CE1-O 3.46Å; Y498-G508 PolarHBondContact N-O 3.21Å; Y498-E509 WeakPolarHBondContact CE1-O 3.39Å; Y498-I510 HydrophobicContact CD1-CG1 4.21Å; Y498-I510 HydrophobicContact CE1-CG1 4.18Å; Y498-Y535 HydrophobicContact CE1-CE1 4.11Å
499	V	93.4	Very high	89.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.8	-176.8	-176.6	0	0	0	0	109.8	W460 F463 R486 Q487 L489 P501 L506	W460-V499 HydrophobicContact CE3-CB 4.36Å; W460-V499 HydrophobicContact CE3-CG1 3.93Å; W460-V499 HydrophobicContact CZ3-CG1 3.82Å; F463-V499 HydrophobicContact CB-CG2 3.8Å; F463-V499 HydrophobicContact CD2-CB 4.41Å; F463-V499 HydrophobicContact CD2-CG1 3.84Å; F463-V499 HydrophobicContact CD2-CG2 3.69Å; F463-V499 HydrophobicContact CE2-CG1 3.75Å; F463-V499 HydrophobicContact CE2-CG2 4.44Å; F463-V499 HydrophobicContact CG-CG1 4.33Å; F463-V499 HydrophobicContact CG-CG2 3.74Å; F463-V499 HydrophobicContact CZ-CG1 4.15Å; R486-V499 CarbonylContact C-O 3.51Å; R486-V499 WeakPolarHBondContact CA-O 3.31Å; R486-V499 WeakPolarHBondContact CB-O 3.16Å; R486-V499 WeakPolarHBondContact CD-O 3.24Å; Q487-V499 HydrophobicContact CB-CB 4.48Å; Q487-V499 PolarHBondContact N-O 2.79Å; Q487-V499 PolarHBondContact O-N 3.26Å; L489-V499 HydrophobicContact CD1-CG2 3.77Å; V499-P501 WeakPolarHBondContact O-CD 3.07Å; V499-L506 HydrophobicContact CG2-CD1 4.13Å
500	D	91.2	Very high	89	Confident	17 Å²	17	44 Å²	44	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.7	170	-163.6	-62.7	0	0	0	108.7	R486 V502 N503 R504 V505 K507	R486-D500 IonicContact CZ-OD2 2.83Å; R486-D500 VanDerWaalsContact NH1-CG 3.25Å; R486-D500 IonicContact NH1-OD1 2.87Å; R486-D500 IonicContact NH1-OD2 3.98Å; R486-D500 PolarHBondContact NH1-OD2 3.31Å; R486-D500 IonicContact NH2-OD2 2.72Å; R486-D500 PolarHBondContact NH2-OD2 2.83Å; D500-V502 PolarHBondContact O-N 2.72Å; D500-N503 HydrophobicContact CB-CB 4.4Å; D500-N503 PolarHBondContact O-N 2.9Å; D500-N503 PolarHBondContact OD1-N 2.91Å; D500-N503 PolarHBondContact OD1-ND2 2.89Å; D500-R504 WeakPolarHBondContact O-CA 3.27Å; D500-R504 PolarHBondContact O-N 2.83Å; D500-V505 WeakPolarHBondContact CB-O 3.26Å; D500-V505 PolarHBondContact N-O 3.07Å; D500-V505 PolarHBondContact O-N 3.2Å; D500-K507 HydrophobicContact CB-CD 4.14Å; D500-K507 HydrophobicContact CB-CG 3.77Å; D500-K507 WeakPolarHBondContact OD2-CE 3.34Å
501	P	88.4	Confident	88.8	Confident	33 Å²	33	47.1 Å²	47.1	21%	0.214	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.7	-164	26.1	-34	0	0	0	113	W460 R485 V499	W460-P501 HydrophobicContact CH2-CB 3.84Å; W460-P501 HydrophobicContact CZ2-CB 4.5Å; R485-P501 HydrophobicContact CG-CG 4.11Å; V499-P501 WeakPolarHBondContact O-CD 3.07Å
502	V	87.5	Confident	88.7	Confident	128 Å²	128	48.5 Å²	48.5	78%	0.776	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-50.5	177	-178.9	0	0	0	0	110.3	D500	D500-V502 PolarHBondContact O-N 2.72Å
503	N	86.8	Confident	89	Confident	106 Å²	106	47.2 Å²	47.2	57%	0.567	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.4	-174.3	-65.8	-92	0	0	0	113.6	D500 V505	D500-N503 HydrophobicContact CB-CB 4.4Å; D500-N503 PolarHBondContact O-N 2.9Å; D500-N503 PolarHBondContact OD1-N 2.91Å; D500-N503 PolarHBondContact OD1-ND2 2.89Å; N503-V505 HydrophobicContact CB-CG2 4.44Å; N503-V505 PolarHBondContact O-N 2.97Å
504	R	88.9	Confident	89.6	Confident	157 Å²	157	50.4 Å²	50.4	59%	0.592	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	52	-170.9	-57.7	-174.8	-177.2	-169.7	0.5	112.7	F463 D500	F463-R504 HydrophobicContact CZ-CB 4.27Å; F463-R504 WeakPolarHBondContact CZ-O 3.23Å; D500-R504 WeakPolarHBondContact O-CA 3.27Å; D500-R504 PolarHBondContact O-N 2.83Å
505	V	90.6	Very high	90.3	Very high	65 Å²	65	54.8 Å²	54.8	39%	0.394	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.6	178.9	172.5	0	0	0	0	110.5	D500 N503 K507	D500-V505 WeakPolarHBondContact CB-O 3.26Å; D500-V505 PolarHBondContact N-O 3.07Å; D500-V505 PolarHBondContact O-N 3.2Å; N503-V505 HydrophobicContact CB-CG2 4.44Å; N503-V505 PolarHBondContact O-N 2.97Å; V505-K507 HydrophobicContact CG1-CD 4.12Å; V505-K507 VanDerWaalsContact CG1-NZ 3.3Å; V505-K507 WeakPolarHBondContact O-CE 3.35Å; V505-K507 WeakPolarHBondContact O-CG 3.43Å; V505-K507 PolarHBondContact O-N 3.45Å
506	L	92.8	Very high	90.5	Very high	65 Å²	65	52.6 Å²	52.6	34%	0.34	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	129.2	170.5	178.7	60.1	0	0	0	110.6	F463 Y497 V499	F463-L506 HydrophobicContact CD1-CB 3.89Å; F463-L506 HydrophobicContact CG-CB 4.5Å; Y497-L506 HydrophobicContact CD1-CD1 4.1Å; Y497-L506 HydrophobicContact CD1-CD2 4.42Å; Y497-L506 HydrophobicContact CG-CD1 4.43Å; V499-L506 HydrophobicContact CG2-CD1 4.13Å
507	K	92.8	Very high	90.5	Very high	85 Å²	85	58.3 Å²	58.3	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	10.8	179.6	-55.2	-62.1	179.6	-173.9	0	113.2	Y498 D500 V505	Y498-K507 HydrophobicContact CD2-CB 4Å; Y498-K507 HydrophobicContact CE2-CB 4Å; Y498-K507 WeakPolarHBondContact CE2-O 3.43Å; Y498-K507 PolarHBondContact O-N 3.41Å; D500-K507 HydrophobicContact CB-CD 4.14Å; D500-K507 HydrophobicContact CB-CG 3.77Å; D500-K507 WeakPolarHBondContact OD2-CE 3.34Å; V505-K507 HydrophobicContact CG1-CD 4.12Å; V505-K507 VanDerWaalsContact CG1-NZ 3.3Å; V505-K507 WeakPolarHBondContact O-CE 3.35Å; V505-K507 WeakPolarHBondContact O-CG 3.43Å; V505-K507 PolarHBondContact O-N 3.45Å
508	G	91.1	Very high	90.5	Very high	28 Å²	28	58.9 Å²	58.9	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-171.6	176.2	0	0	0	0	0	113.3	Y498	Y498-G508 VanDerWaalsContact CD1-O 3.24Å; Y498-G508 WeakPolarHBondContact CD1-O 3.38Å; Y498-G508 VanDerWaalsContact CE1-C 3.42Å; Y498-G508 WeakPolarHBondContact CE1-O 3.46Å; Y498-G508 PolarHBondContact N-O 3.21Å
509	E	93.5	Very high	90.5	Very high	59 Å²	59	60.4 Å²	60.4	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	165	-171.9	-156.9	-165.4	139.8	0	0	111.3	H495 Y497 Y498 Y535	H495-E509 VanDerWaalsContact CA-OE1 3.31Å; H495-E509 WeakPolarHBondContact CA-OE1 3.33Å; H495-E509 HydrophobicContact CB-CG 4.35Å; H495-E509 WeakPolarHBondContact CB-OE1 2.82Å; H495-E509 IonicContact CG-OE1 2.69Å; H495-E509 IonicContact ND1-OE1 3.93Å; H495-E509 PolarHBondContact ND1-OE1 2.95Å; H495-E509 IonicContact ND1-OE2 3.19Å; Y497-E509 HydrophobicContact CD1-CB 4.2Å; Y497-E509 HydrophobicContact CD1-CG 3.78Å; Y497-E509 HydrophobicContact CE1-CG 4.1Å; Y497-E509 HydrophobicContact CG-CG 4.34Å; Y498-E509 WeakPolarHBondContact CE1-O 3.39Å; E509-Y535 PolarHBondContact O-OH 3.49Å
510	I	92.4	Very high	90.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.332	C	S	.	.			trans	-101.7	111	165.5	-48.2	-166.8	0	0	0	107.4	L496 Y498 W512 V528 T530 Y535 L537	L496-I510 HydrophobicContact CB-CB 4.07Å; L496-I510 HydrophobicContact CB-CG1 4.45Å; L496-I510 HydrophobicContact CD2-CB 4.13Å; L496-I510 HydrophobicContact CD2-CD1 3.85Å; L496-I510 HydrophobicContact CD2-CG1 4.26Å; L496-I510 HydrophobicContact CG-CB 4.19Å; L496-I510 HydrophobicContact CG-CD1 4.08Å; L496-I510 HydrophobicContact CG-CG1 4.14Å; L496-I510 PolarHBondContact O-N 2.92Å; Y498-I510 HydrophobicContact CD1-CG1 4.21Å; Y498-I510 HydrophobicContact CE1-CG1 4.18Å; I510-W512 VanDerWaalsContact O-CD1 3.27Å; I510-V528 HydrophobicContact CD1-CB 4.4Å; I510-V528 HydrophobicContact CG2-CB 4.39Å; I510-V528 HydrophobicContact CG2-CG1 3.88Å; I510-T530 HydrophobicContact CG2-CG2 3.86Å; I510-Y535 HydrophobicContact CB-CD1 4.3Å; I510-Y535 HydrophobicContact CB-CE1 4.15Å; I510-Y535 HydrophobicContact CD1-CD1 3.56Å; I510-Y535 HydrophobicContact CD1-CE1 4.21Å; I510-Y535 HydrophobicContact CD1-CG 3.8Å; I510-Y535 HydrophobicContact CG1-CD1 3.51Å; I510-Y535 HydrophobicContact CG1-CE1 3.61Å; I510-Y535 HydrophobicContact CG1-CG 4.05Å; I510-Y535 HydrophobicContact CG2-CD1 4.2Å; I510-Y535 HydrophobicContact CG2-CD2 3.77Å; I510-Y535 HydrophobicContact CG2-CE1 4.24Å; I510-Y535 HydrophobicContact CG2-CE2 3.81Å; I510-Y535 HydrophobicContact CG2-CG 3.98Å; I510-L537 HydrophobicContact CD1-CD1 4Å
511	P	88.1	Confident	89.9	Confident	65 Å²	65	66.2 Å²	66.2	42%	0.422	35%	0.348	S	S	.	.			trans	-72.7	135.3	-172	29.5	-35	0	0	0	111.5	T530 Y535	P511-T530 WeakPolarHBondContact O-CG2 3.19Å; P511-Y535 WeakPolarHBondContact CD-OH 3.28Å
512	W	89.2	Confident	89.5	Confident	30 Å²	30	68.3 Å²	68.3	11%	0.114	36%	0.357	C	S	.	.			trans	-83	149.5	-178.6	-69.5	69.7	0	0	0	112.4	L490 P494 L496 I510 L516 I551 V554 W555 Y559	L490-W512 HydrophobicContact CD1-CH2 3.81Å; L490-W512 HydrophobicContact CD1-CZ2 3.49Å; L490-W512 VanDerWaalsContact CD1-CZ2 3.49Å; P494-W512 VanDerWaalsContact C-CD1 3.43Å; P494-W512 HydrophobicContact CB-CB 4.2Å; P494-W512 HydrophobicContact CB-CD2 3.63Å; P494-W512 HydrophobicContact CB-CE3 3.88Å; P494-W512 HydrophobicContact CB-CG 3.77Å; P494-W512 HydrophobicContact CB-CZ3 4.49Å; P494-W512 PolarHBondContact O-NE1 3.36Å; L496-W512 HydrophobicContact CB-CZ2 4.24Å; I510-W512 VanDerWaalsContact O-CD1 3.27Å; W512-L516 HydrophobicContact CB-CD1 4.4Å; W512-L516 HydrophobicContact CD2-CD1 3.94Å; W512-L516 HydrophobicContact CE3-CD1 4.19Å; W512-L516 HydrophobicContact CG-CD1 4.04Å; W512-I551 HydrophobicContact CH2-CG2 4Å; W512-V554 HydrophobicContact CH2-CB 3.92Å; W512-V554 HydrophobicContact CH2-CG1 3.66Å; W512-V554 HydrophobicContact CZ2-CG1 4.43Å; W512-V554 HydrophobicContact CZ3-CB 4.27Å; W512-V554 HydrophobicContact CZ3-CG1 3.91Å; W512-W555 HydrophobicContact CE3-CB 4.48Å; W512-W555 HydrophobicContact CZ3-CB 3.82Å; W512-Y559 HydrophobicContact CB-CE2 4.41Å; W512-Y559 HydrophobicContact CE3-CE2 4.43Å
513	S	88	Confident	89	Confident	22 Å²	22	68.8 Å²	68.8	15%	0.154	35%	0.349	C	S	.	.			trans	-162.7	163.8	-178.2	55.7	0	0	0	0	111	E515 L516 P531 W555 Y559	S513-E515 PolarHBondContact O-N 3.39Å; S513-E515 VanDerWaalsContact O-N 3.1Å; S513-L516 WeakPolarHBondContact O-CB 3.49Å; S513-L516 PolarHBondContact O-N 2.59Å; S513-L516 PolarHBondContact OG-N 3.31Å; S513-P531 VanDerWaalsContact OG-CD 3.28Å; S513-P531 WeakPolarHBondContact OG-CD 3.39Å; S513-W555 PolarHBondContact O-NE1 3.14Å; S513-Y559 WeakPolarHBondContact CA-OH 3.45Å; S513-Y559 PolarHBondContact N-OH 3.23Å
514	S	86.3	Confident	88.7	Confident	82 Å²	82	67.5 Å²	67.5	57%	0.573	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-4.9	172	48.8	0	0	0	0	114.6	W555	S514-W555 WeakPolarHBondContact O-CZ2 3.43Å
515	E	86.4	Confident	88.6	Confident	131 Å²	131	61.2 Å²	61.2	61%	0.612	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	2.7	175.3	-67.6	171.9	-137.7	0	0	112.2	S513 R517 P531	S513-E515 PolarHBondContact O-N 3.39Å; S513-E515 VanDerWaalsContact O-N 3.1Å; E515-R517 PolarHBondContact O-N 3.39Å; E515-R517 VanDerWaalsContact O-N 3.16Å; E515-P531 HydrophobicContact CB-CG 3.95Å; E515-P531 HydrophobicContact CG-CG 4.49Å
516	L	91.9	Very high	88.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.299	C	S	.	.			trans	-63.3	119.9	178.5	-175.3	151.3	0	0	0	109.5	W512 S513 V528 H529 T530 I551	W512-L516 HydrophobicContact CB-CD1 4.4Å; W512-L516 HydrophobicContact CD2-CD1 3.94Å; W512-L516 HydrophobicContact CE3-CD1 4.19Å; W512-L516 HydrophobicContact CG-CD1 4.04Å; S513-L516 WeakPolarHBondContact O-CB 3.49Å; S513-L516 PolarHBondContact O-N 2.59Å; S513-L516 PolarHBondContact OG-N 3.31Å; L516-V528 HydrophobicContact CD1-CG1 4.09Å; L516-V528 HydrophobicContact CD2-CG1 4.01Å; L516-V528 HydrophobicContact CG-CG1 3.93Å; L516-H529 VanDerWaalsContact CA-O 3.28Å; L516-H529 WeakPolarHBondContact CA-O 3.21Å; L516-T530 HydrophobicContact CD1-CG2 4.15Å; L516-T530 HydrophobicContact CG-CG2 4.38Å; L516-I551 HydrophobicContact CD2-CG2 3.68Å
517	R	92.8	Very high	88.9	Confident	120 Å²	120	57 Å²	57	45%	0.453	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	112.5	-178.1	-168.9	178	65.9	81.3	7.9	110.7	E515 E519 H529	E515-R517 PolarHBondContact O-N 3.39Å; E515-R517 VanDerWaalsContact O-N 3.16Å; R517-E519 IonicContact CZ-OE2 3.58Å; R517-E519 IonicContact NH1-OE2 2.75Å; R517-E519 PolarHBondContact NH1-OE2 3.46Å; R517-E519 IonicContact NH2-OE2 2.7Å; R517-E519 PolarHBondContact NH2-OE2 3.27Å; R517-H529 HydrophobicContact CB-CB 4.45Å; R517-H529 PolarHBondContact N-O 3.27Å; R517-H529 PolarHBondContact NH2-CD2 2.89Å; R517-H529 VanDerWaalsContact NH2-CD2 3.32Å; R517-H529 PolarHBondContact NH2-NE2 3.28Å; R517-H529 WeakPolarHBondContact O-CB 3.36Å; R517-H529 PolarHBondContact O-CD2 3.44Å; R517-H529 PolarHBondContact O-N 2.98Å
518	P	94.8	Very high	89	Confident	15 Å²	15	53 Å²	53	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	144.7	167.1	33	-31.2	0	0	0	110.3	F527 C548 I551 Q552	P518-F527 CarbonylContact C-O 3.51Å; P518-F527 WeakPolarHBondContact CA-O 3.39Å; P518-C548 HydrophobicContact CB-CB 4.04Å; P518-C548 WeakPolarHBondContact CG-O 3.39Å; P518-I551 HydrophobicContact CB-CB 4.28Å; P518-I551 HydrophobicContact CB-CG2 4.11Å; P518-I551 HydrophobicContact CG-CB 4.23Å; P518-I551 HydrophobicContact CG-CG2 4Å; P518-Q552 HydrophobicContact CG-CB 3.91Å
519	E	92.9	Very high	89	Confident	57 Å²	57	53.5 Å²	53.5	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	115.7	176.8	-169.2	-178.8	153.1	0	0	111.2	R517 K521 F526 F527 H529 C548	R517-E519 IonicContact CZ-OE2 3.58Å; R517-E519 IonicContact NH1-OE2 2.75Å; R517-E519 PolarHBondContact NH1-OE2 3.46Å; R517-E519 IonicContact NH2-OE2 2.7Å; R517-E519 PolarHBondContact NH2-OE2 3.27Å; E519-K521 HydrophobicContact CG-CD 4.44Å; E519-K521 WeakPolarHBondContact OE1-CE 3.25Å; E519-K521 IonicContact OE1-NZ 2.72Å; E519-K521 PolarHBondContact OE1-NZ 2.76Å; E519-K521 IonicContact OE2-NZ 3.43Å; E519-F526 CarbonylContact O-C 3.57Å; E519-F526 WeakPolarHBondContact O-CA 3.03Å; E519-F527 PolarHBondContact N-O 3.15Å; E519-F527 PolarHBondContact O-N 2.94Å; E519-H529 IonicContact OE2-NE2 3.14Å; E519-C548 VanDerWaalsContact C-SG 3.51Å
520	A	89.4	Confident	88.9	Confident	42 Å²	42	51.4 Å²	51.4	35%	0.347	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130	171.5	0	0	0	0	0	109.5	C548	A520-C548 HydrophobicContact CB-CB 4.5Å; A520-C548 PolarHBondContact N-SG 3.2Å
521	K	82.9	Confident	88.7	Confident	97 Å²	97	54.6 Å²	54.6	42%	0.422	28%	0.28	S	S	.	.	S	Bend	trans	-103.8	-26.4	178.2	-63.3	-61.4	-170	175.6	0	112.6	E519 T525 F527	E519-K521 HydrophobicContact CG-CD 4.44Å; E519-K521 WeakPolarHBondContact OE1-CE 3.25Å; E519-K521 IonicContact OE1-NZ 2.72Å; E519-K521 PolarHBondContact OE1-NZ 2.76Å; E519-K521 IonicContact OE2-NZ 3.43Å; K521-T525 HydrophobicContact CB-CG2 4.29Å; K521-T525 PolarHBondContact N-O 3.1Å; K521-F527 HydrophobicContact CD-CD2 4.4Å; K521-F527 HydrophobicContact CD-CE2 4.23Å; K521-F527 HydrophobicContact CG-CD1 4.17Å; K521-F527 HydrophobicContact CG-CD2 4.12Å; K521-F527 HydrophobicContact CG-CE1 3.96Å; K521-F527 HydrophobicContact CG-CE2 3.95Å; K521-F527 HydrophobicContact CG-CG 4.22Å; K521-F527 HydrophobicContact CG-CZ 3.84Å
522	N	80.8	Confident	88.5	Confident	76 Å²	76	59.3 Å²	59.3	41%	0.406	30%	0.302	S	S	.	.	S	Bend	trans	-165.3	179.5	166.9	54.6	64.9	0	0	0	107.8	K524 T525	N522-K524 PolarHBondContact O-N 3.3Å; N522-K524 VanDerWaalsContact O-N 3.16Å; N522-K524 PolarHBondContact OD1-N 3.08Å; N522-T525 PolarHBondContact N-O 3.13Å; N522-T525 WeakPolarHBondContact ND2-CB 3.41Å; N522-T525 PolarHBondContact ND2-OG1 3.08Å; N522-T525 VanDerWaalsContact ND2-OG1 3.14Å; N522-T525 PolarHBondContact O-N 3.06Å; N522-T525 VanDerWaalsContact O-N 3.17Å; N522-T525 WeakPolarHBondContact OD1-CB 3.41Å; N522-T525 PolarHBondContact OD1-N 3.23Å; N522-T525 PolarHBondContact OD1-OG1 3.13Å
523	F	75.8	Confident	88.4	Confident	138 Å²	138	63.5 Å²	63.5	61%	0.605	32%	0.318	S	S	*	.	S	Bend	trans	-53.6	-33.9	-179.3	64.2	-78.1	0	0	0	114.4	G542 N543 A544	F523-G542 CarbonylContact O-C 3.59Å; F523-G542 VanDerWaalsContact O-CA 3.25Å; F523-G542 WeakPolarHBondContact O-CA 3.46Å; F523-N543 PolarHBondContact O-N 3.45Å; F523-A544 WeakPolarHBondContact O-CB 3.14Å; F523-A544 PolarHBondContact O-N 3.24Å
524	K	82	Confident	88.4	Confident	80 Å²	80	64.3 Å²	64.3	35%	0.348	32%	0.322	S	S	.	.	S	Bend	trans	-91.1	-31.5	174.4	-63.1	-156	180	-156.2	0	114.2	N522 M538 D539 P540	N522-K524 PolarHBondContact O-N 3.3Å; N522-K524 VanDerWaalsContact O-N 3.16Å; N522-K524 PolarHBondContact OD1-N 3.08Å; K524-M538 HydrophobicContact CB-CG 3.8Å; K524-M538 HydrophobicContact CB-SD 4.35Å; K524-M538 CarbonylContact O-C 3.56Å; K524-M538 WeakPolarHBondContact O-CA 3.49Å; K524-M538 WeakPolarHBondContact O-CG 3.42Å; K524-D539 WeakPolarHBondContact CA-O 3.26Å; K524-D539 WeakPolarHBondContact CB-O 3.48Å; K524-D539 WeakPolarHBondContact CG-O 3.41Å; K524-D539 PolarHBondContact O-N 3.44Å; K524-P540 VanDerWaalsContact CE-O 3.29Å; K524-P540 WeakPolarHBondContact CE-O 3.49Å; K524-P540 PolarHBondContact NZ-O 2.94Å
525	T	86.5	Confident	88.6	Confident	25 Å²	25	61.2 Å²	61.2	15%	0.153	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.7	-164.9	-48	0	0	0	0	111.9	K521 N522 F527	K521-T525 HydrophobicContact CB-CG2 4.29Å; K521-T525 PolarHBondContact N-O 3.1Å; N522-T525 PolarHBondContact N-O 3.13Å; N522-T525 WeakPolarHBondContact ND2-CB 3.41Å; N522-T525 PolarHBondContact ND2-OG1 3.08Å; N522-T525 VanDerWaalsContact ND2-OG1 3.14Å; N522-T525 PolarHBondContact O-N 3.06Å; N522-T525 VanDerWaalsContact O-N 3.17Å; N522-T525 WeakPolarHBondContact OD1-CB 3.41Å; N522-T525 PolarHBondContact OD1-N 3.23Å; N522-T525 PolarHBondContact OD1-OG1 3.13Å; T525-F527 HydrophobicContact CG2-CD1 4.31Å; T525-F527 HydrophobicContact CG2-CE1 3.71Å
526	F	94.1	Very high	88.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146	170.3	64.9	-70.1	0	0	0	112.5	V475 L488 E519 V528 L537 D539 A544 W547 C548 I551	V475-F526 HydrophobicContact CG1-CE1 4.38Å; V475-F526 HydrophobicContact CG1-CZ 4.36Å; L488-F526 HydrophobicContact CD2-CE2 4.35Å; L488-F526 HydrophobicContact CD2-CZ 3.86Å; E519-F526 CarbonylContact O-C 3.57Å; E519-F526 WeakPolarHBondContact O-CA 3.03Å; F526-V528 HydrophobicContact CD2-CG2 4.21Å; F526-V528 HydrophobicContact CE2-CG2 4.26Å; F526-L537 HydrophobicContact CD1-CB 4.05Å; F526-L537 HydrophobicContact CD2-CB 4.29Å; F526-L537 HydrophobicContact CD2-CD1 4.16Å; F526-L537 HydrophobicContact CE1-CB 3.73Å; F526-L537 HydrophobicContact CE2-CB 3.99Å; F526-L537 HydrophobicContact CE2-CD1 3.43Å; F526-L537 VanDerWaalsContact CE2-CD1 3.43Å; F526-L537 HydrophobicContact CE2-CG 4.34Å; F526-L537 HydrophobicContact CG-CB 4.33Å; F526-L537 HydrophobicContact CZ-CB 3.71Å; F526-L537 HydrophobicContact CZ-CD1 3.67Å; F526-L537 HydrophobicContact CZ-CG 4.33Å; F526-L537 PolarHBondContact N-O 3.16Å; F526-L537 CarbonylContact O-C 3.56Å; F526-L537 WeakPolarHBondContact O-CA 3.41Å; F526-L537 WeakPolarHBondContact O-CB 3.29Å; F526-L537 PolarHBondContact O-N 3.31Å; F526-D539 HydrophobicContact CE1-CB 4.31Å; F526-A544 HydrophobicContact CB-CB 4.03Å; F526-A544 HydrophobicContact CD1-CB 3.69Å; F526-A544 HydrophobicContact CG-CB 4.23Å; F526-W547 HydrophobicContact CD1-CB 4.41Å; F526-W547 HydrophobicContact CD2-CB 4.1Å; F526-W547 HydrophobicContact CE1-CB 4.01Å; F526-W547 AromaticContact CE1-CD1 3.94Å; F526-W547 AromaticContact CE1-CG 3.99Å; F526-W547 HydrophobicContact CE1-CG 3.99Å; F526-W547 HydrophobicContact CE2-CB 3.66Å; F526-W547 HydrophobicContact CE2-CG 4.15Å; F526-W547 HydrophobicContact CG-CB 4.45Å; F526-W547 HydrophobicContact CZ-CB 3.61Å; F526-W547 AromaticContact CZ-CD1 3.98Å; F526-W547 HydrophobicContact CZ-CD2 4.11Å; F526-W547 AromaticContact CZ-CG 3.62Å; F526-W547 HydrophobicContact CZ-CG 3.62Å; F526-C548 WeakPolarHBondContact CB-SG 3.41Å; F526-I551 HydrophobicContact CE2-CD1 4.13Å
527	F	94.9	Very high	88.7	Confident	42 Å²	42	59.8 Å²	59.8	18%	0.184	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	173.6	-58.6	-7.4	0	0	0	109	P518 E519 K521 T525 H529 T534 Y535 Y536	P518-F527 CarbonylContact C-O 3.51Å; P518-F527 WeakPolarHBondContact CA-O 3.39Å; E519-F527 PolarHBondContact N-O 3.15Å; E519-F527 PolarHBondContact O-N 2.94Å; K521-F527 HydrophobicContact CD-CD2 4.4Å; K521-F527 HydrophobicContact CD-CE2 4.23Å; K521-F527 HydrophobicContact CG-CD1 4.17Å; K521-F527 HydrophobicContact CG-CD2 4.12Å; K521-F527 HydrophobicContact CG-CE1 3.96Å; K521-F527 HydrophobicContact CG-CE2 3.95Å; K521-F527 HydrophobicContact CG-CG 4.22Å; K521-F527 HydrophobicContact CG-CZ 3.84Å; T525-F527 HydrophobicContact CG2-CD1 4.31Å; T525-F527 HydrophobicContact CG2-CE1 3.71Å; F527-H529 AromaticContact CD2-CE1 4Å; F527-T534 HydrophobicContact CB-CG2 3.98Å; F527-T534 HydrophobicContact CD2-CG2 4.14Å; F527-T534 HydrophobicContact CG-CG2 4.2Å; F527-Y535 CarbonylContact C-O 3.5Å; F527-Y535 VanDerWaalsContact CA-O 3.31Å; F527-Y535 WeakPolarHBondContact CA-O 3.3Å; F527-Y536 AromaticContact CD1-CD1 3.72Å; F527-Y536 HydrophobicContact CD1-CD1 3.72Å; F527-Y536 HydrophobicContact CD1-CG 4.39Å; F527-Y536 HydrophobicContact CD2-CD1 4.12Å; F527-Y536 HydrophobicContact CD2-CE1 4.12Å; F527-Y536 AromaticContact CE1-CD1 3.52Å; F527-Y536 HydrophobicContact CE1-CD1 3.52Å; F527-Y536 HydrophobicContact CE1-CE1 4.3Å; F527-Y536 HydrophobicContact CE1-CG 4.42Å; F527-Y536 AromaticContact CE2-CD1 3.88Å; F527-Y536 HydrophobicContact CE2-CD1 3.88Å; F527-Y536 AromaticContact CE2-CE1 3.82Å; F527-Y536 HydrophobicContact CE2-CE1 3.82Å; F527-Y536 HydrophobicContact CG-CD1 4.07Å; F527-Y536 HydrophobicContact CG-CE1 4.49Å; F527-Y536 AromaticContact CZ-CD1 3.6Å; F527-Y536 HydrophobicContact CZ-CD1 3.6Å; F527-Y536 AromaticContact CZ-CE1 3.94Å; F527-Y536 HydrophobicContact CZ-CE1 3.94Å
528	V	94.6	Very high	88.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.3	164.3	-175.7	0	0	0	0	107.2	L496 I510 L516 F526 Y535 L537 I551	L496-V528 HydrophobicContact CD2-CG2 4.4Å; I510-V528 HydrophobicContact CD1-CB 4.4Å; I510-V528 HydrophobicContact CG2-CB 4.39Å; I510-V528 HydrophobicContact CG2-CG1 3.88Å; L516-V528 HydrophobicContact CD1-CG1 4.09Å; L516-V528 HydrophobicContact CD2-CG1 4.01Å; L516-V528 HydrophobicContact CG-CG1 3.93Å; F526-V528 HydrophobicContact CD2-CG2 4.21Å; F526-V528 HydrophobicContact CE2-CG2 4.26Å; V528-Y535 PolarHBondContact N-O 3.46Å; V528-Y535 WeakPolarHBondContact O-CB 3.43Å; V528-Y535 PolarHBondContact O-N 3.1Å; V528-L537 HydrophobicContact CG2-CD1 4.12Å; V528-I551 HydrophobicContact CG2-CD1 3.94Å
529	H	92	Very high	88.2	Confident	39 Å²	39	57.6 Å²	57.6	18%	0.181	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.9	177.6	-59.5	-80.8	0	0	0	109.5	L516 R517 E519 F527 T534	L516-H529 VanDerWaalsContact CA-O 3.28Å; L516-H529 WeakPolarHBondContact CA-O 3.21Å; R517-H529 HydrophobicContact CB-CB 4.45Å; R517-H529 PolarHBondContact N-O 3.27Å; R517-H529 PolarHBondContact NH2-CD2 2.89Å; R517-H529 VanDerWaalsContact NH2-CD2 3.32Å; R517-H529 PolarHBondContact NH2-NE2 3.28Å; R517-H529 WeakPolarHBondContact O-CB 3.36Å; R517-H529 PolarHBondContact O-CD2 3.44Å; R517-H529 PolarHBondContact O-N 2.98Å; E519-H529 IonicContact OE2-NE2 3.14Å; F527-H529 AromaticContact CD2-CE1 4Å; H529-T534 WeakPolarHBondContact ND1-CG2 3.49Å; H529-T534 PolarHBondContact ND1-OG1 3.4Å
530	T	91.1	Very high	87.5	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	160.3	166.5	81.5	0	0	0	0	108.1	I510 P511 L516 N532 R533 Y535	I510-T530 HydrophobicContact CG2-CG2 3.86Å; P511-T530 WeakPolarHBondContact O-CG2 3.19Å; L516-T530 HydrophobicContact CD1-CG2 4.15Å; L516-T530 HydrophobicContact CG-CG2 4.38Å; T530-N532 PolarHBondContact O-N 3.38Å; T530-R533 PolarHBondContact N-O 3.44Å; T530-R533 CarbonylContact O-C 3.59Å; T530-R533 PolarHBondContact O-N 2.95Å; T530-R533 VanDerWaalsContact O-O 3.11Å; T530-R533 PolarHBondContact OG1-O 3.32Å; T530-Y535 HydrophobicContact CG2-CD2 4.45Å; T530-Y535 HydrophobicContact CG2-CE2 4.34Å
531	P	87.4	Confident	87.1	Confident	68 Å²	68	58.6 Å²	58.6	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.6	-170.3	-30.7	33.1	0	0	0	114.6	S513 E515	S513-P531 VanDerWaalsContact OG-CD 3.28Å; S513-P531 WeakPolarHBondContact OG-CD 3.39Å; E515-P531 HydrophobicContact CB-CG 3.95Å; E515-P531 HydrophobicContact CG-CG 4.49Å
532	N	84.6	Confident	87	Confident	164 Å²	164	55 Å²	55	88%	0.877	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.4	-176.1	-63.3	-44.9	0	0	0	113.7	T530	T530-N532 PolarHBondContact O-N 3.38Å
533	R	87.3	Confident	87.3	Confident	117 Å²	117	53.8 Å²	53.8	44%	0.442	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	134.2	-169.8	-170.3	168.2	-175.6	178.6	11.4	114.7	T530 Y535	T530-R533 PolarHBondContact N-O 3.44Å; T530-R533 CarbonylContact O-C 3.59Å; T530-R533 PolarHBondContact O-N 2.95Å; T530-R533 VanDerWaalsContact O-O 3.11Å; T530-R533 PolarHBondContact OG1-O 3.32Å; R533-Y535 HydrophobicContact CB-CD2 4.18Å; R533-Y535 HydrophobicContact CB-CE2 3.77Å; R533-Y535 HydrophobicContact CG-CD2 3.81Å; R533-Y535 HydrophobicContact CG-CE2 3.62Å
534	T	88.3	Confident	87.8	Confident	40 Å²	40	47.2 Å²	47.2	25%	0.245	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.5	159.9	-60.5	0	0	0	0	110.6	F527 H529 Y536	F527-T534 HydrophobicContact CB-CG2 3.98Å; F527-T534 HydrophobicContact CD2-CG2 4.14Å; F527-T534 HydrophobicContact CG-CG2 4.2Å; H529-T534 WeakPolarHBondContact ND1-CG2 3.49Å; H529-T534 PolarHBondContact ND1-OG1 3.4Å; T534-Y536 HydrophobicContact CG2-CD1 4.23Å; T534-Y536 HydrophobicContact CG2-CD2 4.39Å; T534-Y536 HydrophobicContact CG2-CE1 3.8Å; T534-Y536 HydrophobicContact CG2-CE2 3.97Å; T534-Y536 HydrophobicContact CG2-CG 4.49Å; T534-Y536 WeakPolarHBondContact O-CE2 3.29Å
535	Y	89.6	Confident	88.1	Confident	17 Å²	17	46.9 Å²	46.9	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.7	175	-72.8	-111.6	0	0	0	109.2	Y498 E509 I510 P511 F527 V528 T530 R533	Y498-Y535 HydrophobicContact CE1-CE1 4.11Å; E509-Y535 PolarHBondContact O-OH 3.49Å; I510-Y535 HydrophobicContact CB-CD1 4.3Å; I510-Y535 HydrophobicContact CB-CE1 4.15Å; I510-Y535 HydrophobicContact CD1-CD1 3.56Å; I510-Y535 HydrophobicContact CD1-CE1 4.21Å; I510-Y535 HydrophobicContact CD1-CG 3.8Å; I510-Y535 HydrophobicContact CG1-CD1 3.51Å; I510-Y535 HydrophobicContact CG1-CE1 3.61Å; I510-Y535 HydrophobicContact CG1-CG 4.05Å; I510-Y535 HydrophobicContact CG2-CD1 4.2Å; I510-Y535 HydrophobicContact CG2-CD2 3.77Å; I510-Y535 HydrophobicContact CG2-CE1 4.24Å; I510-Y535 HydrophobicContact CG2-CE2 3.81Å; I510-Y535 HydrophobicContact CG2-CG 3.98Å; P511-Y535 WeakPolarHBondContact CD-OH 3.28Å; F527-Y535 CarbonylContact C-O 3.5Å; F527-Y535 VanDerWaalsContact CA-O 3.31Å; F527-Y535 WeakPolarHBondContact CA-O 3.3Å; V528-Y535 PolarHBondContact N-O 3.46Å; V528-Y535 WeakPolarHBondContact O-CB 3.43Å; V528-Y535 PolarHBondContact O-N 3.1Å; T530-Y535 HydrophobicContact CG2-CD2 4.45Å; T530-Y535 HydrophobicContact CG2-CE2 4.34Å; R533-Y535 HydrophobicContact CB-CD2 4.18Å; R533-Y535 HydrophobicContact CB-CE2 3.77Å; R533-Y535 HydrophobicContact CG-CD2 3.81Å; R533-Y535 HydrophobicContact CG-CE2 3.62Å
536	Y	89.8	Confident	88.2	Confident	101 Å²	101	52 Å²	52	40%	0.396	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119	-179.3	-50	-96.8	0	0	0	109.5	R478 F527 T534	R478-Y536 PolarHBondContact N-O 3.25Å; F527-Y536 AromaticContact CD1-CD1 3.72Å; F527-Y536 HydrophobicContact CD1-CD1 3.72Å; F527-Y536 HydrophobicContact CD1-CG 4.39Å; F527-Y536 HydrophobicContact CD2-CD1 4.12Å; F527-Y536 HydrophobicContact CD2-CE1 4.12Å; F527-Y536 AromaticContact CE1-CD1 3.52Å; F527-Y536 HydrophobicContact CE1-CD1 3.52Å; F527-Y536 HydrophobicContact CE1-CE1 4.3Å; F527-Y536 HydrophobicContact CE1-CG 4.42Å; F527-Y536 AromaticContact CE2-CD1 3.88Å; F527-Y536 HydrophobicContact CE2-CD1 3.88Å; F527-Y536 AromaticContact CE2-CE1 3.82Å; F527-Y536 HydrophobicContact CE2-CE1 3.82Å; F527-Y536 HydrophobicContact CG-CD1 4.07Å; F527-Y536 HydrophobicContact CG-CE1 4.49Å; F527-Y536 AromaticContact CZ-CD1 3.6Å; F527-Y536 HydrophobicContact CZ-CD1 3.6Å; F527-Y536 AromaticContact CZ-CE1 3.94Å; F527-Y536 HydrophobicContact CZ-CE1 3.94Å; T534-Y536 HydrophobicContact CG2-CD1 4.23Å; T534-Y536 HydrophobicContact CG2-CD2 4.39Å; T534-Y536 HydrophobicContact CG2-CE1 3.8Å; T534-Y536 HydrophobicContact CG2-CE2 3.97Å; T534-Y536 HydrophobicContact CG2-CG 4.49Å; T534-Y536 WeakPolarHBondContact O-CE2 3.29Å
537	L	90.4	Very high	88.2	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.9	-175.1	-60	170.6	0	0	0	110.5	V475 K477 L488 I510 F526 V528	V475-L537 HydrophobicContact CG2-CD2 4.1Å; K477-L537 HydrophobicContact CB-CD2 3.82Å; K477-L537 HydrophobicContact CD-CD2 3.88Å; K477-L537 HydrophobicContact CG-CD2 3.64Å; L488-L537 HydrophobicContact CD2-CD1 4.17Å; I510-L537 HydrophobicContact CD1-CD1 4Å; F526-L537 HydrophobicContact CD1-CB 4.05Å; F526-L537 HydrophobicContact CD2-CB 4.29Å; F526-L537 HydrophobicContact CD2-CD1 4.16Å; F526-L537 HydrophobicContact CE1-CB 3.73Å; F526-L537 HydrophobicContact CE2-CB 3.99Å; F526-L537 HydrophobicContact CE2-CD1 3.43Å; F526-L537 VanDerWaalsContact CE2-CD1 3.43Å; F526-L537 HydrophobicContact CE2-CG 4.34Å; F526-L537 HydrophobicContact CG-CB 4.33Å; F526-L537 HydrophobicContact CZ-CB 3.71Å; F526-L537 HydrophobicContact CZ-CD1 3.67Å; F526-L537 HydrophobicContact CZ-CG 4.33Å; F526-L537 PolarHBondContact N-O 3.16Å; F526-L537 CarbonylContact O-C 3.56Å; F526-L537 WeakPolarHBondContact O-CA 3.41Å; F526-L537 WeakPolarHBondContact O-CB 3.29Å; F526-L537 PolarHBondContact O-N 3.31Å; V528-L537 HydrophobicContact CG2-CD1 4.12Å
538	M	89.3	Confident	88.1	Confident	78 Å²	78	50.7 Å²	50.7	38%	0.384	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.3	173.1	-170.1	-177.5	-64.2	0	0	110.3	V475 D476 K524	V475-M538 CarbonylContact C-O 3.59Å; V475-M538 WeakPolarHBondContact CA-O 3.45Å; V475-M538 WeakPolarHBondContact CB-O 3.23Å; D476-M538 HydrophobicContact CB-CB 4.33Å; D476-M538 PolarHBondContact N-O 3.44Å; D476-M538 PolarHBondContact O-N 2.98Å; K524-M538 HydrophobicContact CB-CG 3.8Å; K524-M538 HydrophobicContact CB-SD 4.35Å; K524-M538 CarbonylContact O-C 3.56Å; K524-M538 WeakPolarHBondContact O-CA 3.49Å; K524-M538 WeakPolarHBondContact O-CG 3.42Å
539	D	88.6	Confident	87.9	Confident	11 Å²	11	56.5 Å²	56.5	6%	0.059	29%	0.287	C	S	.	.			trans	-82.2	116.5	167.2	-176.2	-58.8	0	0	0	108.2	K524 F526 S541 G542 N543 A544 W547	K524-D539 WeakPolarHBondContact CA-O 3.26Å; K524-D539 WeakPolarHBondContact CB-O 3.48Å; K524-D539 WeakPolarHBondContact CG-O 3.41Å; K524-D539 PolarHBondContact O-N 3.44Å; F526-D539 HydrophobicContact CE1-CB 4.31Å; D539-S541 PolarHBondContact O-N 3.16Å; D539-S541 VanDerWaalsContact OD1-C 3.29Å; D539-S541 VanDerWaalsContact OD1-CA 3.3Å; D539-S541 WeakPolarHBondContact OD1-CA 3.13Å; D539-S541 WeakPolarHBondContact OD1-CB 3.35Å; D539-S541 PolarHBondContact OD1-N 3.09Å; D539-G542 PolarHBondContact O-N 3.43Å; D539-G542 PolarHBondContact OD1-N 3.48Å; D539-N543 PolarHBondContact OD1-N 2.89Å; D539-N543 VanDerWaalsContact OD1-N 3.13Å; D539-A544 HydrophobicContact CB-CB 4.41Å; D539-W547 PolarHBondContact OD2-NE1 3.04Å
540	P	78.4	Confident	87.8	Confident	29 Å²	29	54.9 Å²	54.9	19%	0.188	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.8	-176.7	30.6	-36.8	0	0	0	112.1	P474 K524	P474-P540 HydrophobicContact CG-CG 4.38Å; P474-P540 WeakPolarHBondContact O-CD 3.3Å; K524-P540 VanDerWaalsContact CE-O 3.29Å; K524-P540 WeakPolarHBondContact CE-O 3.49Å; K524-P540 PolarHBondContact NZ-O 2.94Å
541	S	81.1	Confident	87.9	Confident	90 Å²	90	54.2 Å²	54.2	63%	0.629	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.5	-175.5	-52.5	0	0	0	0	113	D539 N543	D539-S541 PolarHBondContact O-N 3.16Å; D539-S541 VanDerWaalsContact OD1-C 3.29Å; D539-S541 VanDerWaalsContact OD1-CA 3.3Å; D539-S541 WeakPolarHBondContact OD1-CA 3.13Å; D539-S541 WeakPolarHBondContact OD1-CB 3.35Å; D539-S541 PolarHBondContact OD1-N 3.09Å; S541-N543 PolarHBondContact O-ND2 2.81Å
542	G	80.3	Confident	88.1	Confident	21 Å²	21	53.4 Å²	53.4	22%	0.216	27%	0.265	C	S	.	.	S	Bend	trans	82.1	21.9	173.9	0	0	0	0	0	115.5	F523 D539	F523-G542 CarbonylContact O-C 3.59Å; F523-G542 VanDerWaalsContact O-CA 3.25Å; F523-G542 WeakPolarHBondContact O-CA 3.46Å; D539-G542 PolarHBondContact O-N 3.43Å; D539-G542 PolarHBondContact OD1-N 3.48Å
543	N	86.8	Confident	88.3	Confident	52 Å²	52	48.7 Å²	48.7	28%	0.278	24%	0.238	S	C	.	.			trans	-105.2	28	-178.5	-66.4	-78.3	0	0	0	114.3	F523 D539 S541 D545 R546 W547	F523-N543 PolarHBondContact O-N 3.45Å; D539-N543 PolarHBondContact OD1-N 2.89Å; D539-N543 VanDerWaalsContact OD1-N 3.13Å; S541-N543 PolarHBondContact O-ND2 2.81Å; N543-D545 VanDerWaalsContact C-N 3.27Å; N543-D545 PolarHBondContact O-N 3.48Å; N543-R546 HydrophobicContact CB-CB 4.36Å; N543-R546 HydrophobicContact CB-CG 4.14Å; N543-R546 WeakPolarHBondContact O-CB 3.44Å; N543-R546 PolarHBondContact O-N 3.42Å; N543-R546 PolarHBondContact OD1-NE 3.03Å; N543-W547 PolarHBondContact O-N 3.44Å
544	A	87.6	Confident	88.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-35.4	-177.6	0	0	0	0	0	114	F523 F526 D539 W547 C548	F523-A544 WeakPolarHBondContact O-CB 3.14Å; F523-A544 PolarHBondContact O-N 3.24Å; F526-A544 HydrophobicContact CB-CB 4.03Å; F526-A544 HydrophobicContact CD1-CB 3.69Å; F526-A544 HydrophobicContact CG-CB 4.23Å; D539-A544 HydrophobicContact CB-CB 4.41Å; A544-W547 PolarHBondContact O-N 3.06Å; A544-C548 PolarHBondContact O-N 3.28Å; A544-C548 PolarHBondContact O-SG 3.16Å; A544-C548 VanDerWaalsContact O-SG 3.4Å
545	D	87.8	Confident	88.4	Confident	72 Å²	72	42.8 Å²	42.8	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-37.8	173.1	164.5	75.3	0	0	0	112.5	N543 C548 K549	N543-D545 VanDerWaalsContact C-N 3.27Å; N543-D545 PolarHBondContact O-N 3.48Å; D545-C548 PolarHBondContact O-N 2.99Å; D545-K549 VanDerWaalsContact CG-NZ 3.29Å; D545-K549 WeakPolarHBondContact O-CB 3.28Å; D545-K549 WeakPolarHBondContact O-CG 3.32Å; D545-K549 PolarHBondContact O-N 2.99Å; D545-K549 WeakPolarHBondContact OD1-CE 3.4Å; D545-K549 IonicContact OD1-NZ 3.37Å; D545-K549 PolarHBondContact OD1-NZ 2.95Å; D545-K549 VanDerWaalsContact OD1-NZ 3.14Å; D545-K549 VanDerWaalsContact OD2-CE 3.31Å; D545-K549 WeakPolarHBondContact OD2-CE 3.48Å; D545-K549 IonicContact OD2-NZ 2.71Å; D545-K549 PolarHBondContact OD2-NZ 3.28Å
546	R	89	Confident	88.2	Confident	134 Å²	134	47.2 Å²	47.2	51%	0.506	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-44.6	174.6	-55.4	-165.8	-165	-151.8	2.9	110.9	N543 C548 K549 K550	N543-R546 HydrophobicContact CB-CB 4.36Å; N543-R546 HydrophobicContact CB-CG 4.14Å; N543-R546 WeakPolarHBondContact O-CB 3.44Å; N543-R546 PolarHBondContact O-N 3.42Å; N543-R546 PolarHBondContact OD1-NE 3.03Å; R546-C548 VanDerWaalsContact C-N 3.35Å; R546-C548 PolarHBondContact O-N 3.18Å; R546-K549 PolarHBondContact O-N 2.74Å; R546-K550 WeakPolarHBondContact O-CB 3.33Å; R546-K550 PolarHBondContact O-N 2.89Å
547	W	93.1	Very high	87.9	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-46.6	173	-78.3	105.7	0	0	0	112.1	K471 V475 L488 L490 F526 D539 N543 A544 K550 I551	K471-W547 HydrophobicContact CB-CH2 4.31Å; K471-W547 HydrophobicContact CB-CZ3 4.06Å; K471-W547 HydrophobicContact CD-CD2 3.92Å; K471-W547 HydrophobicContact CD-CE3 3.76Å; K471-W547 HydrophobicContact CD-CH2 4.15Å; K471-W547 HydrophobicContact CD-CZ2 4.29Å; K471-W547 HydrophobicContact CD-CZ3 3.88Å; K471-W547 HydrophobicContact CG-CE3 4.28Å; K471-W547 HydrophobicContact CG-CH2 3.83Å; K471-W547 HydrophobicContact CG-CZ2 4.2Å; K471-W547 HydrophobicContact CG-CZ3 3.86Å; V475-W547 HydrophobicContact CG1-CZ2 4.49Å; L488-W547 HydrophobicContact CB-CH2 3.89Å; L488-W547 HydrophobicContact CB-CZ2 4.25Å; L488-W547 HydrophobicContact CB-CZ3 4.39Å; L488-W547 HydrophobicContact CD2-CD2 4.02Å; L488-W547 HydrophobicContact CD2-CE3 3.7Å; L488-W547 HydrophobicContact CD2-CH2 3.86Å; L488-W547 HydrophobicContact CD2-CZ2 4.17Å; L488-W547 HydrophobicContact CD2-CZ3 3.62Å; L488-W547 HydrophobicContact CG-CH2 3.97Å; L488-W547 HydrophobicContact CG-CZ3 3.93Å; L490-W547 HydrophobicContact CB-CZ3 4.15Å; F526-W547 HydrophobicContact CD1-CB 4.41Å; F526-W547 HydrophobicContact CD2-CB 4.1Å; F526-W547 HydrophobicContact CE1-CB 4.01Å; F526-W547 AromaticContact CE1-CD1 3.94Å; F526-W547 AromaticContact CE1-CG 3.99Å; F526-W547 HydrophobicContact CE1-CG 3.99Å; F526-W547 HydrophobicContact CE2-CB 3.66Å; F526-W547 HydrophobicContact CE2-CG 4.15Å; F526-W547 HydrophobicContact CG-CB 4.45Å; F526-W547 HydrophobicContact CZ-CB 3.61Å; F526-W547 AromaticContact CZ-CD1 3.98Å; F526-W547 HydrophobicContact CZ-CD2 4.11Å; F526-W547 AromaticContact CZ-CG 3.62Å; F526-W547 HydrophobicContact CZ-CG 3.62Å; D539-W547 PolarHBondContact OD2-NE1 3.04Å; N543-W547 PolarHBondContact O-N 3.44Å; A544-W547 PolarHBondContact O-N 3.06Å; W547-K550 PolarHBondContact O-N 3.01Å; W547-I551 WeakPolarHBondContact O-CB 3.41Å; W547-I551 WeakPolarHBondContact O-CD1 3.25Å; W547-I551 WeakPolarHBondContact O-CG1 3.42Å; W547-I551 PolarHBondContact O-N 3.07Å
548	C	93.3	Very high	87.5	Confident	11 Å²	11	49.6 Å²	49.6	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-46.5	177.1	-70.1	0	0	0	0	112.7	P518 E519 A520 F526 A544 D545 R546 K550 Q552	P518-C548 HydrophobicContact CB-CB 4.04Å; P518-C548 WeakPolarHBondContact CG-O 3.39Å; E519-C548 VanDerWaalsContact C-SG 3.51Å; A520-C548 HydrophobicContact CB-CB 4.5Å; A520-C548 PolarHBondContact N-SG 3.2Å; F526-C548 WeakPolarHBondContact CB-SG 3.41Å; A544-C548 PolarHBondContact O-N 3.28Å; A544-C548 PolarHBondContact O-SG 3.16Å; A544-C548 VanDerWaalsContact O-SG 3.4Å; D545-C548 PolarHBondContact O-N 2.99Å; R546-C548 VanDerWaalsContact C-N 3.35Å; R546-C548 PolarHBondContact O-N 3.18Å; C548-K550 PolarHBondContact O-N 2.92Å; C548-Q552 VanDerWaalsContact O-CB 3.24Å; C548-Q552 WeakPolarHBondContact O-CB 3.49Å; C548-Q552 PolarHBondContact O-N 3.13Å
549	K	90.7	Very high	87.1	Confident	122 Å²	122	49 Å²	49	53%	0.53	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-45.9	176.8	-77.3	168.3	176.1	162.5	0	111.4	D545 R546 Q552 E553	D545-K549 VanDerWaalsContact CG-NZ 3.29Å; D545-K549 WeakPolarHBondContact O-CB 3.28Å; D545-K549 WeakPolarHBondContact O-CG 3.32Å; D545-K549 PolarHBondContact O-N 2.99Å; D545-K549 WeakPolarHBondContact OD1-CE 3.4Å; D545-K549 IonicContact OD1-NZ 3.37Å; D545-K549 PolarHBondContact OD1-NZ 2.95Å; D545-K549 VanDerWaalsContact OD1-NZ 3.14Å; D545-K549 VanDerWaalsContact OD2-CE 3.31Å; D545-K549 WeakPolarHBondContact OD2-CE 3.48Å; D545-K549 IonicContact OD2-NZ 2.71Å; D545-K549 PolarHBondContact OD2-NZ 3.28Å; R546-K549 PolarHBondContact O-N 2.74Å; K549-Q552 CarbonylContact O-C 3.41Å; K549-Q552 PolarHBondContact O-N 3.3Å; K549-E553 WeakPolarHBondContact O-CB 3.37Å; K549-E553 PolarHBondContact O-N 2.22Å
550	K	89.6	Confident	86	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-71.6	-41.7	-176	-154.7	56.7	163.7	-175.9	0	113.4	E437 L438 K471 L490 R546 W547 C548 Q552 E553 V554	E437-K550 HydrophobicContact CG-CD 4.22Å; E437-K550 HydrophobicContact CG-CG 4.29Å; E437-K550 WeakPolarHBondContact OE1-CD 3.37Å; L438-K550 WeakPolarHBondContact O-CE 3.35Å; L438-K550 PolarHBondContact O-NZ 2.9Å; K471-K550 HydrophobicContact CB-CG 4.38Å; K471-K550 HydrophobicContact CD-CB 4.23Å; K471-K550 HydrophobicContact CD-CG 4.3Å; L490-K550 HydrophobicContact CD2-CB 4.05Å; L490-K550 HydrophobicContact CD2-CG 3.79Å; R546-K550 WeakPolarHBondContact O-CB 3.33Å; R546-K550 PolarHBondContact O-N 2.89Å; W547-K550 PolarHBondContact O-N 3.01Å; C548-K550 PolarHBondContact O-N 2.92Å; K550-Q552 VanDerWaalsContact C-N 3.31Å; K550-Q552 PolarHBondContact O-N 3.35Å; K550-E553 WeakPolarHBondContact CD-OE2 3.36Å; K550-E553 WeakPolarHBondContact CE-OE2 3.29Å; K550-E553 IonicContact NZ-OE2 3.7Å; K550-E553 PolarHBondContact NZ-OE2 3.14Å; K550-E553 WeakPolarHBondContact O-CB 3.49Å; K550-E553 PolarHBondContact O-N 3.31Å; K550-V554 PolarHBondContact O-N 3.29Å
551	I	92.7	Very high	85	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-43.9	171.1	-66.8	165.4	0	0	0	109.9	L490 L496 W512 L516 P518 F526 V528 W547 E553 W555	L490-I551 HydrophobicContact CD1-CG1 4.45Å; L490-I551 HydrophobicContact CD2-CG1 4.11Å; L496-I551 HydrophobicContact CD2-CD1 3.74Å; L496-I551 HydrophobicContact CD2-CG1 4.18Å; W512-I551 HydrophobicContact CH2-CG2 4Å; L516-I551 HydrophobicContact CD2-CG2 3.68Å; P518-I551 HydrophobicContact CB-CB 4.28Å; P518-I551 HydrophobicContact CB-CG2 4.11Å; P518-I551 HydrophobicContact CG-CB 4.23Å; P518-I551 HydrophobicContact CG-CG2 4Å; F526-I551 HydrophobicContact CE2-CD1 4.13Å; V528-I551 HydrophobicContact CG2-CD1 3.94Å; W547-I551 WeakPolarHBondContact O-CB 3.41Å; W547-I551 WeakPolarHBondContact O-CD1 3.25Å; W547-I551 WeakPolarHBondContact O-CG1 3.42Å; W547-I551 PolarHBondContact O-N 3.07Å; I551-E553 VanDerWaalsContact C-N 3.33Å; I551-E553 PolarHBondContact O-N 3.45Å; I551-W555 VanDerWaalsContact O-CB 3.26Å; I551-W555 WeakPolarHBondContact O-CB 3.18Å; I551-W555 PolarHBondContact O-N 3.05Å
552	Q	91.3	Very high	83.5	Confident	52 Å²	52	65 Å²	65	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-26.3	177.8	-167.1	60.2	26	0	0	113.2	P518 C548 K549 K550 R556	P518-Q552 HydrophobicContact CG-CB 3.91Å; C548-Q552 VanDerWaalsContact O-CB 3.24Å; C548-Q552 WeakPolarHBondContact O-CB 3.49Å; C548-Q552 PolarHBondContact O-N 3.13Å; K549-Q552 CarbonylContact O-C 3.41Å; K549-Q552 PolarHBondContact O-N 3.3Å; K550-Q552 VanDerWaalsContact C-N 3.31Å; K550-Q552 PolarHBondContact O-N 3.35Å; Q552-R556 VanDerWaalsContact O-CG 3.27Å; Q552-R556 WeakPolarHBondContact O-CG 2.95Å; Q552-R556 PolarHBondContact O-N 2.97Å; Q552-R556 PolarHBondContact O-NE 3.46Å
553	E	88.9	Confident	81.9	Confident	64 Å²	64	70.7 Å²	70.7	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-69.3	-52.2	174.2	-155	-159.8	157.6	0	0	110.8	L440 K549 K550 I551 W555 R556 K557	L440-E553 HydrophobicContact CD1-CB 3.91Å; L440-E553 HydrophobicContact CD1-CG 3.55Å; L440-E553 WeakPolarHBondContact CD1-OE1 3.45Å; L440-E553 HydrophobicContact CG-CG 4.25Å; L440-E553 VanDerWaalsContact CG-OE1 3.24Å; L440-E553 WeakPolarHBondContact CG-OE1 3.37Å; K549-E553 WeakPolarHBondContact O-CB 3.37Å; K549-E553 PolarHBondContact O-N 2.22Å; K550-E553 WeakPolarHBondContact CD-OE2 3.36Å; K550-E553 WeakPolarHBondContact CE-OE2 3.29Å; K550-E553 IonicContact NZ-OE2 3.7Å; K550-E553 PolarHBondContact NZ-OE2 3.14Å; K550-E553 WeakPolarHBondContact O-CB 3.49Å; K550-E553 PolarHBondContact O-N 3.31Å; I551-E553 VanDerWaalsContact C-N 3.33Å; I551-E553 PolarHBondContact O-N 3.45Å; E553-W555 VanDerWaalsContact C-N 3.33Å; E553-W555 PolarHBondContact O-N 3.22Å; E553-R556 PolarHBondContact O-N 2.96Å; E553-K557 PolarHBondContact O-N 3.19Å; E553-K557 VanDerWaalsContact O-N 3.14Å
554	V	88.4	Confident	80	Confident	3 Å²	3	74 Å²	74	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-45.6	175	174.6	0	0	0	0	110.4	L440 L470 L490 W512 K550 R556 K557 I558	L440-V554 HydrophobicContact CD1-CG2 3.99Å; L440-V554 HydrophobicContact CD2-CG2 3.89Å; L470-V554 HydrophobicContact CD1-CG2 3.76Å; L490-V554 HydrophobicContact CD1-CG2 4.36Å; L490-V554 HydrophobicContact CD2-CG2 4.29Å; L490-V554 HydrophobicContact CG-CG2 4.45Å; W512-V554 HydrophobicContact CH2-CB 3.92Å; W512-V554 HydrophobicContact CH2-CG1 3.66Å; W512-V554 HydrophobicContact CZ2-CG1 4.43Å; W512-V554 HydrophobicContact CZ3-CB 4.27Å; W512-V554 HydrophobicContact CZ3-CG1 3.91Å; K550-V554 PolarHBondContact O-N 3.29Å; V554-R556 VanDerWaalsContact C-N 3.31Å; V554-R556 PolarHBondContact O-N 2.9Å; V554-K557 WeakPolarHBondContact O-CB 3.41Å; V554-K557 PolarHBondContact O-N 3.32Å; V554-K557 VanDerWaalsContact O-N 3.11Å; V554-I558 HydrophobicContact CG1-CD1 3.93Å; V554-I558 PolarHBondContact O-N 3.18Å
555	W	90	Very high	77.8	Confident	31 Å²	31	80.4 Å²	80.4	12%	0.117	37%	0.369	C	S	.	.	H	α-helix	trans	-56	-43.6	178.7	-175.7	88	0	0	0	112.7	W512 S513 S514 I551 E553 I558 Y559	W512-W555 HydrophobicContact CE3-CB 4.48Å; W512-W555 HydrophobicContact CZ3-CB 3.82Å; S513-W555 PolarHBondContact O-NE1 3.14Å; S514-W555 WeakPolarHBondContact O-CZ2 3.43Å; I551-W555 VanDerWaalsContact O-CB 3.26Å; I551-W555 WeakPolarHBondContact O-CB 3.18Å; I551-W555 PolarHBondContact O-N 3.05Å; E553-W555 VanDerWaalsContact C-N 3.33Å; E553-W555 PolarHBondContact O-N 3.22Å; W555-I558 PolarHBondContact O-N 3Å; W555-Y559 AromaticContact CD1-CD2 3.47Å; W555-Y559 VanDerWaalsContact CD1-CD2 3.47Å; W555-Y559 AromaticContact CD1-CE2 3.88Å; W555-Y559 HydrophobicContact CD2-CD2 4.27Å; W555-Y559 AromaticContact CE2-CD2 3.82Å; W555-Y559 HydrophobicContact CG-CD2 4.05Å; W555-Y559 HydrophobicContact CZ2-CG 4.35Å; W555-Y559 AromaticContact NE1-CD2 3.31Å; W555-Y559 VanDerWaalsContact NE1-CD2 3.31Å; W555-Y559 AromaticContact NE1-CE2 3.88Å; W555-Y559 AromaticContact NE1-CG 3.94Å; W555-Y559 PolarHBondContact O-N 2.94Å
556	R	86.1	Confident	75.8	Confident	110 Å²	110	79.8 Å²	79.8	42%	0.415	38%	0.38	S	S	.	.	H	α-helix	trans	-66.1	-40	177.6	-75.2	177.4	-79.7	161.6	-3.6	112.4	Q552 E553 V554 I558 Q560	Q552-R556 VanDerWaalsContact O-CG 3.27Å; Q552-R556 WeakPolarHBondContact O-CG 2.95Å; Q552-R556 PolarHBondContact O-N 2.97Å; Q552-R556 PolarHBondContact O-NE 3.46Å; E553-R556 PolarHBondContact O-N 2.96Å; V554-R556 VanDerWaalsContact C-N 3.31Å; V554-R556 PolarHBondContact O-N 2.9Å; R556-I558 PolarHBondContact O-N 3.46Å; R556-I558 VanDerWaalsContact O-N 3.11Å; R556-Q560 HydrophobicContact CB-CB 4.23Å; R556-Q560 HydrophobicContact CG-CB 4.42Å; R556-Q560 VanDerWaalsContact O-CB 3.24Å; R556-Q560 WeakPolarHBondContact O-CB 3.43Å; R556-Q560 PolarHBondContact O-N 3.5Å
557	K	83.4	Confident	73.3	Confident	106 Å²	106	84.2 Å²	84.2	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-56.9	-26.9	178	-171.6	172	177	177.7	0	112.8	L440 E553 V554	L440-K557 HydrophobicContact CB-CD 4.25Å; L440-K557 HydrophobicContact CD1-CD 4.1Å; L440-K557 PolarHBondContact O-NZ 3.11Å; E553-K557 PolarHBondContact O-N 3.19Å; E553-K557 VanDerWaalsContact O-N 3.14Å; V554-K557 WeakPolarHBondContact O-CB 3.41Å; V554-K557 PolarHBondContact O-N 3.32Å; V554-K557 VanDerWaalsContact O-N 3.11Å
558	I	80.6	Confident	72.3	Confident	48 Å²	48	88.3 Å²	88.3	25%	0.246	43%	0.433	C	S	.	.	H	α-helix	trans	-101.7	-62.3	-177.4	-67.9	146.8	0	0	0	112.2	P494 V554 W555 R556	P494-I558 HydrophobicContact CB-CD1 3.49Å; P494-I558 VanDerWaalsContact CB-CD1 3.49Å; P494-I558 HydrophobicContact CG-CD1 3.59Å; P494-I558 HydrophobicContact CG-CG1 4.5Å; V554-I558 HydrophobicContact CG1-CD1 3.93Å; V554-I558 PolarHBondContact O-N 3.18Å; W555-I558 PolarHBondContact O-N 3Å; R556-I558 PolarHBondContact O-N 3.46Å; R556-I558 VanDerWaalsContact O-N 3.11Å
559	Y	81.1	Confident	71.2	Confident	66 Å²	66	92.4 Å²	92.4	26%	0.259	45%	0.451	S	S	.	.	H	α-helix	trans	-82.6	-33.1	-170.1	-66.4	-76.6	0	0	0	113.3	W512 S513 W555 R561 H562	W512-Y559 HydrophobicContact CB-CE2 4.41Å; W512-Y559 HydrophobicContact CE3-CE2 4.43Å; S513-Y559 WeakPolarHBondContact CA-OH 3.45Å; S513-Y559 PolarHBondContact N-OH 3.23Å; W555-Y559 AromaticContact CD1-CD2 3.47Å; W555-Y559 VanDerWaalsContact CD1-CD2 3.47Å; W555-Y559 AromaticContact CD1-CE2 3.88Å; W555-Y559 HydrophobicContact CD2-CD2 4.27Å; W555-Y559 AromaticContact CE2-CD2 3.82Å; W555-Y559 HydrophobicContact CG-CD2 4.05Å; W555-Y559 HydrophobicContact CZ2-CG 4.35Å; W555-Y559 AromaticContact NE1-CD2 3.31Å; W555-Y559 VanDerWaalsContact NE1-CD2 3.31Å; W555-Y559 AromaticContact NE1-CE2 3.88Å; W555-Y559 AromaticContact NE1-CG 3.94Å; W555-Y559 PolarHBondContact O-N 2.94Å; Y559-R561 VanDerWaalsContact C-N 3.29Å; Y559-R561 PolarHBondContact O-N 2.78Å; Y559-H562 PolarHBondContact O-N 3.25Å
560	Q	67	Low	70.1	Confident	104 Å²	104	90.7 Å²	90.7	49%	0.486	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-75.8	-21	-178.6	-153.7	169.8	30.8	0	0	112.3	R556 H562 Q563	R556-Q560 HydrophobicContact CB-CB 4.23Å; R556-Q560 HydrophobicContact CG-CB 4.42Å; R556-Q560 VanDerWaalsContact O-CB 3.24Å; R556-Q560 WeakPolarHBondContact O-CB 3.43Å; R556-Q560 PolarHBondContact O-N 3.5Å; Q560-H562 PolarHBondContact O-N 3.32Å; Q560-Q563 PolarHBondContact O-N 2.85Å
561	R	56.1	Low	68.9	Low	198 Å²	198	95.8 Å²	95.8	75%	0.747	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-67	-11.4	176.5	-155.6	171	-170.1	165.8	2.3	114.1	Y559	Y559-R561 VanDerWaalsContact C-N 3.29Å; Y559-R561 PolarHBondContact O-N 2.78Å
562	H	50	Low	67.4	Low	163 Å²	163	101.8 Å²	101.8	76%	0.755	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-108.7	2.6	177.3	-72.5	-71.3	0	0	0	114.7	Y559 Q560	Y559-H562 PolarHBondContact O-N 3.25Å; Q560-H562 PolarHBondContact O-N 3.32Å
563	Q	46.1	Very low	65.9	Low	142 Å²	142	105.1 Å²	105.1	66%	0.664	52%	0.519	S	S	*	.	S	Bend	trans	-96.5	1.1	178.8	-75	-168.9	-20.3	0	0	115	Q560	Q560-Q563 PolarHBondContact O-N 2.85Å
564	N	46.7	Very low	64.2	Low	122 Å²	122	108.1 Å²	108.1	65%	0.652	54%	0.535	S	S	*	.			trans	-140.7	85.8	169.6	-108.3	-3.8	0	0	0	111.5	G566	N564-G566 VanDerWaalsContact C-N 3.26Å
565	P	41.8	Very low	62.3	Low	133 Å²	133	116.2 Å²	116.2	86%	0.864	57%	0.574	S	S	*	*	S	Bend	trans	-89.5	19.7	166.5	37.4	-34.9	0	0	0	112.6
566	G	46	Very low	60	Low	59 Å²	59	123.3 Å²	123.3	61%	0.608	61%	0.613	S	S	*	*			trans	-161	78.2	-172.2	0	0	0	0	0	114.5	N564	N564-G566 VanDerWaalsContact C-N 3.26Å
567	L	35.7	Very low	57.7	Low	228 Å²	228	124.5 Å²	124.5	100%	1.194	63%	0.63	S	S	*	*			trans	-155	0	152.7	-115.6	172.1	0	0	0	109

Retrieved 567 of 567 residues in 304.8 ms (Link to these results)

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