A0A087XQK5_POEFO Loading...

Notum, palmitoleoyl-protein carboxylesterase a

AlphaFold DB , UniProt , Accession A0A087XQK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 500 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	30.9	Very low	243 Å²	243	161.6 Å²	161.6	100%	1.197	87%	0.866	S	S	*	*				0	122.8	0	-84.1	173.5	168.4	0	0	108.5
2	K	34	Very low	30.6	Very low	207 Å²	207	161.5 Å²	161.5	90%	0.9	86%	0.863	S	S	*	*			trans	45.7	99.2	163	-60	-178.2	178.9	-179.8	0	116.8
3	A	27.9	Very low	30.5	Very low	95 Å²	95	157.6 Å²	157.6	79%	0.785	85%	0.849	S	S	*	*				58.2	107.4	61.4	0	0	0	0	0	114.6
4	V	32.4	Very low	30.8	Very low	149 Å²	149	155.1 Å²	155.1	90%	0.903	85%	0.845	S	S	*	*			trans	-137.2	115.7	141.6	179.1	0	0	0	0	108.4
5	R	30.7	Very low	30.6	Very low	237 Å²	237	153.9 Å²	153.9	89%	0.894	84%	0.837	S	S	*	*			trans	-77.9	150.8	168.4	-81.6	167.5	164.5	174.8	-4.5	109.5
6	M	25.9	Very low	30.4	Very low	191 Å²	191	155.5 Å²	155.5	94%	0.941	84%	0.843	S	S	*	*			trans	-153.9	112.5	142.7	-109.1	-178.4	179.5	0	0	110.9
7	V	29.4	Very low	30.2	Very low	137 Å²	137	154.6 Å²	154.6	83%	0.83	84%	0.836	S	S	*	*			trans	-152.4	154.9	162.6	178.6	0	0	0	0	103.3
8	P	39.7	Very low	30.1	Very low	100 Å²	100	152.2 Å²	152.2	65%	0.649	83%	0.827	S	S	*	*			cis	-127.2	172.8	-5.6	21.2	2.5	0	0	0	113.7
9	S	29	Very low	29.9	Very low	131 Å²	131	153.5 Å²	153.5	92%	0.916	83%	0.833	S	S	*	*			trans	-126.1	134.2	155.3	-65.5	0	0	0	0	110.4
10	L	28.9	Very low	29.7	Very low	141 Å²	141	153.9 Å²	153.9	74%	0.738	83%	0.831	S	S	*	*			trans	-101.8	163.3	-165.7	-121.5	114.6	0	0	0	111.1
11	L	27.9	Very low	29.6	Very low	147 Å²	147	155.7 Å²	155.7	77%	0.77	83%	0.834	S	S	*	*			trans	80.4	130.7	160.1	-58.7	152.4	0	0	0	115.1
12	L	27.3	Very low	29.7	Very low	160 Å²	160	150 Å²	150	84%	0.838	82%	0.815	S	S	*	*			cis	-153.6	148.3	32.5	-97.7	113.8	0	0	0	112.4
13	V	29.9	Very low	29.2	Very low	111 Å²	111	143.8 Å²	143.8	67%	0.673	81%	0.81	S	S	*	*			trans	-87.1	157.5	161.8	168.8	0	0	0	0	108.9	L15	V13-L15 HydrophobicContact CG1-CD1 4.26Å
14	P	33.9	Very low	29.3	Very low	122 Å²	122	144 Å²	144	79%	0.792	81%	0.812	S	S	*	*				-131.3	126.3	126.3	28.2	-13.1	0	0	0	113.8
15	L	28.2	Very low	29	Very low	138 Å²	138	145.1 Å²	145.1	72%	0.723	81%	0.812	S	S	*	*			trans	-57.4	142.3	152.8	-116.3	79.5	0	0	0	109.1	V13	V13-L15 HydrophobicContact CG1-CD1 4.26Å
16	L	27.5	Very low	28.8	Very low	179 Å²	179	140.3 Å²	140.3	94%	0.937	81%	0.813	S	S	*	*			trans	-146.4	104.1	150.4	-107.6	153.7	0	0	0	108.8
17	L	27.2	Very low	28.8	Very low	140 Å²	140	135.5 Å²	135.5	73%	0.733	80%	0.803	S	S	*	*			trans	-107.1	124.8	173.7	-125.3	129.1	0	0	0	108
18	V	27.6	Very low	28.8	Very low	111 Å²	111	139.8 Å²	139.8	67%	0.673	81%	0.805	S	S	*	*			trans	50.5	122.8	141.5	-177.5	0	0	0	0	119.4
19	L	26.6	Very low	28.3	Very low	177 Å²	177	146.5 Å²	146.5	93%	0.927	82%	0.817	S	S	*	*			trans	-138.1	117.8	137.8	-94.1	167.6	0	0	0	110.5
20	M	25.5	Very low	28.1	Very low	162 Å²	162	150.2 Å²	150.2	80%	0.798	82%	0.817	S	S	*	*			trans	-73.2	145.1	161.4	-72.1	-134.9	167.1	0	0	110.1
21	Q	28.7	Very low	28.1	Very low	191 Å²	191	155.5 Å²	155.5	89%	0.893	83%	0.827	S	S	*	*				175	161.5	117.5	-95.5	-162.6	-12.4	0	0	113.2
22	P	35.1	Very low	28.1	Very low	123 Å²	123	152.3 Å²	152.3	80%	0.799	83%	0.83	S	S	*	*			trans	-109.2	165.2	-156.9	40.6	-31.3	0	0	0	114.8
23	G	24.7	Very low	28.1	Very low	78 Å²	78	148.4 Å²	148.4	80%	0.804	83%	0.829	S	S	*	*			trans	152.1	142.8	168.2	0	0	0	0	0	109.8
24	A	28.3	Very low	28.2	Very low	99 Å²	99	155.5 Å²	155.5	82%	0.818	84%	0.843	S	S	*	*			cis	-159.4	155.2	14.5	0	0	0	0	0	110.4
25	L	27	Very low	28.1	Very low	173 Å²	173	157.4 Å²	157.4	91%	0.906	85%	0.847	S	S	*	*			trans	-44	133.4	163.9	-71.3	129	0	0	0	112.9
26	C	26.4	Very low	29	Very low	136 Å²	136	155.9 Å²	155.9	92%	0.919	85%	0.845	S	S	*	*			trans	-99.8	97.4	161.4	-156.2	0	0	0	0	109.1
27	A	26.1	Very low	29.3	Very low	89 Å²	89	156.6 Å²	156.6	74%	0.736	84%	0.844	S	S	*	*			trans	-118	121.1	162.5	0	0	0	0	0	108.5
28	R	29.7	Very low	29.9	Very low	228 Å²	228	154.8 Å²	154.8	86%	0.86	84%	0.841	S	S	*	*			trans	-140.6	105.8	161.2	-85.6	-173.3	174.6	-176.3	-0.1	105.8
29	R	27.8	Very low	29.9	Very low	240 Å²	240	159.9 Å²	159.9	91%	0.906	85%	0.848	S	S	*	*				107.6	112.6	78.4	-105.5	-170.1	-178.7	-177.3	0.6	109.4
30	F	25.5	Very low	30	Very low	210 Å²	210	162.7 Å²	162.7	92%	0.921	85%	0.846	S	S	*	*			trans	-53.8	147.6	165.1	-95.1	-103.3	0	0	0	113.3
31	R	29.3	Very low	30.4	Very low	251 Å²	251	160.2 Å²	160.2	95%	0.947	84%	0.844	S	S	*	*			trans	-135.2	117	147	-100.6	-175.3	170.9	179.2	-2.5	109.7
32	G	27.3	Very low	30.9	Very low	81 Å²	81	156.8 Å²	156.8	84%	0.835	84%	0.839	S	S	*	*			trans	35.6	128.3	145.2	0	0	0	0	0	118.9
33	G	27.7	Very low	30.9	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	84%	0.835	S	S	*	*			cis	113.1	103.8	33.7	0	0	0	0	0	108.6
34	R	31.6	Very low	31.6	Very low	259 Å²	259	158.1 Å²	158.1	98%	0.977	83%	0.833	S	S	*	*			trans	-163.5	144.2	152.7	-110.4	173.8	-175.1	-174.7	1.2	111.1
35	N	32.5	Very low	32.3	Very low	163 Å²	163	158.5 Å²	158.5	87%	0.872	83%	0.828	S	S	*	*			trans	-79.4	171.5	-156.1	-110.2	-3.7	0	0	0	116
36	P	46.9	Very low	32.3	Very low	106 Å²	106	156.9 Å²	156.9	69%	0.688	83%	0.825	S	S	*	*			trans	-101.7	164.5	-162	40	-34.6	0	0	0	113.8
37	Q	33.1	Very low	32.6	Very low	194 Å²	194	159.1 Å²	159.1	91%	0.907	82%	0.821	S	S	*	*			trans	-163.3	161.6	152.3	-101.7	-158.9	-11.4	0	0	112.1
38	P	40.4	Very low	32.8	Very low	102 Å²	102	165.9 Å²	165.9	66%	0.662	83%	0.828	S	S	*	*			trans	-125.1	178.5	-132.8	39.1	-22.9	0	0	0	116.3
39	R	28.2	Very low	32.9	Very low	218 Å²	218	159.7 Å²	159.7	82%	0.823	82%	0.82	S	S	*	*			trans	92.9	119.2	154.7	-65.7	176.7	166.2	-176.2	-3.7	119
40	R	28.9	Very low	33.1	Very low	235 Å²	235	155.9 Å²	155.9	89%	0.887	82%	0.817	S	S	*	*				162.2	120.1	103.9	-99.2	161.6	-176.1	-172.8	1.5	111.9
41	S	33.4	Very low	33.7	Very low	110 Å²	110	158.3 Å²	158.3	77%	0.769	82%	0.82	S	S	*	*			trans	-86.1	160.5	145.6	43.9	0	0	0	0	108.4
42	P	39	Very low	33.8	Very low	119 Å²	119	148.9 Å²	148.9	77%	0.773	80%	0.802	S	S	*	*			cis	-148.6	-152.4	42.7	42.4	-18.8	0	0	0	112.7
43	P	35.2	Very low	34.3	Very low	112 Å²	112	153 Å²	153	73%	0.727	80%	0.804	S	S	*	*			cis	-129.2	176.7	-13.2	36.4	-15.6	0	0	0	115.7
44	P	39.9	Very low	34.5	Very low	117 Å²	117	154.6 Å²	154.6	76%	0.76	80%	0.799	S	S	*	*			trans	-91.7	-172.8	168.9	40.2	-33.1	0	0	0	110.8
45	P	42	Very low	35	Very low	108 Å²	108	148.4 Å²	148.4	70%	0.701	79%	0.79	S	S	*	*			cis	-131.6	-177.6	5.2	37.2	-14.5	0	0	0	113.3
46	T	28.4	Very low	35.1	Very low	139 Å²	139	147.9 Å²	147.9	85%	0.853	78%	0.782	S	S	*	*				-169.1	149.3	93.8	37.2	0	0	0	0	113.9
47	H	32.6	Very low	34.6	Very low	182 Å²	182	148 Å²	148	84%	0.843	79%	0.785	S	S	*	*			trans	-60.6	146.8	177.7	-84	-86.3	0	0	0	116.6
48	R	29.8	Very low	34.7	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	78%	0.777	S	S	*	*				177.1	104.4	126.7	-98.7	172	177.5	-178.7	-0.8	108.6
49	S	31.2	Very low	34.7	Very low	98 Å²	98	147.6 Å²	147.6	69%	0.685	78%	0.783	S	S	*	*				42.8	92.1	93.1	71	0	0	0	0	114.1
50	D	31.9	Very low	35.4	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	77%	0.772	S	S	*	*				-176.4	125.4	105.5	-107.2	-25.2	0	0	0	110.8	G52	D50-G52 PolarHBondContact O-N 2.78Å
51	R	38.4	Very low	36	Very low	260 Å²	260	137.3 Å²	137.3	98%	0.981	76%	0.761	S	S	*	*			trans	-87.9	92.1	162.9	-97.2	-178.7	172.2	175.7	-2.8	106.5
52	G	30.9	Very low	36.9	Very low	54 Å²	54	138 Å²	138	56%	0.557	75%	0.751	S	S	*	*			trans	-113	120.1	160.9	0	0	0	0	0	107.9	D50 T54	D50-G52 PolarHBondContact O-N 2.78Å; G52-T54 VanDerWaalsContact C-N 3.29Å; G52-T54 PolarHBondContact O-N 3.43Å
53	D	39.3	Very low	37.6	Very low	167 Å²	167	138.2 Å²	138.2	89%	0.893	75%	0.75	S	S	*	*			trans	-67.8	89.7	171.2	-163.5	14.2	0	0	0	107.7	T55	D53-T55 PolarHBondContact O-N 2.88Å
54	T	31.5	Very low	38.4	Very low	112 Å²	112	137.1 Å²	137.1	69%	0.687	75%	0.75	S	S	*	*			trans	-81.7	100.7	176	48.9	0	0	0	0	108.2	G52 E56	G52-T54 VanDerWaalsContact C-N 3.29Å; G52-T54 PolarHBondContact O-N 3.43Å; T54-E56 VanDerWaalsContact C-N 3.34Å; T54-E56 PolarHBondContact O-N 3.04Å
55	T	41.4	Very low	39.1	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	73%	0.727	S	S	*	*			trans	-57.2	102.7	152.7	43.2	0	0	0	0	107.5	D53 S57	D53-T55 PolarHBondContact O-N 2.88Å; T55-S57 VanDerWaalsContact C-N 3.34Å; T55-S57 PolarHBondContact O-N 2.83Å
56	E	34.9	Very low	39.6	Very low	151 Å²	151	137.8 Å²	137.8	71%	0.706	74%	0.737	S	S	*	*			trans	-64.7	96.6	168.8	-75.1	-169.6	160.7	0	0	108.3	T54 F58	T54-E56 VanDerWaalsContact C-N 3.34Å; T54-E56 PolarHBondContact O-N 3.04Å; E56-F58 HydrophobicContact CB-CE2 4.06Å; E56-F58 PolarHBondContact O-N 2.99Å
57	S	35.6	Very low	40.7	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	74%	0.739	S	S	*	*			trans	-79.7	112.4	165.9	57	0	0	0	0	108.1	T55 P59	T55-S57 VanDerWaalsContact C-N 3.34Å; T55-S57 PolarHBondContact O-N 2.83Å; S57-P59 VanDerWaalsContact O-CD 3.23Å; S57-P59 WeakPolarHBondContact O-CD 3.29Å
58	F	36.7	Very low	42.1	Very low	166 Å²	166	136 Å²	136	73%	0.728	72%	0.722	S	S	*	*			trans	-82.6	110.6	167.1	-73.4	-89.2	0	0	0	108.6	E56 L60	E56-F58 HydrophobicContact CB-CE2 4.06Å; E56-F58 PolarHBondContact O-N 2.99Å; F58-L60 PolarHBondContact O-N 3.26Å
59	P	39.5	Very low	43.7	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	71%	0.709	S	S	*	*			trans	-69.5	116.1	170.4	28.4	-30.4	0	0	0	108.1	S57 D61	S57-P59 VanDerWaalsContact O-CD 3.23Å; S57-P59 WeakPolarHBondContact O-CD 3.29Å; P59-D61 PolarHBondContact O-N 3.31Å
60	L	42.8	Very low	45.2	Very low	114 Å²	114	132.3 Å²	132.3	60%	0.597	71%	0.71	S	S	*	*			trans	-77.5	110.6	166.3	-73.1	167.8	0	0	0	107.2	F58 F62	F58-L60 PolarHBondContact O-N 3.26Å; L60-F62 HydrophobicContact CB-CD2 4.38Å; L60-F62 HydrophobicContact CB-CE2 3.68Å; L60-F62 HydrophobicContact CB-CZ 3.93Å; L60-F62 HydrophobicContact CD1-CZ 4.42Å; L60-F62 WeakPolarHBondContact O-CD2 3.47Å; L60-F62 VanDerWaalsContact O-CE2 3.31Å; L60-F62 WeakPolarHBondContact O-CE2 3.44Å
61	D	42.4	Very low	46.7	Very low	123 Å²	123	128.6 Å²	128.6	66%	0.658	69%	0.69	S	S	*	*			trans	-78	117.2	173.1	-172.6	-4.4	0	0	0	109.2	P59 T63	P59-D61 PolarHBondContact O-N 3.31Å; D61-T63 VanDerWaalsContact OD1-CB 3.29Å; D61-T63 WeakPolarHBondContact OD1-CB 3.48Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.46Å; D61-T63 PolarHBondContact OD1-N 3.29Å; D61-T63 PolarHBondContact OD1-OG1 2.6Å; D61-T63 PolarHBondContact OD2-OG1 3.33Å
62	F	51.9	Low	48.2	Very low	125 Å²	125	118.8 Å²	118.8	55%	0.548	65%	0.654	S	S	.	*			trans	-98.9	10.3	-178	-68.6	-86.8	0	0	0	112.8	L60 A64 V65 F72	L60-F62 HydrophobicContact CB-CD2 4.38Å; L60-F62 HydrophobicContact CB-CE2 3.68Å; L60-F62 HydrophobicContact CB-CZ 3.93Å; L60-F62 HydrophobicContact CD1-CZ 4.42Å; L60-F62 WeakPolarHBondContact O-CD2 3.47Å; L60-F62 VanDerWaalsContact O-CE2 3.31Å; L60-F62 WeakPolarHBondContact O-CE2 3.44Å; F62-A64 PolarHBondContact O-N 3.14Å; F62-V65 HydrophobicContact CD1-CG2 4.37Å; F62-V65 PolarHBondContact O-N 3.22Å; F62-F72 HydrophobicContact CD1-CE2 4.39Å; F62-F72 HydrophobicContact CD1-CZ 4.19Å; F62-F72 HydrophobicContact CE1-CE1 4.38Å; F62-F72 HydrophobicContact CE1-CE2 4.05Å; F62-F72 AromaticContact CE1-CZ 3.55Å; F62-F72 HydrophobicContact CE1-CZ 3.55Å
63	T	53.1	Low	50	Low	124 Å²	124	120.7 Å²	120.7	76%	0.761	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.7	-174.1	52	0	0	0	0	115	D61	D61-T63 VanDerWaalsContact OD1-CB 3.29Å; D61-T63 WeakPolarHBondContact OD1-CB 3.48Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.46Å; D61-T63 PolarHBondContact OD1-N 3.29Å; D61-T63 PolarHBondContact OD1-OG1 2.6Å; D61-T63 PolarHBondContact OD2-OG1 3.33Å
64	A	51.6	Low	51.2	Low	88 Å²	88	116 Å²	116	73%	0.727	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	30.9	179.2	0	0	0	0	0	114.7	F62	F62-A64 PolarHBondContact O-N 3.14Å
65	V	54.6	Low	52.9	Low	44 Å²	44	116.3 Å²	116.3	27%	0.267	62%	0.621	S	S	.	*			trans	-110.7	47.7	-177	-161.8	0	0	0	0	113	F62 M69 F72	F62-V65 HydrophobicContact CD1-CG2 4.37Å; F62-V65 PolarHBondContact O-N 3.22Å; V65-M69 HydrophobicContact CG1-SD 4.23Å; V65-F72 HydrophobicContact CG1-CG 4.46Å; V65-F72 HydrophobicContact CG2-CD2 4.4Å
66	E	52.6	Low	54.5	Low	195 Å²	195	113.1 Å²	113.1	91%	0.911	60%	0.601	S	S	*	*	S	Bend	trans	-110.1	-15.8	166.1	-80.8	-172.6	157.9	0	0	113.9
67	E	51.9	Low	55.7	Low	194 Å²	194	112.5 Å²	112.5	91%	0.907	60%	0.596	S	S	*	*	S	Bend	trans	-120.9	-3.7	-174.8	-65.7	-170.1	163.8	0	0	115.8
68	N	62.6	Low	57.2	Low	90 Å²	90	111.3 Å²	111.3	48%	0.481	58%	0.581	S	S	.	*			trans	-148.5	52.6	-172.7	-140.8	-15	0	0	0	115.7	D70 N71 F72	N68-D70 VanDerWaalsContact C-N 3.3Å; N68-D70 PolarHBondContact O-N 3.19Å; N68-N71 HydrophobicContact CB-CB 4.35Å; N68-N71 PolarHBondContact O-N 2.77Å; N68-N71 WeakPolarHBondContact OD1-CB 3.41Å; N68-F72 PolarHBondContact O-N 3.34Å; N68-F72 VanDerWaalsContact O-N 3.16Å
69	M	63.1	Low	58.9	Low	120 Å²	120	107.8 Å²	107.8	59%	0.591	57%	0.57	S	S	*	*	H	α-helix	trans	-55.4	-39.3	-178.1	-162.1	82.2	66	0	0	113.5	V65 F72 M73	V65-M69 HydrophobicContact CG1-SD 4.23Å; M69-F72 PolarHBondContact O-N 2.99Å; M69-M73 WeakPolarHBondContact O-CG 3.34Å; M69-M73 PolarHBondContact O-N 2.99Å
70	D	62.3	Low	60.2	Low	132 Å²	132	104.7 Å²	104.7	71%	0.706	55%	0.554	S	S	*	*	H	α-helix	trans	-69	-37.1	-177.3	-67.9	-34.3	0	0	0	112	N68 T74	N68-D70 VanDerWaalsContact C-N 3.3Å; N68-D70 PolarHBondContact O-N 3.19Å; D70-T74 WeakPolarHBondContact O-CB 3.41Å; D70-T74 PolarHBondContact O-N 3.46Å; D70-T74 PolarHBondContact O-OG1 3.01Å
71	N	64.3	Low	61.2	Low	82 Å²	82	105.8 Å²	105.8	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-72.5	-37.6	178.4	-148.7	8.7	0	0	0	110.9	N68 T74 Q75	N68-N71 HydrophobicContact CB-CB 4.35Å; N68-N71 PolarHBondContact O-N 2.77Å; N68-N71 WeakPolarHBondContact OD1-CB 3.41Å; N71-T74 WeakPolarHBondContact O-CB 3.22Å; N71-T74 PolarHBondContact O-N 3.36Å; N71-Q75 WeakPolarHBondContact O-CG 3.42Å; N71-Q75 PolarHBondContact O-N 2.76Å
72	F	69.7	Low	62.2	Low	55 Å²	55	103.7 Å²	103.7	24%	0.241	55%	0.551	C	S	.	*	H	α-helix	trans	-62.9	-47.9	172.3	178.9	-101.5	0	0	0	112.1	F62 V65 N68 M69 T74 Q75 V76	F62-F72 HydrophobicContact CD1-CE2 4.39Å; F62-F72 HydrophobicContact CD1-CZ 4.19Å; F62-F72 HydrophobicContact CE1-CE1 4.38Å; F62-F72 HydrophobicContact CE1-CE2 4.05Å; F62-F72 AromaticContact CE1-CZ 3.55Å; F62-F72 HydrophobicContact CE1-CZ 3.55Å; V65-F72 HydrophobicContact CG1-CG 4.46Å; V65-F72 HydrophobicContact CG2-CD2 4.4Å; N68-F72 PolarHBondContact O-N 3.34Å; N68-F72 VanDerWaalsContact O-N 3.16Å; M69-F72 PolarHBondContact O-N 2.99Å; F72-T74 PolarHBondContact O-N 3.29Å; F72-Q75 PolarHBondContact O-N 3.36Å; F72-Q75 VanDerWaalsContact O-N 3.11Å; F72-V76 HydrophobicContact CD1-CG2 4.21Å; F72-V76 HydrophobicContact CE1-CG2 3.68Å; F72-V76 HydrophobicContact CE2-CG2 4.08Å; F72-V76 HydrophobicContact CZ-CG2 3.58Å; F72-V76 WeakPolarHBondContact O-CG2 3.35Å; F72-V76 PolarHBondContact O-N 3.47Å
73	M	68.6	Low	62.8	Low	94 Å²	94	102.5 Å²	102.5	46%	0.463	55%	0.55	S	S	.	.	H	α-helix	trans	-62.5	-33	176.6	-73.9	-59.8	-65	0	0	112.4	M69 K77	M69-M73 WeakPolarHBondContact O-CG 3.34Å; M69-M73 PolarHBondContact O-N 2.99Å; M73-K77 WeakPolarHBondContact O-CB 3.47Å; M73-K77 WeakPolarHBondContact O-CG 3.23Å; M73-K77 PolarHBondContact O-N 3.37Å
74	T	65.1	Low	63.1	Low	67 Å²	67	103.5 Å²	103.5	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-67.4	-42.6	173.6	-57.7	0	0	0	0	111.3	D70 N71 F72 K77 N78	D70-T74 WeakPolarHBondContact O-CB 3.41Å; D70-T74 PolarHBondContact O-N 3.46Å; D70-T74 PolarHBondContact O-OG1 3.01Å; N71-T74 WeakPolarHBondContact O-CB 3.22Å; N71-T74 PolarHBondContact O-N 3.36Å; F72-T74 PolarHBondContact O-N 3.29Å; T74-K77 PolarHBondContact O-N 2.96Å; T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 3.16Å; T74-N78 PolarHBondContact O-ND2 3.33Å; T74-N78 PolarHBondContact O-OD1 3.5Å
75	Q	66.6	Low	63.3	Low	119 Å²	119	103.6 Å²	103.6	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-40.7	175.1	-73.2	176.7	-2.5	0	0	112.6	N71 F72 N78 L79	N71-Q75 WeakPolarHBondContact O-CG 3.42Å; N71-Q75 PolarHBondContact O-N 2.76Å; F72-Q75 PolarHBondContact O-N 3.36Å; F72-Q75 VanDerWaalsContact O-N 3.11Å; Q75-N78 PolarHBondContact O-N 3.4Å; Q75-L79 WeakPolarHBondContact O-CB 3.49Å; Q75-L79 PolarHBondContact O-N 3.19Å
76	V	73.7	Confident	63.4	Low	63 Å²	63	106.6 Å²	106.6	38%	0.382	56%	0.556	S	S	.	*	H	α-helix	trans	-63.9	-42.6	174.8	173.7	0	0	0	0	111	F72 L79 A80	F72-V76 HydrophobicContact CD1-CG2 4.21Å; F72-V76 HydrophobicContact CE1-CG2 3.68Å; F72-V76 HydrophobicContact CE2-CG2 4.08Å; F72-V76 HydrophobicContact CZ-CG2 3.58Å; F72-V76 WeakPolarHBondContact O-CG2 3.35Å; F72-V76 PolarHBondContact O-N 3.47Å; V76-L79 PolarHBondContact O-N 3.2Å; V76-A80 VanDerWaalsContact O-CB 3.29Å; V76-A80 WeakPolarHBondContact O-CB 3.27Å; V76-A80 PolarHBondContact O-N 3.06Å
77	K	62	Low	63.5	Low	138 Å²	138	100.4 Å²	100.4	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-62	-44.2	174	-79.7	-179.9	-179.9	179.9	0	111.9	M73 T74 A80 Q81	M73-K77 WeakPolarHBondContact O-CB 3.47Å; M73-K77 WeakPolarHBondContact O-CG 3.23Å; M73-K77 PolarHBondContact O-N 3.37Å; T74-K77 PolarHBondContact O-N 2.96Å; K77-A80 PolarHBondContact O-N 3.43Å; K77-Q81 WeakPolarHBondContact O-CB 3.28Å; K77-Q81 PolarHBondContact O-N 3.07Å
78	N	67	Low	63.2	Low	82 Å²	82	93.8 Å²	93.8	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-39.8	178.7	-70.2	-16.5	0	0	0	111.6	T74 Q75 Q81 S82	T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 3.16Å; T74-N78 PolarHBondContact O-ND2 3.33Å; T74-N78 PolarHBondContact O-OD1 3.5Å; Q75-N78 PolarHBondContact O-N 3.4Å; N78-Q81 PolarHBondContact O-N 3.4Å; N78-S82 VanDerWaalsContact O-CB 3.29Å; N78-S82 WeakPolarHBondContact O-CB 3.4Å; N78-S82 PolarHBondContact O-N 2.91Å; N78-S82 PolarHBondContact O-OG 3.28Å
79	L	72.2	Confident	62.5	Low	93 Å²	93	98 Å²	98	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-45.7	175.6	-175.3	64	0	0	0	111	Q75 V76 Q81 S82 L83	Q75-L79 WeakPolarHBondContact O-CB 3.49Å; Q75-L79 PolarHBondContact O-N 3.19Å; V76-L79 PolarHBondContact O-N 3.2Å; L79-Q81 PolarHBondContact O-N 3.47Å; L79-S82 PolarHBondContact O-N 3.41Å; L79-S82 VanDerWaalsContact O-N 3.16Å; L79-L83 HydrophobicContact CD1-CD1 4.02Å; L79-L83 HydrophobicContact CD1-CG 4.27Å; L79-L83 HydrophobicContact CG-CD1 3.87Å; L79-L83 HydrophobicContact CG-CG 4.47Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 3.12Å
80	A	66.2	Low	61.9	Low	57 Å²	57	102.3 Å²	102.3	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.2	0	0	0	0	0	111.6	V76 K77 S82 L83 Y84	V76-A80 VanDerWaalsContact O-CB 3.29Å; V76-A80 WeakPolarHBondContact O-CB 3.27Å; V76-A80 PolarHBondContact O-N 3.06Å; K77-A80 PolarHBondContact O-N 3.43Å; A80-S82 VanDerWaalsContact C-N 3.33Å; A80-S82 PolarHBondContact O-N 2.83Å; A80-L83 PolarHBondContact O-N 2.91Å; A80-Y84 WeakPolarHBondContact O-CB 3.44Å; A80-Y84 PolarHBondContact O-N 3.2Å
81	Q	63.2	Low	61.8	Low	137 Å²	137	100.9 Å²	100.9	64%	0.64	54%	0.537	S	S	*	.	H	α-helix	trans	-66	-32	174.5	-84	178.7	-23.3	0	0	113.2	K77 N78 L79 P85	K77-Q81 WeakPolarHBondContact O-CB 3.28Å; K77-Q81 PolarHBondContact O-N 3.07Å; N78-Q81 PolarHBondContact O-N 3.4Å; L79-Q81 PolarHBondContact O-N 3.47Å; Q81-P85 WeakPolarHBondContact O-CD 3.23Å
82	S	64.4	Low	62.2	Low	78 Å²	78	101 Å²	101	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-78	-28.2	177.9	-58.8	0	0	0	0	112.5	N78 L79 A80	N78-S82 VanDerWaalsContact O-CB 3.29Å; N78-S82 WeakPolarHBondContact O-CB 3.4Å; N78-S82 PolarHBondContact O-N 2.91Å; N78-S82 PolarHBondContact O-OG 3.28Å; L79-S82 PolarHBondContact O-N 3.41Å; L79-S82 VanDerWaalsContact O-N 3.16Å; A80-S82 VanDerWaalsContact C-N 3.33Å; A80-S82 PolarHBondContact O-N 2.83Å
83	L	65.2	Low	62.8	Low	100 Å²	100	102.2 Å²	102.2	52%	0.524	54%	0.544	S	S	.	.	H	α-helix	trans	-87.1	-19.6	176.8	-67.2	172.5	0	0	0	113.1	L79 A80 C86 S87	L79-L83 HydrophobicContact CD1-CD1 4.02Å; L79-L83 HydrophobicContact CD1-CG 4.27Å; L79-L83 HydrophobicContact CG-CD1 3.87Å; L79-L83 HydrophobicContact CG-CG 4.47Å; L79-L83 WeakPolarHBondContact O-CB 3.41Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 3.12Å; A80-L83 PolarHBondContact O-N 2.91Å; L83-C86 PolarHBondContact O-N 3.29Å; L83-S87 PolarHBondContact O-N 2.81Å; L83-S87 PolarHBondContact O-OG 2.94Å; L83-S87 VanDerWaalsContact O-OG 3.06Å
84	Y	58.4	Low	64	Low	146 Å²	146	100 Å²	100	57%	0.573	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-46.1	178.1	-169.8	-92.4	0	0	0	113.1	A80 C86 S87 A88	A80-Y84 WeakPolarHBondContact O-CB 3.44Å; A80-Y84 PolarHBondContact O-N 3.2Å; Y84-C86 VanDerWaalsContact C-N 3.32Å; Y84-C86 PolarHBondContact O-N 3.24Å; Y84-S87 PolarHBondContact O-N 3.34Å; Y84-S87 PolarHBondContact O-OG 3.08Å; Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.3Å; Y84-A88 PolarHBondContact O-N 3.39Å; Y84-A88 VanDerWaalsContact O-N 3.07Å
85	P	55.6	Low	65.6	Low	89 Å²	89	97 Å²	97	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-65.7	-30.9	175.5	-13.8	22.3	0	0	0	113.9	Q81 S87	Q81-P85 WeakPolarHBondContact O-CD 3.23Å; P85-S87 VanDerWaalsContact C-N 3.32Å
86	C	57.3	Low	67.1	Low	107 Å²	107	96.5 Å²	96.5	72%	0.723	51%	0.511	S	S	*	.	H	α-helix	trans	-75.5	-21	-179.1	-66.1	0	0	0	0	113	L83 Y84	L83-C86 PolarHBondContact O-N 3.29Å; Y84-C86 VanDerWaalsContact C-N 3.32Å; Y84-C86 PolarHBondContact O-N 3.24Å
87	S	54	Low	68.3	Low	65 Å²	65	94.4 Å²	94.4	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-100.3	-13	175	52.8	0	0	0	0	113.5	L83 Y84 P85 Q89 L91	L83-S87 PolarHBondContact O-N 2.81Å; L83-S87 PolarHBondContact O-OG 2.94Å; L83-S87 VanDerWaalsContact O-OG 3.06Å; Y84-S87 PolarHBondContact O-N 3.34Å; Y84-S87 PolarHBondContact O-OG 3.08Å; P85-S87 VanDerWaalsContact C-N 3.32Å; S87-Q89 PolarHBondContact O-N 3.02Å; S87-L91 VanDerWaalsContact O-CD1 3.28Å; S87-L91 WeakPolarHBondContact O-CD1 3.42Å
88	A	45.6	Very low	70	Confident	56 Å²	56	89.7 Å²	89.7	46%	0.463	48%	0.479	S	S	.	.			trans	-76	27.1	179.9	0	0	0	0	0	114.9	Y84 K90	Y84-A88 VanDerWaalsContact O-CB 3.28Å; Y84-A88 WeakPolarHBondContact O-CB 3.3Å; Y84-A88 PolarHBondContact O-N 3.39Å; Y84-A88 VanDerWaalsContact O-N 3.07Å; A88-K90 VanDerWaalsContact C-N 3.27Å; A88-K90 PolarHBondContact O-N 3.05Å
89	Q	48.8	Very low	71.5	Confident	178 Å²	178	90 Å²	90	83%	0.832	48%	0.476	S	S	*	.	S	Bend	trans	-68.7	91.1	159.8	-85.9	-177.6	-7.1	0	0	108.4	S87 L91	S87-Q89 PolarHBondContact O-N 3.02Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.23Å
90	K	50.6	Low	72.8	Confident	210 Å²	210	85.9 Å²	85.9	91%	0.913	46%	0.455	S	S	*	.			trans	36.6	55.5	165.9	-124.4	-174.1	-171.6	-175.5	0	113.5	A88 D92	A88-K90 VanDerWaalsContact C-N 3.27Å; A88-K90 PolarHBondContact O-N 3.05Å; K90-D92 PolarHBondContact O-N 3.46Å
91	L	58.6	Low	74.1	Confident	102 Å²	102	89.2 Å²	89.2	53%	0.534	47%	0.469	S	S	.	.			trans	-59.1	114.7	172.8	-88.8	149	0	0	0	107.7	S87 Q89 H93	S87-L91 VanDerWaalsContact O-CD1 3.28Å; S87-L91 WeakPolarHBondContact O-CD1 3.42Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.23Å; L91-H93 VanDerWaalsContact C-N 3.33Å; L91-H93 PolarHBondContact O-CD2 3.31Å; L91-H93 PolarHBondContact O-N 3.42Å; L91-H93 PolarHBondContact O-NE2 2.79Å
92	D	73.3	Confident	75.6	Confident	85 Å²	85	85.4 Å²	85.4	46%	0.455	45%	0.453	S	S	.	.			trans	-67.2	96	173.4	-170.8	0.8	0	0	0	107.4	K90 K96	K90-D92 PolarHBondContact O-N 3.46Å; D92-K96 WeakPolarHBondContact OD2-CE 3.48Å; D92-K96 IonicContact OD2-NZ 2.94Å; D92-K96 PolarHBondContact OD2-NZ 3.23Å
93	H	82.8	Confident	77	Confident	81 Å²	81	86.8 Å²	86.8	38%	0.375	46%	0.459	S	S	.	.			trans	-78.3	-11.7	-176.5	-68.4	-68.5	0	0	0	112.5	L91 K118 P170	L91-H93 VanDerWaalsContact C-N 3.33Å; L91-H93 PolarHBondContact O-CD2 3.31Å; L91-H93 PolarHBondContact O-N 3.42Å; L91-H93 PolarHBondContact O-NE2 2.79Å; H93-K118 WeakPolarHBondContact O-CD 3.13Å; H93-P170 HydrophobicContact CB-CG 4.09Å
94	D	94.6	Very high	78.5	Confident	48 Å²	48	85.5 Å²	85.5	26%	0.257	46%	0.458	S	S	.	.	S	Bend	trans	-84.5	147.1	-175.1	-71.7	-5.1	0	0	0	111.8	T161 R163	D94-T161 HydrophobicContact CB-CG2 4.44Å; D94-T161 PolarHBondContact OD2-OG1 3.19Å; D94-R163 WeakPolarHBondContact OD1-CA 3.48Å; D94-R163 WeakPolarHBondContact OD1-CB 3.41Å
95	M	97.8	Very high	80.4	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.01	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.4	168.2	-59.6	170.3	-73	0	0	109.4	L117 K118 T161 K162 M183 F185	M95-L117 CarbonylContact C-O 3.5Å; M95-L117 WeakPolarHBondContact CA-O 3.4Å; M95-K118 HydrophobicContact CB-CB 4.24Å; M95-K118 HydrophobicContact CG-CB 3.58Å; M95-T161 CarbonylContact O-C 3.43Å; M95-T161 WeakPolarHBondContact O-CA 3.48Å; M95-K162 WeakPolarHBondContact CB-O 3.35Å; M95-K162 HydrophobicContact CE-CB 4.34Å; M95-K162 HydrophobicContact CE-CD 4.32Å; M95-K162 HydrophobicContact CE-CG 4.17Å; M95-K162 WeakPolarHBondContact CE-O 3.48Å; M95-K162 PolarHBondContact N-O 2.71Å; M95-K162 PolarHBondContact O-N 3.49Å; M95-M183 HydrophobicContact CG-CB 4.42Å; M95-M183 HydrophobicContact SD-CB 4.05Å; M95-F185 HydrophobicContact CE-CB 4.05Å; M95-F185 HydrophobicContact SD-CB 4.04Å
96	K	98.3	Very high	82.4	Confident	109 Å²	109	75.4 Å²	75.4	47%	0.474	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.9	-177.9	-62	-176.2	-178.5	-176.4	0	111.4	D92 N98 Y116 L117	D92-K96 WeakPolarHBondContact OD2-CE 3.48Å; D92-K96 IonicContact OD2-NZ 2.94Å; D92-K96 PolarHBondContact OD2-NZ 3.23Å; K96-N98 PolarHBondContact O-ND2 2.77Å; K96-Y116 CarbonylContact O-C 3.44Å; K96-Y116 VanDerWaalsContact O-CA 3.25Å; K96-Y116 WeakPolarHBondContact O-CA 3.32Å; K96-L117 PolarHBondContact N-O 3.36Å; K96-L117 PolarHBondContact O-N 3.49Å
97	L	98.6	Very high	84.4	Confident	19 Å²	19	70.3 Å²	70.3	10%	0.099	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.1	177.4	179.7	59.4	0	0	0	111	F99 Y116 W158 Q160	L97-F99 HydrophobicContact CD2-CE1 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.91Å; L97-F99 HydrophobicContact CD2-CZ 3.73Å; L97-F99 HydrophobicContact CG-CE2 4.37Å; L97-F99 HydrophobicContact CG-CZ 4.43Å; L97-Y116 HydrophobicContact CB-CD1 4Å; L97-Y116 HydrophobicContact CB-CE1 3.67Å; L97-Y116 HydrophobicContact CD1-CD2 4.31Å; L97-Y116 HydrophobicContact CD1-CE1 4.3Å; L97-Y116 HydrophobicContact CD1-CE2 3.96Å; L97-Y116 HydrophobicContact CG-CE1 4.46Å; L97-W158 HydrophobicContact CD1-CE3 3.68Å; L97-W158 HydrophobicContact CD1-CZ3 4.2Å; L97-W158 HydrophobicContact CD2-CB 3.97Å; L97-W158 HydrophobicContact CD2-CE3 4.46Å; L97-Q160 WeakPolarHBondContact CB-O 3.35Å; L97-Q160 PolarHBondContact N-O 3.5Å
98	N	98.6	Very high	86.5	Confident	39 Å²	39	67.2 Å²	67.2	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.5	171.7	-66.1	-103.8	0	0	0	107.6	K96 G114 Y115 K224	K96-N98 PolarHBondContact O-ND2 2.77Å; N98-G114 CarbonylContact O-C 3.49Å; N98-G114 WeakPolarHBondContact O-CA 3.49Å; N98-Y115 HydrophobicContact CB-CD1 4.39Å; N98-Y115 HydrophobicContact CB-CD2 4.3Å; N98-Y115 HydrophobicContact CB-CE1 3.98Å; N98-Y115 HydrophobicContact CB-CE2 3.86Å; N98-Y115 PolarHBondContact N-O 3.15Å; N98-Y115 PolarHBondContact O-N 3.23Å; N98-K224 PolarHBondContact OD1-NZ 2.79Å; N98-K224 VanDerWaalsContact OD1-NZ 3.13Å
99	F	98.5	Very high	89	Confident	88 Å²	88	65.8 Å²	65.8	39%	0.386	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.3	169.6	-68.8	-73.9	0	0	0	110.5	L97 P112 W158	L97-F99 HydrophobicContact CD2-CE1 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.91Å; L97-F99 HydrophobicContact CD2-CZ 3.73Å; L97-F99 HydrophobicContact CG-CE2 4.37Å; L97-F99 HydrophobicContact CG-CZ 4.43Å; F99-P112 HydrophobicContact CD1-CB 4.07Å; F99-P112 HydrophobicContact CD1-CG 3.82Å; F99-P112 HydrophobicContact CE1-CG 4.13Å; F99-P112 HydrophobicContact CG-CG 4.4Å; F99-W158 HydrophobicContact CE1-CE3 4.34Å
100	L	98.2	Very high	91.2	Very high	7 Å²	7	59 Å²	59	4%	0.037	32%	0.315	C	S	.	.			trans	-62.5	137.5	173.3	-67	-179.6	0	0	0	110.4	N102 V105 A113 Y115 E216 V217	L100-N102 VanDerWaalsContact C-N 3.29Å; L100-V105 HydrophobicContact CD1-CB 3.94Å; L100-V105 HydrophobicContact CD1-CG1 3.69Å; L100-A113 HydrophobicContact CD1-CB 3.88Å; L100-A113 HydrophobicContact CG-CB 4.49Å; L100-A113 PolarHBondContact N-O 3.01Å; L100-Y115 HydrophobicContact CD2-CD1 4.28Å; L100-Y115 HydrophobicContact CD2-CE1 4.29Å; L100-E216 HydrophobicContact CD1-CB 3.89Å; L100-E216 HydrophobicContact CD2-CB 3.97Å; L100-V217 HydrophobicContact CD2-CG2 3.75Å
101	V	93.6	Very high	93.5	Very high	127 Å²	127	49.6 Å²	49.6	77%	0.77	28%	0.277	S	S	*	.	S	Bend	trans	-64.3	-38.7	173.3	178.3	0	0	0	0	110.7	T103 N220	V101-T103 PolarHBondContact O-N 2.99Å; V101-N220 PolarHBondContact N-OD1 3.37Å
102	N	95.6	Very high	95.3	Very high	58 Å²	58	47 Å²	47	31%	0.31	27%	0.266	S	S	.	.			trans	-79.7	96.9	175.2	-175.3	1	0	0	0	110.4	L100 S104 V105 E216	L100-N102 VanDerWaalsContact C-N 3.29Å; N102-S104 VanDerWaalsContact CG-OG 3.3Å; N102-S104 PolarHBondContact ND2-OG 3.18Å; N102-S104 PolarHBondContact O-N 3.22Å; N102-S104 WeakPolarHBondContact OD1-CB 3.33Å; N102-S104 PolarHBondContact OD1-N 2.81Å; N102-S104 VanDerWaalsContact OD1-N 3.14Å; N102-S104 PolarHBondContact OD1-OG 3.18Å; N102-V105 PolarHBondContact O-N 2.92Å; N102-E216 HydrophobicContact CB-CG 4.45Å
103	T	94.1	Very high	96.5	Very high	107 Å²	107	43 Å²	43	66%	0.656	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.3	-178.8	56.2	0	0	0	0	114.2	V101 V105 T106	V101-T103 PolarHBondContact O-N 2.99Å; T103-V105 PolarHBondContact O-N 2.88Å; T103-T106 WeakPolarHBondContact O-CG2 3.25Å
104	S	96.2	Very high	97.3	Very high	73 Å²	73	39.2 Å²	39.2	51%	0.51	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.9	172.5	70.6	0	0	0	0	113.1	N102 M209	N102-S104 VanDerWaalsContact CG-OG 3.3Å; N102-S104 PolarHBondContact ND2-OG 3.18Å; N102-S104 PolarHBondContact O-N 3.22Å; N102-S104 WeakPolarHBondContact OD1-CB 3.33Å; N102-S104 PolarHBondContact OD1-N 2.81Å; N102-S104 VanDerWaalsContact OD1-N 3.14Å; N102-S104 PolarHBondContact OD1-OG 3.18Å; S104-M209 WeakPolarHBondContact O-CE 3.34Å
105	V	98.1	Very high	97.5	Very high	7 Å²	7	37 Å²	37	4%	0.042	22%	0.215	C	C	.	.	S	Bend	trans	-95.4	106.9	175.3	179.7	0	0	0	0	109	L100 N102 T103 A113 M209 L212 I213 E216	L100-V105 HydrophobicContact CD1-CB 3.94Å; L100-V105 HydrophobicContact CD1-CG1 3.69Å; N102-V105 PolarHBondContact O-N 2.92Å; T103-V105 PolarHBondContact O-N 2.88Å; V105-A113 PolarHBondContact O-N 3.06Å; V105-M209 HydrophobicContact CG2-CE 4.39Å; V105-L212 HydrophobicContact CG1-CB 4.17Å; V105-L212 HydrophobicContact CG2-CB 4.37Å; V105-I213 HydrophobicContact CG1-CB 4.3Å; V105-I213 HydrophobicContact CG1-CG1 3.56Å; V105-E216 HydrophobicContact CB-CG 4.36Å; V105-E216 HydrophobicContact CG2-CG 3.77Å
106	T	98.4	Very high	97.6	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.098	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-120.6	162.2	-166.5	66.5	0	0	0	0	112.7	T103 G110 S111 A207 M209	T103-T106 WeakPolarHBondContact O-CG2 3.25Å; T106-G110 WeakPolarHBondContact CG2-O 3.44Å; T106-S111 CarbonylContact C-O 3.54Å; T106-S111 WeakPolarHBondContact CA-O 3.36Å; T106-S111 WeakPolarHBondContact CB-O 3.35Å; T106-A207 WeakPolarHBondContact OG1-CB 3.5Å; T106-M209 PolarHBondContact N-SD 3.01Å
107	C	98.6	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.			trans	-66.9	174.6	159.5	-62.8	0	0	0	0	111.2	D109 G110 S111 C189	C107-D109 VanDerWaalsContact C-N 3.28Å; C107-D109 PolarHBondContact O-N 3.3Å; C107-G110 PolarHBondContact O-N 3.13Å; C107-S111 PolarHBondContact N-O 3.44Å; C107-C189 WeakPolarHBondContact CA-O 3.49Å; C107-C189 WeakPolarHBondContact CA-SG 3.3Å; C107-C189 HydrophobicContact CB-CB 3.52Å; C107-C189 WeakPolarHBondContact CB-SG 3.4Å; C107-C189 WeakPolarHBondContact SG-CB 3.38Å; C107-C189 CovalentContact SG-SG 2.04Å; C107-C189 PolarHBondContact SG-SG 3.12Å
108	N	98.4	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-43.6	-178.3	-67.5	126.4	0	0	0	113.4	G110 M153 C189 S190 S191 Y206 A207	N108-G110 VanDerWaalsContact C-N 3.29Å; N108-G110 PolarHBondContact O-N 2.89Å; N108-M153 HydrophobicContact CB-CB 3.97Å; N108-M153 HydrophobicContact CB-CE 3.75Å; N108-M153 HydrophobicContact CB-CG 4.41Å; N108-M153 PolarHBondContact N-O 3.27Å; N108-M153 WeakPolarHBondContact OD1-CG 3.41Å; N108-C189 VanDerWaalsContact CG-O 3.3Å; N108-C189 PolarHBondContact N-O 3.25Å; N108-C189 PolarHBondContact OD1-O 2.91Å; N108-S190 PolarHBondContact ND2-O 3.3Å; N108-S190 VanDerWaalsContact OD1-C 3.25Å; N108-S191 VanDerWaalsContact OD1-CB 3.31Å; N108-S191 WeakPolarHBondContact OD1-CB 3.37Å; N108-S191 PolarHBondContact OD1-N 3.46Å; N108-S191 PolarHBondContact OD1-OG 3.4Å; N108-Y206 HydrophobicContact CB-CD1 3.88Å; N108-Y206 HydrophobicContact CB-CG 4.44Å; N108-Y206 CarbonylContact O-C 3.46Å; N108-Y206 VanDerWaalsContact O-CA 3.3Å; N108-Y206 WeakPolarHBondContact O-CA 3.31Å; N108-A207 VanDerWaalsContact CA-O 3.31Å; N108-A207 WeakPolarHBondContact CA-O 3.42Å; N108-A207 PolarHBondContact ND2-O 2.95Å; N108-A207 PolarHBondContact O-N 3.43Å
109	D	96.8	Very high	97.4	Very high	26 Å²	26	35.7 Å²	35.7	14%	0.139	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.6	-176.1	72.4	-9.7	0	0	0	115	C107 S111 Y146 M153 S154 K200	C107-D109 VanDerWaalsContact C-N 3.28Å; C107-D109 PolarHBondContact O-N 3.3Å; D109-S111 WeakPolarHBondContact OD1-CB 3.4Å; D109-S111 PolarHBondContact OD1-N 3.24Å; D109-S111 PolarHBondContact OD1-OG 2.89Å; D109-Y146 HydrophobicContact CB-CE2 3.7Å; D109-Y146 PolarHBondContact OD2-OH 3.45Å; D109-M153 PolarHBondContact N-O 3.49Å; D109-M153 VanDerWaalsContact N-O 3.12Å; D109-S154 WeakPolarHBondContact OD2-CB 3.42Å; D109-S154 PolarHBondContact OD2-OG 3.42Å; D109-K200 PolarHBondContact O-NZ 3.27Å
110	G	96.4	Very high	97.2	Very high	34 Å²	34	32 Å²	32	35%	0.351	19%	0.194	S	C	.	.	S	Bend	trans	97.1	-2.3	-175.2	0	0	0	0	0	114.4	T106 C107 N108	T106-G110 WeakPolarHBondContact CG2-O 3.44Å; C107-G110 PolarHBondContact O-N 3.13Å; N108-G110 VanDerWaalsContact C-N 3.29Å; N108-G110 PolarHBondContact O-N 2.89Å
111	S	97.4	Very high	96.7	Very high	14 Å²	14	42.6 Å²	42.6	10%	0.098	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-66.3	149.3	171	57.7	0	0	0	0	111.1	T106 C107 D109 A113 S155	T106-S111 CarbonylContact C-O 3.54Å; T106-S111 WeakPolarHBondContact CA-O 3.36Å; T106-S111 WeakPolarHBondContact CB-O 3.35Å; C107-S111 PolarHBondContact N-O 3.44Å; D109-S111 WeakPolarHBondContact OD1-CB 3.4Å; D109-S111 PolarHBondContact OD1-N 3.24Å; D109-S111 PolarHBondContact OD1-OG 2.89Å; S111-A113 PolarHBondContact O-N 3.38Å; S111-S155 WeakPolarHBondContact CB-OG 3.3Å; S111-S155 PolarHBondContact OG-N 3.36Å; S111-S155 PolarHBondContact OG-OG 2.9Å
112	P	97.8	Very high	96.5	Very high	47 Å²	47	40.6 Å²	40.6	31%	0.305	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-63.3	131.8	-177	25.5	-34.1	0	0	0	110.5	F99 S155	F99-P112 HydrophobicContact CD1-CB 4.07Å; F99-P112 HydrophobicContact CD1-CG 3.82Å; F99-P112 HydrophobicContact CE1-CG 4.13Å; F99-P112 HydrophobicContact CG-CG 4.4Å; P112-S155 VanDerWaalsContact O-CB 3.22Å; P112-S155 WeakPolarHBondContact O-CB 3.23Å; P112-S155 PolarHBondContact O-OG 3.35Å
113	A	98.7	Very high	96.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-72	170.8	170.3	0	0	0	0	0	110.7	L100 V105 S111 I213	L100-A113 HydrophobicContact CD1-CB 3.88Å; L100-A113 HydrophobicContact CG-CB 4.49Å; L100-A113 PolarHBondContact N-O 3.01Å; V105-A113 PolarHBondContact O-N 3.06Å; S111-A113 PolarHBondContact O-N 3.38Å; A113-I213 HydrophobicContact CB-CD1 3.77Å; A113-I213 HydrophobicContact CB-CG1 3.7Å; A113-I213 HydrophobicContact CB-CG2 4.2Å
114	G	98.6	Very high	96.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-173.1	-176.1	0	0	0	0	0	112.7	N98 P187	N98-G114 CarbonylContact O-C 3.49Å; N98-G114 WeakPolarHBondContact O-CA 3.49Å; G114-P187 WeakPolarHBondContact O-CD 3.36Å
115	Y	98.9	Very high	96.8	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.5	-177.5	59.6	-81.2	0	0	0	110.3	N98 L100 L117 V184 F185 V217 N220 L221 K224	N98-Y115 HydrophobicContact CB-CD1 4.39Å; N98-Y115 HydrophobicContact CB-CD2 4.3Å; N98-Y115 HydrophobicContact CB-CE1 3.98Å; N98-Y115 HydrophobicContact CB-CE2 3.86Å; N98-Y115 PolarHBondContact N-O 3.15Å; N98-Y115 PolarHBondContact O-N 3.23Å; L100-Y115 HydrophobicContact CD2-CD1 4.28Å; L100-Y115 HydrophobicContact CD2-CE1 4.29Å; Y115-L117 HydrophobicContact CD2-CB 4.14Å; Y115-L117 HydrophobicContact CE2-CB 4.03Å; Y115-L117 HydrophobicContact CE2-CD2 4.42Å; Y115-V184 HydrophobicContact CD2-CG1 4.05Å; Y115-V184 HydrophobicContact CG-CG1 4.4Å; Y115-F185 CarbonylContact C-O 3.59Å; Y115-F185 WeakPolarHBondContact CA-O 3.07Å; Y115-V217 HydrophobicContact CD1-CB 4.28Å; Y115-V217 HydrophobicContact CD1-CG1 3.89Å; Y115-V217 HydrophobicContact CD1-CG2 3.7Å; Y115-V217 HydrophobicContact CD2-CG1 4.39Å; Y115-V217 HydrophobicContact CE1-CG1 4.4Å; Y115-V217 HydrophobicContact CE1-CG2 4.49Å; Y115-V217 HydrophobicContact CG-CG1 3.86Å; Y115-V217 HydrophobicContact CG-CG2 4.19Å; Y115-N220 HydrophobicContact CE1-CB 4.07Å; Y115-L221 HydrophobicContact CD2-CD2 4.12Å; Y115-L221 HydrophobicContact CE2-CD2 3.45Å; Y115-L221 VanDerWaalsContact CE2-CD2 3.45Å; Y115-L221 HydrophobicContact CE2-CG 4.29Å; Y115-K224 WeakPolarHBondContact OH-CD 3.36Å; Y115-K224 WeakPolarHBondContact OH-CE 3.45Å
116	Y	98.9	Very high	96.8	Very high	6 Å²	6	41.1 Å²	41.1	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.4	169	-66.1	-98.4	0	0	0	109.3	K96 L97 W158 P159 K162 V184 F185 P187	K96-Y116 CarbonylContact O-C 3.44Å; K96-Y116 VanDerWaalsContact O-CA 3.25Å; K96-Y116 WeakPolarHBondContact O-CA 3.32Å; L97-Y116 HydrophobicContact CB-CD1 4Å; L97-Y116 HydrophobicContact CB-CE1 3.67Å; L97-Y116 HydrophobicContact CD1-CD2 4.31Å; L97-Y116 HydrophobicContact CD1-CE1 4.3Å; L97-Y116 HydrophobicContact CD1-CE2 3.96Å; L97-Y116 HydrophobicContact CG-CE1 4.46Å; Y116-W158 WeakPolarHBondContact OH-CB 3.2Å; Y116-P159 WeakPolarHBondContact CE1-O 3.42Å; Y116-P159 VanDerWaalsContact CZ-O 3.29Å; Y116-P159 VanDerWaalsContact OH-CD 3.23Å; Y116-P159 WeakPolarHBondContact OH-CD 3.45Å; Y116-P159 WeakPolarHBondContact OH-CG 3.38Å; Y116-P159 PolarHBondContact OH-O 2.9Å; Y116-K162 HydrophobicContact CD1-CB 3.47Å; Y116-K162 VanDerWaalsContact CD1-CB 3.47Å; Y116-K162 HydrophobicContact CD2-CB 4.34Å; Y116-K162 HydrophobicContact CD2-CD 4.14Å; Y116-K162 HydrophobicContact CE1-CB 3.63Å; Y116-K162 HydrophobicContact CE2-CB 4.47Å; Y116-K162 HydrophobicContact CE2-CD 4.33Å; Y116-K162 HydrophobicContact CG-CB 3.85Å; Y116-K162 HydrophobicContact CG-CD 4.34Å; Y116-V184 CarbonylContact O-C 3.57Å; Y116-V184 VanDerWaalsContact O-CA 3.23Å; Y116-V184 WeakPolarHBondContact O-CA 3.34Å; Y116-F185 AromaticContact CD2-CD1 3.95Å; Y116-F185 HydrophobicContact CD2-CD1 3.95Å; Y116-F185 PolarHBondContact N-O 3.04Å; Y116-F185 PolarHBondContact O-N 3.42Å; Y116-P187 HydrophobicContact CD2-CG 3.87Å; Y116-P187 HydrophobicContact CE2-CG 3.62Å
117	L	98.6	Very high	96.8	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.7	-179.6	172.5	65.7	0	0	0	111.1	M95 K96 Y115 E119 W126 M183 V184 L221 K224	M95-L117 CarbonylContact C-O 3.5Å; M95-L117 WeakPolarHBondContact CA-O 3.4Å; K96-L117 PolarHBondContact N-O 3.36Å; K96-L117 PolarHBondContact O-N 3.49Å; Y115-L117 HydrophobicContact CD2-CB 4.14Å; Y115-L117 HydrophobicContact CE2-CB 4.03Å; Y115-L117 HydrophobicContact CE2-CD2 4.42Å; L117-E119 HydrophobicContact CD1-CG 4.23Å; L117-E119 HydrophobicContact CD2-CG 3.87Å; L117-E119 HydrophobicContact CG-CG 4Å; L117-W126 HydrophobicContact CD1-CH2 4.29Å; L117-W126 HydrophobicContact CD1-CZ3 3.81Å; L117-M183 WeakPolarHBondContact CA-O 3.23Å; L117-V184 HydrophobicContact CD1-CG2 3.64Å; L117-L221 HydrophobicContact CD1-CD2 4.28Å; L117-L221 HydrophobicContact CD2-CD2 4.27Å; L117-K224 HydrophobicContact CD2-CB 4.45Å; L117-K224 HydrophobicContact CD2-CD 3.71Å
118	K	97.3	Very high	96.8	Very high	39 Å²	39	40.3 Å²	40.3	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.3	160.4	175.8	173.9	-179.2	-69.5	0	108.9	H93 M95 P170 M183	H93-K118 WeakPolarHBondContact O-CD 3.13Å; M95-K118 HydrophobicContact CB-CB 4.24Å; M95-K118 HydrophobicContact CG-CB 3.58Å; K118-P170 HydrophobicContact CD-CB 4.2Å; K118-P170 HydrophobicContact CD-CG 4.48Å; K118-M183 HydrophobicContact CB-CB 4.36Å; K118-M183 PolarHBondContact N-O 2.82Å; K118-M183 PolarHBondContact O-N 2.88Å
119	E	95.8	Very high	96.9	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.411	21%	0.21	S	C	.	.			trans	-75.6	144.4	177.5	-64.9	173.4	-165.9	0	0	110.8	L117	L117-E119 HydrophobicContact CD1-CG 4.23Å; L117-E119 HydrophobicContact CD2-CG 3.87Å; L117-E119 HydrophobicContact CG-CG 4Å
120	S	94.8	Very high	97	Very high	11 Å²	11	39.3 Å²	39.3	8%	0.077	20%	0.204	C	C	.	.			trans	-122.5	97.5	165.1	177.2	0	0	0	0	108.9	G122 S123 N180 N182	S120-G122 PolarHBondContact O-N 3.36Å; S120-S123 WeakPolarHBondContact O-CB 3.36Å; S120-S123 PolarHBondContact O-N 2.91Å; S120-N180 WeakPolarHBondContact CB-O 3.29Å; S120-N180 PolarHBondContact OG-O 3.39Å; S120-N180 VanDerWaalsContact OG-O 3.13Å; S120-N180 PolarHBondContact OG-OD1 3.34Å; S120-N182 PolarHBondContact N-OD1 2.75Å; S120-N182 PolarHBondContact O-OD1 3.13Å
121	R	88.3	Confident	97.1	Very high	230 Å²	230	39 Å²	39	87%	0.868	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	124.6	179.1	-64.5	-176.3	-179.9	-175.9	-0.1	109.3
122	G	89	Confident	97.1	Very high	84 Å²	84	38.5 Å²	38.5	87%	0.866	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-14.8	-175.8	0	0	0	0	0	114.3	S120	S120-G122 PolarHBondContact O-N 3.36Å
123	S	95.4	Very high	97	Very high	17 Å²	17	36.9 Å²	36.9	12%	0.119	18%	0.182	C	C	.	.			trans	-86.3	128.6	172.6	-164.9	0	0	0	0	111.4	S120 R125 N180 N182	S120-S123 WeakPolarHBondContact O-CB 3.36Å; S120-S123 PolarHBondContact O-N 2.91Å; S123-R125 PolarHBondContact OG-N 3.37Å; S123-N180 WeakPolarHBondContact CB-O 2.99Å; S123-N180 PolarHBondContact OG-O 2.96Å; S123-N182 PolarHBondContact O-ND2 2.89Å
124	R	97.5	Very high	96.9	Very high	153 Å²	153	39.9 Å²	39.9	58%	0.577	19%	0.193	S	C	*	.			trans	-98.1	14	171.4	-58.8	-172.1	-175.4	-168.7	1.2	112.5	R230 V231	R124-R230 HydrophobicContact CB-CB 4.14Å; R124-R230 PolarHBondContact O-N 2.03Å; R124-V231 PolarHBondContact O-N 3.18Å
125	R	98.3	Very high	96.8	Very high	82 Å²	82	41.3 Å²	41.3	31%	0.309	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.8	175.6	-73.1	179.1	-84.4	150.5	-7.6	108.7	S123 H177 W178 A181 N182	S123-R125 PolarHBondContact OG-N 3.37Å; R125-H177 PolarHBondContact NH1-O 2.82Å; R125-W178 HydrophobicContact CB-CZ3 4.27Å; R125-A181 HydrophobicContact CB-CB 4.09Å; R125-N182 PolarHBondContact O-N 3.48Å; R125-N182 PolarHBondContact O-ND2 3.26Å; R125-N182 VanDerWaalsContact O-ND2 3.11Å
126	W	98.8	Very high	96.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133	177	-74.8	77.9	0	0	0	109.2	L117 N182 V184 L221 G225 L226 A229 V231 L233	L117-W126 HydrophobicContact CD1-CH2 4.29Å; L117-W126 HydrophobicContact CD1-CZ3 3.81Å; W126-N182 HydrophobicContact CD2-CB 3.47Å; W126-N182 VanDerWaalsContact CD2-CB 3.47Å; W126-N182 HydrophobicContact CE3-CB 3.52Å; W126-N182 HydrophobicContact CG-CB 4.01Å; W126-N182 HydrophobicContact CH2-CB 4.01Å; W126-N182 HydrophobicContact CZ2-CB 3.97Å; W126-N182 HydrophobicContact CZ3-CB 3.78Å; W126-N182 PolarHBondContact NE1-ND2 3Å; W126-V184 HydrophobicContact CE3-CG2 4.12Å; W126-V184 HydrophobicContact CZ3-CG2 4.05Å; W126-L221 HydrophobicContact CE3-CD1 4.44Å; W126-L221 HydrophobicContact CH2-CD2 4.44Å; W126-L221 HydrophobicContact CZ3-CB 4.41Å; W126-L221 HydrophobicContact CZ3-CD1 4.31Å; W126-L221 HydrophobicContact CZ3-CD2 3.83Å; W126-L221 HydrophobicContact CZ3-CG 4.4Å; W126-G225 VanDerWaalsContact CZ2-C 3.42Å; W126-L226 HydrophobicContact CB-CD1 3.75Å; W126-L226 HydrophobicContact CD2-CB 4.26Å; W126-L226 HydrophobicContact CD2-CD1 3.53Å; W126-L226 HydrophobicContact CE3-CD1 4.09Å; W126-L226 HydrophobicContact CG-CD1 3.35Å; W126-L226 HydrophobicContact CH2-CB 4.44Å; W126-L226 HydrophobicContact CZ2-CB 4.14Å; W126-L226 VanDerWaalsContact CZ2-N 3.32Å; W126-A229 VanDerWaalsContact CD1-CB 3.41Å; W126-A229 HydrophobicContact CG-CB 4.34Å; W126-V231 PolarHBondContact N-O 2.93Å; W126-L233 PolarHBondContact O-N 2.75Å
127	L	98.9	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.9	173.1	-168.3	167.4	0	0	0	107.9	F129 I167 L168 W178 N182 M183 V184 L233 A235	L127-F129 HydrophobicContact CD2-CB 3.99Å; L127-I167 HydrophobicContact CD1-CB 4.41Å; L127-I167 HydrophobicContact CD1-CD1 3.84Å; L127-I167 HydrophobicContact CD1-CG1 3.64Å; L127-I167 HydrophobicContact CD1-CG2 4.14Å; L127-L168 HydrophobicContact CD2-CD2 3.62Å; L127-W178 HydrophobicContact CB-CE3 4.16Å; L127-W178 HydrophobicContact CB-CZ3 4.26Å; L127-W178 HydrophobicContact CD1-CE3 4.11Å; L127-N182 PolarHBondContact N-O 2.86Å; L127-M183 HydrophobicContact CB-SD 4.12Å; L127-M183 HydrophobicContact CD1-SD 4.43Å; L127-V184 PolarHBondContact O-N 3.36Å; L127-L233 WeakPolarHBondContact CA-O 3.23Å; L127-L233 HydrophobicContact CD1-CD2 4.39Å; L127-L233 HydrophobicContact CG-CD2 4.4Å; L127-A235 HydrophobicContact CD2-CB 4.05Å
128	I	98.9	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.5	174.9	-58.6	-179	0	0	0	107.6	V184 I186 V218 L221 L232 L233 L234 A235	I128-V184 HydrophobicContact CB-CB 4.45Å; I128-V184 HydrophobicContact CG1-CB 4.11Å; I128-V184 HydrophobicContact CG1-CG1 4.44Å; I128-V184 HydrophobicContact CG1-CG2 4.46Å; I128-V184 HydrophobicContact CG2-CG1 4.23Å; I128-I186 HydrophobicContact CG2-CD1 3.44Å; I128-I186 VanDerWaalsContact CG2-CD1 3.44Å; I128-I186 HydrophobicContact CG2-CG1 3.89Å; I128-V218 HydrophobicContact CD1-CG2 4.05Å; I128-L221 HydrophobicContact CD1-CD1 3.72Å; I128-L221 HydrophobicContact CG1-CD1 4.19Å; I128-L232 HydrophobicContact CD1-CD1 3.99Å; I128-L232 HydrophobicContact CD1-CD2 4.05Å; I128-L232 HydrophobicContact CD1-CG 4.09Å; I128-L232 HydrophobicContact CG1-CD2 4.38Å; I128-L233 PolarHBondContact N-O 2.88Å; I128-L234 HydrophobicContact CB-CD1 4.08Å; I128-L234 HydrophobicContact CG2-CD1 3.9Å; I128-L234 CarbonylContact O-C 3.55Å; I128-L234 WeakPolarHBondContact O-CA 3.41Å; I128-A235 PolarHBondContact O-N 2.98Å
129	F	98.9	Very high	95.9	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.3	-179.8	-179.9	-91.1	0	0	0	111.6	L127 E131 L168 V184 F185 I186 A235 S237 I397 T398	L127-F129 HydrophobicContact CD2-CB 3.99Å; F129-E131 HydrophobicContact CE1-CB 4.43Å; F129-L168 HydrophobicContact CB-CD1 3.86Å; F129-L168 HydrophobicContact CB-CD2 3.96Å; F129-L168 HydrophobicContact CB-CG 4.26Å; F129-L168 HydrophobicContact CD1-CD1 4.1Å; F129-L168 HydrophobicContact CG-CD1 3.9Å; F129-V184 PolarHBondContact N-O 3.32Å; F129-F185 AromaticContact CD1-CD2 3.42Å; F129-F185 HydrophobicContact CD1-CD2 3.42Å; F129-F185 VanDerWaalsContact CD1-CD2 3.42Å; F129-F185 AromaticContact CD1-CE2 3.55Å; F129-F185 HydrophobicContact CD1-CE2 3.55Å; F129-F185 HydrophobicContact CD1-CG 4.41Å; F129-F185 AromaticContact CE1-CD2 3.95Å; F129-F185 HydrophobicContact CE1-CD2 3.95Å; F129-F185 AromaticContact CE1-CE2 3.58Å; F129-F185 HydrophobicContact CE1-CE2 3.58Å; F129-F185 HydrophobicContact CG-CD2 4.38Å; F129-I186 PolarHBondContact O-N 3.48Å; F129-A235 CarbonylContact C-O 3.38Å; F129-A235 VanDerWaalsContact CA-O 3.25Å; F129-A235 WeakPolarHBondContact CA-O 2.96Å; F129-A235 HydrophobicContact CD2-CB 4.25Å; F129-S237 WeakPolarHBondContact CE2-OG 3.38Å; F129-I397 HydrophobicContact CD2-CD1 4.12Å; F129-I397 HydrophobicContact CE2-CD1 3.79Å; F129-I397 HydrophobicContact CE2-CG1 3.88Å; F129-T398 HydrophobicContact CD1-CG2 4.43Å; F129-T398 HydrophobicContact CD2-CG2 3.89Å; F129-T398 HydrophobicContact CE1-CG2 3.97Å; F129-T398 HydrophobicContact CE2-CG2 3.38Å; F129-T398 HydrophobicContact CG-CG2 4.38Å; F129-T398 HydrophobicContact CZ-CG2 3.42Å; F129-T398 VanDerWaalsContact CZ-CG2 3.42Å
130	L	98.9	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117	173.8	-54.6	-177.1	0	0	0	109.6	I186 W194 I214 L234 A235 G236 S237 V244	L130-I186 HydrophobicContact CD2-CB 4.32Å; L130-I186 HydrophobicContact CD2-CD1 3.85Å; L130-I186 HydrophobicContact CD2-CG1 4.39Å; L130-W194 HydrophobicContact CB-CD2 4.42Å; L130-W194 HydrophobicContact CB-CZ2 4Å; L130-W194 HydrophobicContact CD1-CD2 4.38Å; L130-W194 HydrophobicContact CD1-CG 4.32Å; L130-W194 HydrophobicContact CD2-CD2 4.32Å; L130-W194 HydrophobicContact CD2-CE3 4.25Å; L130-W194 HydrophobicContact CD2-CH2 4.2Å; L130-W194 HydrophobicContact CD2-CZ2 4.26Å; L130-W194 HydrophobicContact CD2-CZ3 4.2Å; L130-I214 HydrophobicContact CD1-CD1 3.71Å; L130-I214 HydrophobicContact CD2-CD1 3.92Å; L130-I214 HydrophobicContact CD2-CG1 3.82Å; L130-I214 HydrophobicContact CG-CD1 4.49Å; L130-L234 HydrophobicContact CD1-CD1 4.11Å; L130-L234 HydrophobicContact CD1-CD2 4.47Å; L130-L234 HydrophobicContact CD1-CG 4.34Å; L130-L234 HydrophobicContact CD2-CD1 4.11Å; L130-L234 HydrophobicContact CG-CD1 4.02Å; L130-A235 PolarHBondContact N-O 3.13Å; L130-G236 VanDerWaalsContact O-CA 3.26Å; L130-G236 WeakPolarHBondContact O-CA 3.45Å; L130-S237 PolarHBondContact O-N 3.05Å; L130-V244 HydrophobicContact CD1-CG2 4.15Å
131	E	98.9	Very high	95.6	Very high	28 Å²	28	46.5 Å²	46.5	13%	0.131	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.5	146.9	173.1	-166.6	-175.7	-167.5	0	0	111	F129 R151 F152 F185 I186 P187 Y188 W194	F129-E131 HydrophobicContact CE1-CB 4.43Å; E131-R151 IonicContact OE1-CZ 2.75Å; E131-R151 IonicContact OE1-NH1 2.82Å; E131-R151 PolarHBondContact OE1-NH1 3.08Å; E131-F152 HydrophobicContact CG-CE1 4.44Å; E131-F185 HydrophobicContact CB-CE1 4.27Å; E131-F185 HydrophobicContact CB-CE2 4.2Å; E131-F185 HydrophobicContact CB-CZ 3.65Å; E131-F185 HydrophobicContact CG-CE2 4.36Å; E131-F185 HydrophobicContact CG-CZ 3.69Å; E131-I186 PolarHBondContact N-O 3.38Å; E131-P187 VanDerWaalsContact OE2-CA 3.29Å; E131-P187 WeakPolarHBondContact OE2-CA 3.39Å; E131-Y188 WeakPolarHBondContact O-CB 3.43Å; E131-Y188 PolarHBondContact OE2-N 2.97Å; E131-W194 PolarHBondContact O-NE1 3.09Å
132	G	98.4	Very high	96	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	18%	0.181	C	C	.	.			trans	-95.5	-158.1	170.4	0	0	0	0	0	112.9	F152 Y188 S237	G132-F152 WeakPolarHBondContact O-CE1 3.44Å; G132-Y188 VanDerWaalsContact O-CD1 3.31Å; G132-Y188 WeakPolarHBondContact O-CD1 3Å; G132-S237 VanDerWaalsContact CA-O 3.23Å; G132-S237 WeakPolarHBondContact CA-O 3.41Å; G132-S237 PolarHBondContact N-O 3.29Å
133	G	95.9	Very high	96.3	Very high	12 Å²	12	34 Å²	34	12%	0.124	15%	0.152	C	C	.	.			trans	120.8	53.1	174.2	0	0	0	0	0	114.2	R145	G133-R145 VanDerWaalsContact O-CZ 3.3Å; G133-R145 PolarHBondContact O-NH1 2.87Å; G133-R145 VanDerWaalsContact O-NH1 3.08Å; G133-R145 PolarHBondContact O-NH2 3.06Å
134	W	95.9	Very high	96.3	Very high	65 Å²	65	36.2 Å²	36.2	25%	0.246	17%	0.168	C	C	.	.			trans	60.1	-155.2	174.7	-66.9	79	0	0	0	113.6	Y188 T288 I289 T350 V351	W134-Y188 WeakPolarHBondContact O-CE1 3.45Å; W134-Y188 PolarHBondContact O-OH 2.68Å; W134-T288 HydrophobicContact CE3-CG2 4.02Å; W134-I289 HydrophobicContact CE3-CG1 4.46Å; W134-I289 HydrophobicContact CH2-CB 4.49Å; W134-I289 HydrophobicContact CH2-CG1 4.01Å; W134-I289 HydrophobicContact CH2-CG2 4.32Å; W134-I289 HydrophobicContact CZ3-CB 4.49Å; W134-I289 HydrophobicContact CZ3-CG1 3.95Å; W134-T350 HydrophobicContact CH2-CG2 3.82Å; W134-T350 HydrophobicContact CZ2-CG2 3.98Å; W134-V351 HydrophobicContact CH2-CG1 3.7Å; W134-V351 HydrophobicContact CZ3-CG1 3.69Å
135	Y	96.8	Very high	96.2	Very high	30 Å²	30	29.7 Å²	29.7	12%	0.118	14%	0.144	C	C	.	.			trans	-163.1	178	-173.6	38.9	-107.5	0	0	0	109.5	F137 S191 V193 T288 T296 W304	Y135-F137 HydrophobicContact CD2-CD1 4.47Å; Y135-S191 WeakPolarHBondContact CA-O 3.48Å; Y135-S191 VanDerWaalsContact CB-O 3.25Å; Y135-S191 WeakPolarHBondContact CB-O 3.46Å; Y135-V193 HydrophobicContact CD1-CG2 3.48Å; Y135-V193 VanDerWaalsContact CD1-CG2 3.48Å; Y135-V193 HydrophobicContact CE1-CG2 4.3Å; Y135-V193 HydrophobicContact CG-CG2 4.06Å; Y135-T288 HydrophobicContact CD2-CG2 3.91Å; Y135-T288 HydrophobicContact CE2-CG2 3.88Å; Y135-T288 VanDerWaalsContact O-CG2 3.29Å; Y135-T288 WeakPolarHBondContact O-CG2 3.45Å; Y135-T296 HydrophobicContact CD2-CG2 3.75Å; Y135-T296 HydrophobicContact CE2-CG2 3.09Å; Y135-W304 HydrophobicContact CG-CH2 4.22Å; Y135-W304 HydrophobicContact CG-CZ2 4.35Å
136	C	95.6	Very high	96.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.			trans	-142	139.8	168	66.4	0	0	0	0	108.5	N141 C142 S191 W304	C136-N141 WeakPolarHBondContact CA-OD1 3.21Å; C136-N141 VanDerWaalsContact CB-OD1 3.29Å; C136-N141 WeakPolarHBondContact CB-OD1 3.2Å; C136-C142 HydrophobicContact CB-CB 3.87Å; C136-C142 WeakPolarHBondContact CB-SG 3.31Å; C136-C142 WeakPolarHBondContact SG-CA 3.34Å; C136-C142 WeakPolarHBondContact SG-CB 3.39Å; C136-C142 CovalentContact SG-SG 2.03Å; C136-C142 PolarHBondContact SG-SG 2.86Å; C136-S191 PolarHBondContact N-O 2.89Å; C136-W304 VanDerWaalsContact O-CE2 3.31Å; C136-W304 WeakPolarHBondContact O-CZ2 3.46Å; C136-W304 PolarHBondContact O-NE1 3.03Å
137	F	93.7	Very high	96	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	17%	0.174	C	C	.	.			trans	-125.6	4	-166.5	57.6	-103.4	0	0	0	114.5	Y135 N141 C291 T296 R299 Y303 W304	Y135-F137 HydrophobicContact CD2-CD1 4.47Å; F137-N141 WeakPolarHBondContact CD1-ND2 3.08Å; F137-N141 VanDerWaalsContact CD2-ND2 3.34Å; F137-N141 WeakPolarHBondContact CD2-ND2 3.42Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.49Å; F137-N141 VanDerWaalsContact CE2-ND2 3.27Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.45Å; F137-N141 WeakPolarHBondContact CG-ND2 3.48Å; F137-N141 VanDerWaalsContact CZ-ND2 3.32Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.3Å; F137-N141 PolarHBondContact N-ND2 2.96Å; F137-N141 PolarHBondContact N-OD1 3.32Å; F137-C291 HydrophobicContact CE1-CB 4.41Å; F137-C291 HydrophobicContact CZ-CB 4.16Å; F137-T296 HydrophobicContact CD1-CG2 3.3Å; F137-T296 HydrophobicContact CE1-CG2 3.6Å; F137-T296 HydrophobicContact CG-CG2 4.16Å; F137-R299 HydrophobicContact CB-CB 4.26Å; F137-R299 HydrophobicContact CD2-CB 3.9Å; F137-R299 HydrophobicContact CG-CB 4.35Å; F137-Y303 VanDerWaalsContact C-CD1 3.4Å; F137-Y303 WeakPolarHBondContact O-CD1 3.41Å; F137-W304 HydrophobicContact CB-CZ2 4.13Å
138	N	92.1	Very high	95.8	Very high	35 Å²	35	40.5 Å²	40.5	19%	0.187	20%	0.203	C	C	.	.	S	Bend	trans	-149.4	179.1	169.8	63.6	30.5	0	0	0	110	E140 N141 C142	N138-E140 PolarHBondContact OD1-N 2.99Å; N138-E140 PolarHBondContact OD1-OE2 3.22Å; N138-N141 PolarHBondContact N-OD1 2.87Å; N138-N141 PolarHBondContact O-OD1 3.08Å; N138-N141 WeakPolarHBondContact OD1-CB 3.25Å; N138-N141 PolarHBondContact OD1-N 3.12Å; N138-N141 PolarHBondContact OD1-ND2 3.5Å; N138-N141 VanDerWaalsContact OD1-ND2 3.13Å; N138-N141 PolarHBondContact OD1-OD1 3.13Å; N138-N141 VanDerWaalsContact OD1-OD1 3.07Å; N138-C142 VanDerWaalsContact O-CB 3.3Å; N138-C142 WeakPolarHBondContact O-CB 3.49Å; N138-C142 PolarHBondContact O-N 3.35Å; N138-C142 PolarHBondContact O-SG 2.91Å
139	K	92.8	Very high	95.7	Very high	79 Å²	79	44.8 Å²	44.8	34%	0.343	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-44.7	-176	-175.3	60.1	168	70.4	0	111.4	C142 D143 Y206 Y303	K139-C142 PolarHBondContact O-N 2.03Å; K139-D143 IonicContact NZ-OD1 3.87Å; K139-D143 PolarHBondContact NZ-OD1 3.45Å; K139-D143 IonicContact NZ-OD2 2.85Å; K139-D143 PolarHBondContact NZ-OD2 3.12Å; K139-D143 WeakPolarHBondContact O-CB 3.36Å; K139-D143 PolarHBondContact O-N 2.91Å; K139-Y206 HydrophobicContact CD-CD2 4.38Å; K139-Y206 HydrophobicContact CD-CE2 4.14Å; K139-Y303 WeakPolarHBondContact CA-OH 3.39Å; K139-Y303 PolarHBondContact N-OH 3.37Å
140	E	92.6	Very high	95.6	Very high	133 Å²	133	49.7 Å²	49.7	62%	0.621	24%	0.242	S	C	*	.	H	α-helix	trans	-62.6	-47	-174.9	-63.7	74.5	-164.1	0	0	111.8	N138 D143 S144	N138-E140 PolarHBondContact OD1-N 2.99Å; N138-E140 PolarHBondContact OD1-OE2 3.22Å; E140-D143 PolarHBondContact O-N 2.95Å; E140-S144 PolarHBondContact O-N 2.79Å; E140-S144 VanDerWaalsContact O-N 3.09Å
141	N	92.5	Very high	95.5	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-74.7	-29.4	179.2	64.9	26.1	0	0	0	112.6	C136 F137 N138 R145	C136-N141 WeakPolarHBondContact CA-OD1 3.21Å; C136-N141 VanDerWaalsContact CB-OD1 3.29Å; C136-N141 WeakPolarHBondContact CB-OD1 3.2Å; F137-N141 WeakPolarHBondContact CD1-ND2 3.08Å; F137-N141 VanDerWaalsContact CD2-ND2 3.34Å; F137-N141 WeakPolarHBondContact CD2-ND2 3.42Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.49Å; F137-N141 VanDerWaalsContact CE2-ND2 3.27Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.45Å; F137-N141 WeakPolarHBondContact CG-ND2 3.48Å; F137-N141 VanDerWaalsContact CZ-ND2 3.32Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.3Å; F137-N141 PolarHBondContact N-ND2 2.96Å; F137-N141 PolarHBondContact N-OD1 3.32Å; N138-N141 PolarHBondContact N-OD1 2.87Å; N138-N141 PolarHBondContact O-OD1 3.08Å; N138-N141 WeakPolarHBondContact OD1-CB 3.25Å; N138-N141 PolarHBondContact OD1-N 3.12Å; N138-N141 PolarHBondContact OD1-ND2 3.5Å; N138-N141 VanDerWaalsContact OD1-ND2 3.13Å; N138-N141 PolarHBondContact OD1-OD1 3.13Å; N138-N141 VanDerWaalsContact OD1-OD1 3.07Å; N141-R145 VanDerWaalsContact O-CB 3.23Å; N141-R145 WeakPolarHBondContact O-CB 3.46Å; N141-R145 PolarHBondContact O-N 3.07Å
142	C	95.4	Very high	95.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-36.2	170.9	-70.2	0	0	0	0	112.3	C136 N138 K139 R145 Y146 M153 Y206	C136-C142 HydrophobicContact CB-CB 3.87Å; C136-C142 WeakPolarHBondContact CB-SG 3.31Å; C136-C142 WeakPolarHBondContact SG-CA 3.34Å; C136-C142 WeakPolarHBondContact SG-CB 3.39Å; C136-C142 CovalentContact SG-SG 2.03Å; C136-C142 PolarHBondContact SG-SG 2.86Å; N138-C142 VanDerWaalsContact O-CB 3.3Å; N138-C142 WeakPolarHBondContact O-CB 3.49Å; N138-C142 PolarHBondContact O-N 3.35Å; N138-C142 PolarHBondContact O-SG 2.91Å; K139-C142 PolarHBondContact O-N 2.03Å; C142-R145 PolarHBondContact O-N 2.87Å; C142-Y146 WeakPolarHBondContact O-CB 3.22Å; C142-Y146 PolarHBondContact O-N 3.37Å; C142-M153 HydrophobicContact CB-CE 4.09Å; C142-Y206 HydrophobicContact CB-CD2 3.72Å; C142-Y206 HydrophobicContact CB-CE2 3.53Å
143	D	95.3	Very high	95.4	Very high	51 Å²	51	55.8 Å²	55.8	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-49.6	174.9	-72.3	-17.6	0	0	0	110.9	K139 E140 R145 Y146 E147 Y206	K139-D143 IonicContact NZ-OD1 3.87Å; K139-D143 PolarHBondContact NZ-OD1 3.45Å; K139-D143 IonicContact NZ-OD2 2.85Å; K139-D143 PolarHBondContact NZ-OD2 3.12Å; K139-D143 WeakPolarHBondContact O-CB 3.36Å; K139-D143 PolarHBondContact O-N 2.91Å; E140-D143 PolarHBondContact O-N 2.95Å; D143-R145 VanDerWaalsContact C-N 3.3Å; D143-R145 PolarHBondContact O-N 2.95Å; D143-Y146 WeakPolarHBondContact O-CB 3.36Å; D143-Y146 PolarHBondContact O-N 2.82Å; D143-E147 WeakPolarHBondContact O-CG 3.28Å; D143-E147 PolarHBondContact O-N 2.99Å; D143-Y206 WeakPolarHBondContact OD1-CE2 3.43Å; D143-Y206 PolarHBondContact OD1-OH 2.66Å
144	S	95.4	Very high	95.5	Very high	65 Å²	65	55.3 Å²	55.3	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-43.4	174.9	176.5	0	0	0	0	112	E140 Y146 E147 T148	E140-S144 PolarHBondContact O-N 2.79Å; E140-S144 VanDerWaalsContact O-N 3.09Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.3Å; S144-E147 PolarHBondContact O-N 3.26Å; S144-T148 WeakPolarHBondContact O-CB 3.43Å; S144-T148 WeakPolarHBondContact O-CG2 3.28Å; S144-T148 PolarHBondContact O-N 3.35Å; S144-T148 PolarHBondContact O-OG1 2.65Å
145	R	96.4	Very high	95.7	Very high	15 Å²	15	52.5 Å²	52.5	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-36.4	175.2	-174.4	-178.8	173.7	77.5	-1	112.1	G133 N141 C142 D143 E147 M149 M153 S191	G133-R145 VanDerWaalsContact O-CZ 3.3Å; G133-R145 PolarHBondContact O-NH1 2.87Å; G133-R145 VanDerWaalsContact O-NH1 3.08Å; G133-R145 PolarHBondContact O-NH2 3.06Å; N141-R145 VanDerWaalsContact O-CB 3.23Å; N141-R145 WeakPolarHBondContact O-CB 3.46Å; N141-R145 PolarHBondContact O-N 3.07Å; C142-R145 PolarHBondContact O-N 2.87Å; D143-R145 VanDerWaalsContact C-N 3.3Å; D143-R145 PolarHBondContact O-N 2.95Å; R145-E147 VanDerWaalsContact C-N 3.34Å; R145-M149 HydrophobicContact CG-CB 4.14Å; R145-M149 CarbonylContact O-C 3.48Å; R145-M149 VanDerWaalsContact O-C 3.24Å; R145-M149 WeakPolarHBondContact O-CA 2.98Å; R145-M149 WeakPolarHBondContact O-CB 3.02Å; R145-M149 PolarHBondContact O-N 3.32Å; R145-M153 HydrophobicContact CB-SD 3.8Å; R145-M153 HydrophobicContact CG-CG 4.25Å; R145-M153 HydrophobicContact CG-SD 3.61Å; R145-S191 PolarHBondContact NE-OG 3.03Å
146	Y	96.3	Very high	95.7	Very high	54 Å²	54	55 Å²	55	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-37.5	178.3	-171.8	-105.6	0	0	0	111.8	D109 C142 D143 S144 R150 M153 Y206	D109-Y146 HydrophobicContact CB-CE2 3.7Å; D109-Y146 PolarHBondContact OD2-OH 3.45Å; C142-Y146 WeakPolarHBondContact O-CB 3.22Å; C142-Y146 PolarHBondContact O-N 3.37Å; D143-Y146 WeakPolarHBondContact O-CB 3.36Å; D143-Y146 PolarHBondContact O-N 2.82Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-Y146 PolarHBondContact O-N 3.3Å; Y146-R150 HydrophobicContact CD2-CG 4.27Å; Y146-R150 HydrophobicContact CE2-CG 3.94Å; Y146-R150 VanDerWaalsContact O-CB 3.27Å; Y146-R150 WeakPolarHBondContact O-CB 3.49Å; Y146-R150 PolarHBondContact OH-NE 3.36Å; Y146-R150 PolarHBondContact OH-NH2 3.44Å; Y146-M153 VanDerWaalsContact CA-SD 3.52Å; Y146-M153 HydrophobicContact CD2-CB 3.89Å; Y146-M153 HydrophobicContact CD2-SD 4.17Å; Y146-M153 HydrophobicContact CE2-CB 4.46Å; Y146-M153 PolarHBondContact N-SD 3.06Å; Y146-Y206 WeakPolarHBondContact CB-OH 3.47Å; Y146-Y206 HydrophobicContact CD2-CE1 4.13Å; Y146-Y206 HydrophobicContact CG-CE1 4.32Å
147	E	96.2	Very high	95.8	Very high	163 Å²	163	63.6 Å²	63.6	76%	0.762	31%	0.308	S	S	*	.	H	α-helix	trans	-71.9	-45.2	177.4	-68.9	-179.7	175.3	0	0	112.3	D143 S144 R145	D143-E147 WeakPolarHBondContact O-CG 3.28Å; D143-E147 PolarHBondContact O-N 2.99Å; S144-E147 PolarHBondContact O-N 3.26Å; R145-E147 VanDerWaalsContact C-N 3.34Å
148	T	95.2	Very high	96	Very high	97 Å²	97	64.6 Å²	64.6	60%	0.595	31%	0.312	S	S	*	.	H	α-helix	trans	-91.5	-26.9	-171.6	58.7	0	0	0	0	113.8	S144	S144-T148 WeakPolarHBondContact O-CB 3.43Å; S144-T148 WeakPolarHBondContact O-CG2 3.28Å; S144-T148 PolarHBondContact O-N 3.35Å; S144-T148 PolarHBondContact O-OG1 2.65Å
149	M	95.9	Very high	96.3	Very high	90 Å²	90	66.8 Å²	66.8	44%	0.443	33%	0.327	S	S	.	.			trans	-137.9	35	-168.2	-64.1	-167.7	-171.9	0	0	113.1	R145 R151 F152	R145-M149 HydrophobicContact CG-CB 4.14Å; R145-M149 CarbonylContact O-C 3.48Å; R145-M149 VanDerWaalsContact O-C 3.24Å; R145-M149 WeakPolarHBondContact O-CA 2.98Å; R145-M149 WeakPolarHBondContact O-CB 3.02Å; R145-M149 PolarHBondContact O-N 3.32Å; M149-R151 PolarHBondContact O-N 3.27Å; M149-F152 HydrophobicContact CB-CD2 4.18Å; M149-F152 PolarHBondContact O-N 3.46Å
150	R	96.4	Very high	96.5	Very high	108 Å²	108	69.2 Å²	69.2	41%	0.408	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-47.2	-30.4	-174.4	-165.7	166.5	170.6	168.4	1	116.1	Y146 F152 M153 S154	Y146-R150 HydrophobicContact CD2-CG 4.27Å; Y146-R150 HydrophobicContact CE2-CG 3.94Å; Y146-R150 VanDerWaalsContact O-CB 3.27Å; Y146-R150 WeakPolarHBondContact O-CB 3.49Å; Y146-R150 PolarHBondContact OH-NE 3.36Å; Y146-R150 PolarHBondContact OH-NH2 3.44Å; R150-F152 PolarHBondContact O-N 3.23Å; R150-F152 VanDerWaalsContact O-N 3.14Å; R150-M153 PolarHBondContact O-N 3.17Å; R150-S154 PolarHBondContact O-N 3.27Å; R150-S154 VanDerWaalsContact O-N 3.09Å
151	R	97	Very high	96.7	Very high	140 Å²	140	65.7 Å²	65.7	53%	0.528	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58	-25.6	178.6	74.2	173.5	-172.4	90.8	-13.7	113.5	E131 M149	E131-R151 IonicContact OE1-CZ 2.75Å; E131-R151 IonicContact OE1-NH1 2.82Å; E131-R151 PolarHBondContact OE1-NH1 3.08Å; M149-R151 PolarHBondContact O-N 3.27Å
152	F	98.2	Very high	97	Very high	18 Å²	18	68.3 Å²	68.3	8%	0.079	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-94.8	11.2	178.5	-65.7	-72.3	0	0	0	113.7	E131 G132 M149 R150 Y188 C189 S191	E131-F152 HydrophobicContact CG-CE1 4.44Å; G132-F152 WeakPolarHBondContact O-CE1 3.44Å; M149-F152 HydrophobicContact CB-CD2 4.18Å; M149-F152 PolarHBondContact O-N 3.46Å; R150-F152 PolarHBondContact O-N 3.23Å; R150-F152 VanDerWaalsContact O-N 3.14Å; F152-Y188 CarbonylContact C-O 3.24Å; F152-Y188 WeakPolarHBondContact CA-O 3.39Å; F152-Y188 HydrophobicContact CD1-CD1 4.03Å; F152-C189 CarbonylContact O-C 3.5Å; F152-C189 VanDerWaalsContact O-CA 3.25Å; F152-C189 WeakPolarHBondContact O-CA 3.42Å; F152-S191 PolarHBondContact O-OG 3.11Å
153	M	98.4	Very high	97	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-3.9	-178.2	-62	-167	78.1	0	0	112.7	N108 D109 C142 R145 Y146 R150 Y206	N108-M153 HydrophobicContact CB-CB 3.97Å; N108-M153 HydrophobicContact CB-CE 3.75Å; N108-M153 HydrophobicContact CB-CG 4.41Å; N108-M153 PolarHBondContact N-O 3.27Å; N108-M153 WeakPolarHBondContact OD1-CG 3.41Å; D109-M153 PolarHBondContact N-O 3.49Å; D109-M153 VanDerWaalsContact N-O 3.12Å; C142-M153 HydrophobicContact CB-CE 4.09Å; R145-M153 HydrophobicContact CB-SD 3.8Å; R145-M153 HydrophobicContact CG-CG 4.25Å; R145-M153 HydrophobicContact CG-SD 3.61Å; Y146-M153 VanDerWaalsContact CA-SD 3.52Å; Y146-M153 HydrophobicContact CD2-CB 3.89Å; Y146-M153 HydrophobicContact CD2-SD 4.17Å; Y146-M153 HydrophobicContact CE2-CB 4.46Å; Y146-M153 PolarHBondContact N-SD 3.06Å; R150-M153 PolarHBondContact O-N 3.17Å; M153-Y206 HydrophobicContact CE-CD1 3.91Å; M153-Y206 HydrophobicContact CE-CE1 3.8Å; M153-Y206 HydrophobicContact CE-CE2 4.49Å; M153-Y206 HydrophobicContact CE-CG 4.31Å
154	S	98.3	Very high	97	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.021	35%	0.352	C	S	.	.			trans	-154.1	140.1	-171.7	-174.5	0	0	0	0	111.1	D109 R150 S156 W158	D109-S154 WeakPolarHBondContact OD2-CB 3.42Å; D109-S154 PolarHBondContact OD2-OG 3.42Å; R150-S154 PolarHBondContact O-N 3.27Å; R150-S154 VanDerWaalsContact O-N 3.09Å; S154-S156 PolarHBondContact OG-N 2.93Å; S154-S156 PolarHBondContact OG-OG 3.4Å; S154-W158 PolarHBondContact O-NE1 2.56Å
155	S	98.4	Very high	97.1	Very high	5 Å²	5	71.8 Å²	71.8	4%	0.035	34%	0.343	C	S	.	.	S	Bend	trans	-91.9	-3.8	173.4	67.1	0	0	0	0	114	S111 P112 K157 W158	S111-S155 WeakPolarHBondContact CB-OG 3.3Å; S111-S155 PolarHBondContact OG-N 3.36Å; S111-S155 PolarHBondContact OG-OG 2.9Å; P112-S155 VanDerWaalsContact O-CB 3.22Å; P112-S155 WeakPolarHBondContact O-CB 3.23Å; P112-S155 PolarHBondContact O-OG 3.35Å; S155-K157 PolarHBondContact O-N 3.05Å; S155-W158 WeakPolarHBondContact O-CB 3.37Å; S155-W158 PolarHBondContact O-N 2.85Å; S155-W158 VanDerWaalsContact O-N 3.08Å
156	S	97.4	Very high	97.2	Very high	82 Å²	82	71.1 Å²	71.1	57%	0.573	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.7	-171.5	-53.2	0	0	0	0	115.4	S154	S154-S156 PolarHBondContact OG-N 2.93Å; S154-S156 PolarHBondContact OG-OG 3.4Å
157	K	97	Very high	97.2	Very high	181 Å²	181	68.6 Å²	68.6	79%	0.787	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	15.7	-179.9	-65.4	-171.6	177.6	-177.6	0	113.2	S155	S155-K157 PolarHBondContact O-N 3.05Å
158	W	98.4	Very high	97.3	Very high	26 Å²	26	61 Å²	61	10%	0.098	30%	0.296	C	S	.	.			trans	-66.9	131.7	177.8	-74.6	-2.1	0	0	0	111.2	L97 F99 Y116 S154 S155 P187 C189	L97-W158 HydrophobicContact CD1-CE3 3.68Å; L97-W158 HydrophobicContact CD1-CZ3 4.2Å; L97-W158 HydrophobicContact CD2-CB 3.97Å; L97-W158 HydrophobicContact CD2-CE3 4.46Å; F99-W158 HydrophobicContact CE1-CE3 4.34Å; Y116-W158 WeakPolarHBondContact OH-CB 3.2Å; S154-W158 PolarHBondContact O-NE1 2.56Å; S155-W158 WeakPolarHBondContact O-CB 3.37Å; S155-W158 PolarHBondContact O-N 2.85Å; S155-W158 VanDerWaalsContact O-N 3.08Å; W158-P187 HydrophobicContact CD2-CB 4.44Å; W158-P187 HydrophobicContact CD2-CG 4.17Å; W158-P187 HydrophobicContact CE3-CG 4.13Å; W158-P187 HydrophobicContact CH2-CB 3.81Å; W158-P187 HydrophobicContact CH2-CG 3.71Å; W158-P187 HydrophobicContact CZ2-CB 3.42Å; W158-P187 VanDerWaalsContact CZ2-CB 3.42Å; W158-P187 HydrophobicContact CZ2-CG 3.76Å; W158-P187 HydrophobicContact CZ3-CB 4.47Å; W158-P187 HydrophobicContact CZ3-CG 3.9Å; W158-C189 HydrophobicContact CH2-CB 4.46Å; W158-C189 HydrophobicContact CZ2-CB 3.82Å
159	P	97.9	Very high	97.4	Very high	80 Å²	80	56.4 Å²	56.4	52%	0.519	27%	0.267	S	S	.	.			trans	-65.5	153.8	175.3	27.9	-34.7	0	0	0	110.7	Y116 T161	Y116-P159 WeakPolarHBondContact CE1-O 3.42Å; Y116-P159 VanDerWaalsContact CZ-O 3.29Å; Y116-P159 VanDerWaalsContact OH-CD 3.23Å; Y116-P159 WeakPolarHBondContact OH-CD 3.45Å; Y116-P159 WeakPolarHBondContact OH-CG 3.38Å; Y116-P159 PolarHBondContact OH-O 2.9Å; P159-T161 WeakPolarHBondContact CB-O 3.16Å; P159-T161 WeakPolarHBondContact CG-O 3.46Å; P159-T161 PolarHBondContact O-N 3.12Å
160	Q	97.8	Very high	97.3	Very high	131 Å²	131	52.9 Å²	52.9	61%	0.612	25%	0.251	S	S	*	.	S	Bend	trans	-69.4	-24.2	179.9	-65.8	-57.7	-57.1	0	0	113.1	L97	L97-Q160 WeakPolarHBondContact CB-O 3.35Å; L97-Q160 PolarHBondContact N-O 3.5Å
161	T	97.8	Very high	97.1	Very high	59 Å²	59	49.8 Å²	49.8	36%	0.362	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.6	177	66.7	0	0	0	0	111	D94 M95 P159	D94-T161 HydrophobicContact CB-CG2 4.44Å; D94-T161 PolarHBondContact OD2-OG1 3.19Å; M95-T161 CarbonylContact O-C 3.43Å; M95-T161 WeakPolarHBondContact O-CA 3.48Å; P159-T161 WeakPolarHBondContact CB-O 3.16Å; P159-T161 WeakPolarHBondContact CG-O 3.46Å; P159-T161 PolarHBondContact O-N 3.12Å
162	K	96.8	Very high	96.9	Very high	67 Å²	67	45.5 Å²	45.5	29%	0.291	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.1	175.2	-175.9	-179.6	175.2	79.8	0	109.5	M95 Y116 F185	M95-K162 WeakPolarHBondContact CB-O 3.35Å; M95-K162 HydrophobicContact CE-CB 4.34Å; M95-K162 HydrophobicContact CE-CD 4.32Å; M95-K162 HydrophobicContact CE-CG 4.17Å; M95-K162 WeakPolarHBondContact CE-O 3.48Å; M95-K162 PolarHBondContact N-O 2.71Å; M95-K162 PolarHBondContact O-N 3.49Å; Y116-K162 HydrophobicContact CD1-CB 3.47Å; Y116-K162 VanDerWaalsContact CD1-CB 3.47Å; Y116-K162 HydrophobicContact CD2-CB 4.34Å; Y116-K162 HydrophobicContact CD2-CD 4.14Å; Y116-K162 HydrophobicContact CE1-CB 3.63Å; Y116-K162 HydrophobicContact CE2-CB 4.47Å; Y116-K162 HydrophobicContact CE2-CD 4.33Å; Y116-K162 HydrophobicContact CG-CB 3.85Å; Y116-K162 HydrophobicContact CG-CD 4.34Å; K162-F185 HydrophobicContact CD-CB 4.44Å; K162-F185 HydrophobicContact CD-CD1 3.59Å; K162-F185 HydrophobicContact CD-CD2 4.26Å; K162-F185 HydrophobicContact CD-CE1 3.8Å; K162-F185 HydrophobicContact CD-CE2 4.44Å; K162-F185 HydrophobicContact CD-CG 3.84Å; K162-F185 HydrophobicContact CD-CZ 4.23Å; K162-F185 VanDerWaalsContact CE-CE1 3.46Å; K162-F185 VanDerWaalsContact CE-CE2 3.4Å
163	R	96.3	Very high	96.6	Very high	145 Å²	145	50.7 Å²	50.7	55%	0.547	26%	0.257	S	S	.	.			trans	-68.2	130.8	172.1	-177.2	174.3	171	-179.6	-2.8	110.3	D94 E174	D94-R163 WeakPolarHBondContact OD1-CA 3.48Å; D94-R163 WeakPolarHBondContact OD1-CB 3.41Å; R163-E174 IonicContact NH2-OE1 3.9Å; R163-E174 PolarHBondContact NH2-OE1 2.92Å
164	G	96.2	Very high	96.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.01	27%	0.266	C	S	.	.			trans	-79	137.9	169.9	0	0	0	0	0	110.9
165	T	97	Very high	96.2	Very high	43 Å²	43	52.4 Å²	52.4	26%	0.264	27%	0.265	S	S	.	.			trans	-132.6	158.5	179	56.8	0	0	0	0	110.3	I167 L168 T398	T165-I167 PolarHBondContact O-N 2.75Å; T165-L168 WeakPolarHBondContact O-CB 3.39Å; T165-L168 PolarHBondContact O-N 3.35Å; T165-T398 WeakPolarHBondContact CB-O 3.42Å; T165-T398 PolarHBondContact OG1-O 3.49Å
166	G	97.3	Very high	96	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	54.5	-126.6	-176	0	0	0	0	0	111.4	L168 S169 N175	G166-L168 PolarHBondContact O-N 2.87Å; G166-L168 VanDerWaalsContact O-N 3.12Å; G166-S169 WeakPolarHBondContact O-CB 3.23Å; G166-S169 PolarHBondContact O-N 3.36Å; G166-N175 WeakPolarHBondContact O-CB 3.31Å
167	I	98.3	Very high	95.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.2	-18.9	179.2	-155.5	174.5	0	0	0	114.4	L127 T165 N175 M183 L268 I397 W402 L416	L127-I167 HydrophobicContact CD1-CB 4.41Å; L127-I167 HydrophobicContact CD1-CD1 3.84Å; L127-I167 HydrophobicContact CD1-CG1 3.64Å; L127-I167 HydrophobicContact CD1-CG2 4.14Å; T165-I167 PolarHBondContact O-N 2.75Å; I167-N175 PolarHBondContact O-ND2 3.47Å; I167-M183 WeakPolarHBondContact O-CE 3.49Å; I167-L268 HydrophobicContact CD1-CD2 3.53Å; I167-I397 HydrophobicContact CB-CB 4.49Å; I167-I397 WeakPolarHBondContact CB-O 3.3Å; I167-I397 HydrophobicContact CG2-CB 4.11Å; I167-I397 HydrophobicContact CG2-CD1 4.45Å; I167-I397 HydrophobicContact CG2-CG1 4.25Å; I167-I397 WeakPolarHBondContact CG2-O 3.42Å; I167-I397 PolarHBondContact N-O 3.31Å; I167-W402 HydrophobicContact CB-CE3 4.49Å; I167-W402 HydrophobicContact CB-CH2 3.79Å; I167-W402 HydrophobicContact CB-CZ2 4.11Å; I167-W402 HydrophobicContact CB-CZ3 3.99Å; I167-W402 HydrophobicContact CD1-CH2 4.18Å; I167-W402 HydrophobicContact CD1-CZ3 4.14Å; I167-W402 HydrophobicContact CG1-CH2 3.67Å; I167-W402 HydrophobicContact CG1-CZ2 4.33Å; I167-W402 HydrophobicContact CG1-CZ3 4.03Å; I167-L416 HydrophobicContact CD1-CD1 4.03Å
168	L	98.2	Very high	95.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-90.7	-6.4	174.4	-69.4	170.2	0	0	0	112.9	L127 F129 T165 G166 M183 F185 T398	L127-L168 HydrophobicContact CD2-CD2 3.62Å; F129-L168 HydrophobicContact CB-CD1 3.86Å; F129-L168 HydrophobicContact CB-CD2 3.96Å; F129-L168 HydrophobicContact CB-CG 4.26Å; F129-L168 HydrophobicContact CD1-CD1 4.1Å; F129-L168 HydrophobicContact CG-CD1 3.9Å; T165-L168 WeakPolarHBondContact O-CB 3.39Å; T165-L168 PolarHBondContact O-N 3.35Å; G166-L168 PolarHBondContact O-N 2.87Å; G166-L168 VanDerWaalsContact O-N 3.12Å; L168-M183 HydrophobicContact CD2-CB 4.26Å; L168-M183 HydrophobicContact CD2-SD 4.22Å; L168-F185 HydrophobicContact CD1-CB 4.35Å; L168-F185 HydrophobicContact CD1-CD2 3.79Å; L168-T398 HydrophobicContact CD1-CG2 4.06Å
169	S	96.5	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.			trans	-67.5	137.1	-178.4	-172	0	0	0	0	110.7	G166 L171 E174 N175 W179	G166-S169 WeakPolarHBondContact O-CB 3.23Å; G166-S169 PolarHBondContact O-N 3.36Å; S169-L171 PolarHBondContact OG-N 2.95Å; S169-E174 WeakPolarHBondContact CB-OE2 3.41Å; S169-E174 WeakPolarHBondContact OG-CB 3.25Å; S169-E174 PolarHBondContact OG-OE2 3.23Å; S169-N175 WeakPolarHBondContact O-CB 3.32Å; S169-N175 PolarHBondContact O-ND2 3.33Å; S169-W179 WeakPolarHBondContact O-CA 3.29Å
170	P	93.8	Very high	95.5	Very high	15 Å²	15	48.6 Å²	48.6	10%	0.097	24%	0.236	C	C	.	.	S	Bend	trans	-82.8	0.4	172.4	37.1	-37.6	0	0	0	113.2	H93 K118	H93-P170 HydrophobicContact CB-CG 4.09Å; K118-P170 HydrophobicContact CD-CB 4.2Å; K118-P170 HydrophobicContact CD-CG 4.48Å
171	L	92.5	Very high	95.5	Very high	44 Å²	44	42.3 Å²	42.3	23%	0.23	21%	0.207	C	C	.	.			trans	-92.9	124.3	-178.6	-60.2	179.4	0	0	0	109.8	S169 E173 E174 N175	S169-L171 PolarHBondContact OG-N 2.95Å; L171-E173 PolarHBondContact O-N 2.82Å; L171-E174 HydrophobicContact CB-CB 4.38Å; L171-E174 HydrophobicContact CB-CG 4.44Å; L171-E174 PolarHBondContact O-N 2.04Å; L171-E174 VanDerWaalsContact O-N 3.16Å; L171-N175 PolarHBondContact O-N 2.63Å
172	P	92.5	Very high	95.5	Very high	50 Å²	50	39.9 Å²	39.9	33%	0.325	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.6	177.6	-22.9	30.6	0	0	0	114	N175 P176 W179	P172-N175 CarbonylContact O-C 3.59Å; P172-N175 PolarHBondContact O-N 3.12Å; P172-P176 VanDerWaalsContact O-CA 3.27Å; P172-P176 WeakPolarHBondContact O-CA 3.48Å; P172-W179 HydrophobicContact CB-CD2 4.39Å; P172-W179 HydrophobicContact CB-CG 4.17Å; P172-W179 HydrophobicContact CG-CD2 3.69Å; P172-W179 HydrophobicContact CG-CE3 4.1Å; P172-W179 HydrophobicContact CG-CG 3.93Å; P172-W179 HydrophobicContact CG-CZ2 4.25Å
173	E	91.8	Very high	95.6	Very high	127 Å²	127	36.7 Å²	36.7	59%	0.593	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-35.3	-179.1	-56.4	73	-158.5	0	0	111.5	L171	L171-E173 PolarHBondContact O-N 2.82Å
174	E	92.8	Very high	95.8	Very high	38 Å²	38	29.8 Å²	29.8	18%	0.178	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-26.4	174.6	-66.5	-179.1	-173	0	0	111.6	R163 S169 L171 W402	R163-E174 IonicContact NH2-OE1 3.9Å; R163-E174 PolarHBondContact NH2-OE1 2.92Å; S169-E174 WeakPolarHBondContact CB-OE2 3.41Å; S169-E174 WeakPolarHBondContact OG-CB 3.25Å; S169-E174 PolarHBondContact OG-OE2 3.23Å; L171-E174 HydrophobicContact CB-CB 4.38Å; L171-E174 HydrophobicContact CB-CG 4.44Å; L171-E174 PolarHBondContact O-N 2.04Å; L171-E174 VanDerWaalsContact O-N 3.16Å; E174-W402 PolarHBondContact O-NE1 3.05Å
175	N	96.4	Very high	95.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.154	C	C	.	.			trans	-137.5	82.5	-175.5	-175.5	0.2	0	0	0	112.6	G166 I167 S169 L171 P172 H177 W178 W179	G166-N175 WeakPolarHBondContact O-CB 3.31Å; I167-N175 PolarHBondContact O-ND2 3.47Å; S169-N175 WeakPolarHBondContact O-CB 3.32Å; S169-N175 PolarHBondContact O-ND2 3.33Å; L171-N175 PolarHBondContact O-N 2.63Å; P172-N175 CarbonylContact O-C 3.59Å; P172-N175 PolarHBondContact O-N 3.12Å; N175-H177 VanDerWaalsContact C-N 3.28Å; N175-H177 PolarHBondContact O-N 2.99Å; N175-W178 WeakPolarHBondContact OD1-CB 3.29Å; N175-W178 PolarHBondContact OD1-N 3.16Å; N175-W178 VanDerWaalsContact OD1-N 3.09Å; N175-W179 HydrophobicContact CB-CB 4.01Å; N175-W179 VanDerWaalsContact CG-N 3.28Å; N175-W179 WeakPolarHBondContact ND2-CA 3.44Å; N175-W179 PolarHBondContact ND2-N 2.7Å; N175-W179 VanDerWaalsContact ND2-N 3.13Å; N175-W179 VanDerWaalsContact O-CB 3.22Å; N175-W179 WeakPolarHBondContact O-CB 3.29Å; N175-W179 VanDerWaalsContact O-CD1 3.27Å; N175-W179 PolarHBondContact O-N 2.79Å; N175-W179 PolarHBondContact OD1-N 2.79Å
176	P	93.3	Very high	96	Very high	56 Å²	56	28.2 Å²	28.2	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.2	-166.6	-28.1	35.9	0	0	0	115.9	P172 P413	P172-P176 VanDerWaalsContact O-CA 3.27Å; P172-P176 WeakPolarHBondContact O-CA 3.48Å; P176-P413 HydrophobicContact CG-CB 4.39Å
177	H	94	Very high	96.1	Very high	61 Å²	61	28.4 Å²	28.4	28%	0.282	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-31.2	-168.9	-61.2	-64.4	0	0	0	114.2	R125 N175 P413 H417	R125-H177 PolarHBondContact NH1-O 2.82Å; N175-H177 VanDerWaalsContact C-N 3.28Å; N175-H177 PolarHBondContact O-N 2.99Å; H177-P413 PolarHBondContact CD2-O 2.74Å; H177-H417 HydrophobicContact CB-CB 4.47Å; H177-H417 AromaticContact CE1-CD2 3.91Å; H177-H417 AromaticContact CE1-CG 3.62Å; H177-H417 AromaticContact ND1-CG 3.65Å; H177-H417 AromaticContact ND1-ND1 3.71Å; H177-H417 AromaticContact NE2-CG 3.99Å
178	W	96.1	Very high	96.1	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.042	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	1.3	-173.6	-78.9	70.5	0	0	0	114	R125 L127 N175 N180 A181 M183 V231 L233	R125-W178 HydrophobicContact CB-CZ3 4.27Å; L127-W178 HydrophobicContact CB-CE3 4.16Å; L127-W178 HydrophobicContact CB-CZ3 4.26Å; L127-W178 HydrophobicContact CD1-CE3 4.11Å; N175-W178 WeakPolarHBondContact OD1-CB 3.29Å; N175-W178 PolarHBondContact OD1-N 3.16Å; N175-W178 VanDerWaalsContact OD1-N 3.09Å; W178-N180 PolarHBondContact O-N 3.13Å; W178-A181 HydrophobicContact CE3-CB 3.94Å; W178-A181 VanDerWaalsContact O-CB 3.28Å; W178-A181 WeakPolarHBondContact O-CB 3.49Å; W178-A181 PolarHBondContact O-N 2.56Å; W178-M183 WeakPolarHBondContact O-CE 3.43Å; W178-V231 HydrophobicContact CH2-CG1 4.1Å; W178-L233 HydrophobicContact CE3-CD2 4.36Å; W178-L233 HydrophobicContact CH2-CB 3.58Å; W178-L233 HydrophobicContact CH2-CD2 3.78Å; W178-L233 HydrophobicContact CH2-CG 4.28Å; W178-L233 HydrophobicContact CZ2-CB 4.48Å; W178-L233 HydrophobicContact CZ2-CD2 3.95Å; W178-L233 HydrophobicContact CZ3-CB 3.74Å; W178-L233 HydrophobicContact CZ3-CD2 3.99Å
179	W	95.4	Very high	96.1	Very high	102 Å²	102	28.2 Å²	28.2	39%	0.386	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.2	-175	64.6	-89.2	0	0	0	114.9	S169 P172 N175	S169-W179 WeakPolarHBondContact O-CA 3.29Å; P172-W179 HydrophobicContact CB-CD2 4.39Å; P172-W179 HydrophobicContact CB-CG 4.17Å; P172-W179 HydrophobicContact CG-CD2 3.69Å; P172-W179 HydrophobicContact CG-CE3 4.1Å; P172-W179 HydrophobicContact CG-CG 3.93Å; P172-W179 HydrophobicContact CG-CZ2 4.25Å; N175-W179 HydrophobicContact CB-CB 4.01Å; N175-W179 VanDerWaalsContact CG-N 3.28Å; N175-W179 WeakPolarHBondContact ND2-CA 3.44Å; N175-W179 PolarHBondContact ND2-N 2.7Å; N175-W179 VanDerWaalsContact ND2-N 3.13Å; N175-W179 VanDerWaalsContact O-CB 3.22Å; N175-W179 WeakPolarHBondContact O-CB 3.29Å; N175-W179 VanDerWaalsContact O-CD1 3.27Å; N175-W179 PolarHBondContact O-N 2.79Å; N175-W179 PolarHBondContact OD1-N 2.79Å
180	N	95.1	Very high	96.2	Very high	63 Å²	63	28.2 Å²	28.2	34%	0.337	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	17.4	-179.7	-158.4	27	0	0	0	114	S120 S123 W178	S120-N180 WeakPolarHBondContact CB-O 3.29Å; S120-N180 PolarHBondContact OG-O 3.39Å; S120-N180 VanDerWaalsContact OG-O 3.13Å; S120-N180 PolarHBondContact OG-OD1 3.34Å; S123-N180 WeakPolarHBondContact CB-O 2.99Å; S123-N180 PolarHBondContact OG-O 2.96Å; W178-N180 PolarHBondContact O-N 3.13Å
181	A	97.8	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-76	163	171.4	0	0	0	0	0	111.5	R125 W178 M183	R125-A181 HydrophobicContact CB-CB 4.09Å; W178-A181 HydrophobicContact CE3-CB 3.94Å; W178-A181 VanDerWaalsContact O-CB 3.28Å; W178-A181 WeakPolarHBondContact O-CB 3.49Å; W178-A181 PolarHBondContact O-N 2.56Å; A181-M183 HydrophobicContact CB-CE 4.04Å; A181-M183 HydrophobicContact CB-SD 4.08Å; A181-M183 PolarHBondContact O-N 3.22Å
182	N	98.5	Very high	96.7	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.043	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.9	160.7	-61.3	-81.4	0	0	0	107.6	S120 S123 R125 W126 L127	S120-N182 PolarHBondContact N-OD1 2.75Å; S120-N182 PolarHBondContact O-OD1 3.13Å; S123-N182 PolarHBondContact O-ND2 2.89Å; R125-N182 PolarHBondContact O-N 3.48Å; R125-N182 PolarHBondContact O-ND2 3.26Å; R125-N182 VanDerWaalsContact O-ND2 3.11Å; W126-N182 HydrophobicContact CD2-CB 3.47Å; W126-N182 VanDerWaalsContact CD2-CB 3.47Å; W126-N182 HydrophobicContact CE3-CB 3.52Å; W126-N182 HydrophobicContact CG-CB 4.01Å; W126-N182 HydrophobicContact CH2-CB 4.01Å; W126-N182 HydrophobicContact CZ2-CB 3.97Å; W126-N182 HydrophobicContact CZ3-CB 3.78Å; W126-N182 PolarHBondContact NE1-ND2 3Å; L127-N182 PolarHBondContact N-O 2.86Å
183	M	98.6	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.1	-173.8	-58.5	-58.9	-169.6	0	0	110.2	M95 L117 K118 L127 I167 L168 W178 A181	M95-M183 HydrophobicContact CG-CB 4.42Å; M95-M183 HydrophobicContact SD-CB 4.05Å; L117-M183 WeakPolarHBondContact CA-O 3.23Å; K118-M183 HydrophobicContact CB-CB 4.36Å; K118-M183 PolarHBondContact N-O 2.82Å; K118-M183 PolarHBondContact O-N 2.88Å; L127-M183 HydrophobicContact CB-SD 4.12Å; L127-M183 HydrophobicContact CD1-SD 4.43Å; I167-M183 WeakPolarHBondContact O-CE 3.49Å; L168-M183 HydrophobicContact CD2-CB 4.26Å; L168-M183 HydrophobicContact CD2-SD 4.22Å; W178-M183 WeakPolarHBondContact O-CE 3.43Å; A181-M183 HydrophobicContact CB-CE 4.04Å; A181-M183 HydrophobicContact CB-SD 4.08Å; A181-M183 PolarHBondContact O-N 3.22Å
184	V	98.9	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.2	176.3	178.5	0	0	0	0	109.3	Y115 Y116 L117 W126 L127 I128 F129 I186 V217 L221	Y115-V184 HydrophobicContact CD2-CG1 4.05Å; Y115-V184 HydrophobicContact CG-CG1 4.4Å; Y116-V184 CarbonylContact O-C 3.57Å; Y116-V184 VanDerWaalsContact O-CA 3.23Å; Y116-V184 WeakPolarHBondContact O-CA 3.34Å; L117-V184 HydrophobicContact CD1-CG2 3.64Å; W126-V184 HydrophobicContact CE3-CG2 4.12Å; W126-V184 HydrophobicContact CZ3-CG2 4.05Å; L127-V184 PolarHBondContact O-N 3.36Å; I128-V184 HydrophobicContact CB-CB 4.45Å; I128-V184 HydrophobicContact CG1-CB 4.11Å; I128-V184 HydrophobicContact CG1-CG1 4.44Å; I128-V184 HydrophobicContact CG1-CG2 4.46Å; I128-V184 HydrophobicContact CG2-CG1 4.23Å; F129-V184 PolarHBondContact N-O 3.32Å; V184-I186 HydrophobicContact CG1-CG1 4.12Å; V184-V217 HydrophobicContact CG1-CG1 4.27Å; V184-L221 HydrophobicContact CB-CD1 4.49Å; V184-L221 HydrophobicContact CG1-CD1 4.2Å; V184-L221 HydrophobicContact CG2-CD1 3.81Å; V184-L221 HydrophobicContact CG2-CD2 4.05Å
185	F	98.9	Very high	97.6	Very high	11 Å²	11	15.4 Å²	15.4	5%	0.048	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.1	171.3	177	-80.7	0	0	0	108.7	M95 Y115 Y116 F129 E131 K162 L168 P187	M95-F185 HydrophobicContact CE-CB 4.05Å; M95-F185 HydrophobicContact SD-CB 4.04Å; Y115-F185 CarbonylContact C-O 3.59Å; Y115-F185 WeakPolarHBondContact CA-O 3.07Å; Y116-F185 AromaticContact CD2-CD1 3.95Å; Y116-F185 HydrophobicContact CD2-CD1 3.95Å; Y116-F185 PolarHBondContact N-O 3.04Å; Y116-F185 PolarHBondContact O-N 3.42Å; F129-F185 AromaticContact CD1-CD2 3.42Å; F129-F185 HydrophobicContact CD1-CD2 3.42Å; F129-F185 VanDerWaalsContact CD1-CD2 3.42Å; F129-F185 AromaticContact CD1-CE2 3.55Å; F129-F185 HydrophobicContact CD1-CE2 3.55Å; F129-F185 HydrophobicContact CD1-CG 4.41Å; F129-F185 AromaticContact CE1-CD2 3.95Å; F129-F185 HydrophobicContact CE1-CD2 3.95Å; F129-F185 AromaticContact CE1-CE2 3.58Å; F129-F185 HydrophobicContact CE1-CE2 3.58Å; F129-F185 HydrophobicContact CG-CD2 4.38Å; E131-F185 HydrophobicContact CB-CE1 4.27Å; E131-F185 HydrophobicContact CB-CE2 4.2Å; E131-F185 HydrophobicContact CB-CZ 3.65Å; E131-F185 HydrophobicContact CG-CE2 4.36Å; E131-F185 HydrophobicContact CG-CZ 3.69Å; K162-F185 HydrophobicContact CD-CB 4.44Å; K162-F185 HydrophobicContact CD-CD1 3.59Å; K162-F185 HydrophobicContact CD-CD2 4.26Å; K162-F185 HydrophobicContact CD-CE1 3.8Å; K162-F185 HydrophobicContact CD-CE2 4.44Å; K162-F185 HydrophobicContact CD-CG 3.84Å; K162-F185 HydrophobicContact CD-CZ 4.23Å; K162-F185 VanDerWaalsContact CE-CE1 3.46Å; K162-F185 VanDerWaalsContact CE-CE2 3.4Å; L168-F185 HydrophobicContact CD1-CB 4.35Å; L168-F185 HydrophobicContact CD1-CD2 3.79Å; F185-P187 HydrophobicContact CD1-CB 4.47Å; F185-P187 HydrophobicContact CD1-CG 3.96Å; F185-P187 HydrophobicContact CE1-CB 3.88Å; F185-P187 HydrophobicContact CE1-CG 3.83Å; F185-P187 WeakPolarHBondContact O-CD 3.07Å
186	I	98.9	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.4	175.1	-46.3	-177.1	0	0	0	107.6	I128 F129 L130 E131 V184 W194 I213 V217	I128-I186 HydrophobicContact CG2-CD1 3.44Å; I128-I186 VanDerWaalsContact CG2-CD1 3.44Å; I128-I186 HydrophobicContact CG2-CG1 3.89Å; F129-I186 PolarHBondContact O-N 3.48Å; L130-I186 HydrophobicContact CD2-CB 4.32Å; L130-I186 HydrophobicContact CD2-CD1 3.85Å; L130-I186 HydrophobicContact CD2-CG1 4.39Å; E131-I186 PolarHBondContact N-O 3.38Å; V184-I186 HydrophobicContact CG1-CG1 4.12Å; I186-W194 HydrophobicContact CB-CH2 3.9Å; I186-W194 HydrophobicContact CB-CZ3 4.44Å; I186-W194 HydrophobicContact CG2-CH2 3.51Å; I186-W194 HydrophobicContact CG2-CZ3 3.78Å; I186-I213 HydrophobicContact CG2-CG2 3.84Å; I186-V217 HydrophobicContact CD1-CB 3.83Å; I186-V217 HydrophobicContact CD1-CG1 3.67Å; I186-V217 HydrophobicContact CD1-CG2 3.88Å; I186-V217 HydrophobicContact CG1-CG1 4.13Å; I186-V217 HydrophobicContact CG1-CG2 4.31Å; I186-V217 HydrophobicContact CG2-CG2 4.23Å
187	P	98.8	Very high	97.9	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.032	7%	0.073	C	C	.	.			trans	-67.6	143.2	178.1	-12.5	27.1	0	0	0	110.8	G114 Y116 E131 W158 F185 C189	G114-P187 WeakPolarHBondContact O-CD 3.36Å; Y116-P187 HydrophobicContact CD2-CG 3.87Å; Y116-P187 HydrophobicContact CE2-CG 3.62Å; E131-P187 VanDerWaalsContact OE2-CA 3.29Å; E131-P187 WeakPolarHBondContact OE2-CA 3.39Å; W158-P187 HydrophobicContact CD2-CB 4.44Å; W158-P187 HydrophobicContact CD2-CG 4.17Å; W158-P187 HydrophobicContact CE3-CG 4.13Å; W158-P187 HydrophobicContact CH2-CB 3.81Å; W158-P187 HydrophobicContact CH2-CG 3.71Å; W158-P187 HydrophobicContact CZ2-CB 3.42Å; W158-P187 VanDerWaalsContact CZ2-CB 3.42Å; W158-P187 HydrophobicContact CZ2-CG 3.76Å; W158-P187 HydrophobicContact CZ3-CB 4.47Å; W158-P187 HydrophobicContact CZ3-CG 3.9Å; F185-P187 HydrophobicContact CD1-CB 4.47Å; F185-P187 HydrophobicContact CD1-CG 3.96Å; F185-P187 HydrophobicContact CE1-CB 3.88Å; F185-P187 HydrophobicContact CE1-CG 3.83Å; F185-P187 WeakPolarHBondContact O-CD 3.07Å; P187-C189 PolarHBondContact O-N 2.63Å
188	Y	98.9	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.			trans	-85.8	103.4	-177.7	177	-127.2	0	0	0	109.9	E131 G132 W134 F152 S190 S191 D192 V193 W194	E131-Y188 WeakPolarHBondContact O-CB 3.43Å; E131-Y188 PolarHBondContact OE2-N 2.97Å; G132-Y188 VanDerWaalsContact O-CD1 3.31Å; G132-Y188 WeakPolarHBondContact O-CD1 3Å; W134-Y188 WeakPolarHBondContact O-CE1 3.45Å; W134-Y188 PolarHBondContact O-OH 2.68Å; F152-Y188 CarbonylContact C-O 3.24Å; F152-Y188 WeakPolarHBondContact CA-O 3.39Å; F152-Y188 HydrophobicContact CD1-CD1 4.03Å; Y188-S190 WeakPolarHBondContact CE2-OG 3.24Å; Y188-S191 VanDerWaalsContact CZ-CA 3.42Å; Y188-S191 WeakPolarHBondContact OH-CA 3.4Å; Y188-D192 PolarHBondContact OH-N 2.84Å; Y188-V193 PolarHBondContact OH-N 2.96Å; Y188-W194 HydrophobicContact CD2-CD2 4.25Å; Y188-W194 AromaticContact CD2-CE2 3.63Å; Y188-W194 AromaticContact CD2-CZ2 3.84Å; Y188-W194 HydrophobicContact CD2-CZ2 3.84Å; Y188-W194 AromaticContact CD2-NE1 3.6Å; Y188-W194 HydrophobicContact CG-CZ2 4.24Å
189	C	98.8	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.			trans	-122.9	15.1	179.7	69.5	0	0	0	0	114.8	C107 N108 F152 W158 P187	C107-C189 WeakPolarHBondContact CA-O 3.49Å; C107-C189 WeakPolarHBondContact CA-SG 3.3Å; C107-C189 HydrophobicContact CB-CB 3.52Å; C107-C189 WeakPolarHBondContact CB-SG 3.4Å; C107-C189 WeakPolarHBondContact SG-CB 3.38Å; C107-C189 CovalentContact SG-SG 2.04Å; C107-C189 PolarHBondContact SG-SG 3.12Å; N108-C189 VanDerWaalsContact CG-O 3.3Å; N108-C189 PolarHBondContact N-O 3.25Å; N108-C189 PolarHBondContact OD1-O 2.91Å; F152-C189 CarbonylContact O-C 3.5Å; F152-C189 VanDerWaalsContact O-CA 3.25Å; F152-C189 WeakPolarHBondContact O-CA 3.42Å; W158-C189 HydrophobicContact CH2-CB 4.46Å; W158-C189 HydrophobicContact CZ2-CB 3.82Å; P187-C189 PolarHBondContact O-N 2.63Å
190	S	98.7	Very high	97.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	9%	0.092	C	C	.	.	S	Bend	trans	-110.9	-13.4	-173.7	59.8	0	0	0	0	114	N108 Y188 D192 F208 G210	N108-S190 PolarHBondContact ND2-O 3.3Å; N108-S190 VanDerWaalsContact OD1-C 3.25Å; Y188-S190 WeakPolarHBondContact CE2-OG 3.24Å; S190-D192 WeakPolarHBondContact CB-OD1 3.49Å; S190-D192 PolarHBondContact O-N 2.99Å; S190-D192 PolarHBondContact OG-OD1 3.24Å; S190-F208 VanDerWaalsContact O-CD1 3.28Å; S190-F208 WeakPolarHBondContact O-CD1 3.34Å; S190-G210 WeakPolarHBondContact OG-CA 3.45Å
191	S	98.5	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	53.7	20.1	174.6	-54.8	0	0	0	0	116.1	N108 Y135 C136 R145 F152 Y188	N108-S191 VanDerWaalsContact OD1-CB 3.31Å; N108-S191 WeakPolarHBondContact OD1-CB 3.37Å; N108-S191 PolarHBondContact OD1-N 3.46Å; N108-S191 PolarHBondContact OD1-OG 3.4Å; Y135-S191 WeakPolarHBondContact CA-O 3.48Å; Y135-S191 VanDerWaalsContact CB-O 3.25Å; Y135-S191 WeakPolarHBondContact CB-O 3.46Å; C136-S191 PolarHBondContact N-O 2.89Å; R145-S191 PolarHBondContact NE-OG 3.03Å; F152-S191 PolarHBondContact O-OG 3.11Å; Y188-S191 VanDerWaalsContact CZ-CA 3.42Å; Y188-S191 WeakPolarHBondContact OH-CA 3.4Å
192	D	98.4	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-123.7	18.4	-170.1	59.8	4.8	0	0	0	113.6	Y188 S190 W194 S195 G196 F208 M209 G210 W304	Y188-D192 PolarHBondContact OH-N 2.84Å; S190-D192 WeakPolarHBondContact CB-OD1 3.49Å; S190-D192 PolarHBondContact O-N 2.99Å; S190-D192 PolarHBondContact OG-OD1 3.24Å; D192-W194 PolarHBondContact O-N 2.98Å; D192-W194 VanDerWaalsContact O-N 3.11Å; D192-W194 WeakPolarHBondContact OD1-CA 3.36Å; D192-W194 PolarHBondContact OD1-N 3.21Å; D192-S195 WeakPolarHBondContact O-CB 3Å; D192-S195 PolarHBondContact O-N 3.42Å; D192-S195 PolarHBondContact O-OG 3.24Å; D192-G196 VanDerWaalsContact OD2-CA 3.28Å; D192-G196 WeakPolarHBondContact OD2-CA 3.06Å; D192-G196 PolarHBondContact OD2-N 3.19Å; D192-G196 VanDerWaalsContact OD2-N 3.13Å; D192-F208 HydrophobicContact CB-CB 4.09Å; D192-F208 HydrophobicContact CB-CD1 4.02Å; D192-F208 HydrophobicContact CB-CG 4.5Å; D192-M209 PolarHBondContact OD2-N 2.83Å; D192-G210 WeakPolarHBondContact OD2-CA 3.44Å; D192-G210 PolarHBondContact OD2-N 3.21Å; D192-W304 HydrophobicContact CB-CB 3.96Å; D192-W304 HydrophobicContact CB-CD2 3.81Å; D192-W304 HydrophobicContact CB-CE3 4.26Å; D192-W304 HydrophobicContact CB-CG 3.65Å
193	V	98.6	Very high	93.5	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.024	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	33.5	-177.8	-157.9	0	0	0	0	111.8	Y135 Y188 S195 A239 T242 W304 F324	Y135-V193 HydrophobicContact CD1-CG2 3.48Å; Y135-V193 VanDerWaalsContact CD1-CG2 3.48Å; Y135-V193 HydrophobicContact CE1-CG2 4.3Å; Y135-V193 HydrophobicContact CG-CG2 4.06Å; Y188-V193 PolarHBondContact OH-N 2.96Å; V193-S195 PolarHBondContact O-N 3.32Å; V193-A239 HydrophobicContact CG1-CB 4.14Å; V193-A239 WeakPolarHBondContact CG1-O 3.25Å; V193-T242 HydrophobicContact CG1-CG2 3.8Å; V193-W304 HydrophobicContact CG2-CH2 3.95Å; V193-W304 HydrophobicContact CG2-CZ3 4.02Å; V193-F324 HydrophobicContact CB-CD1 4.41Å; V193-F324 HydrophobicContact CB-CE1 4.06Å; V193-F324 HydrophobicContact CG1-CD1 4.45Å; V193-F324 HydrophobicContact CG2-CE1 4.43Å
194	W	98.9	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	22.3	-178.8	-56.2	92.6	0	0	0	114.8	L130 E131 I186 Y188 D192 S211 I213 I214 N247	L130-W194 HydrophobicContact CB-CD2 4.42Å; L130-W194 HydrophobicContact CB-CZ2 4Å; L130-W194 HydrophobicContact CD1-CD2 4.38Å; L130-W194 HydrophobicContact CD1-CG 4.32Å; L130-W194 HydrophobicContact CD2-CD2 4.32Å; L130-W194 HydrophobicContact CD2-CE3 4.25Å; L130-W194 HydrophobicContact CD2-CH2 4.2Å; L130-W194 HydrophobicContact CD2-CZ2 4.26Å; L130-W194 HydrophobicContact CD2-CZ3 4.2Å; E131-W194 PolarHBondContact O-NE1 3.09Å; I186-W194 HydrophobicContact CB-CH2 3.9Å; I186-W194 HydrophobicContact CB-CZ3 4.44Å; I186-W194 HydrophobicContact CG2-CH2 3.51Å; I186-W194 HydrophobicContact CG2-CZ3 3.78Å; Y188-W194 HydrophobicContact CD2-CD2 4.25Å; Y188-W194 AromaticContact CD2-CE2 3.63Å; Y188-W194 AromaticContact CD2-CZ2 3.84Å; Y188-W194 HydrophobicContact CD2-CZ2 3.84Å; Y188-W194 AromaticContact CD2-NE1 3.6Å; Y188-W194 HydrophobicContact CG-CZ2 4.24Å; D192-W194 PolarHBondContact O-N 2.98Å; D192-W194 VanDerWaalsContact O-N 3.11Å; D192-W194 WeakPolarHBondContact OD1-CA 3.36Å; D192-W194 PolarHBondContact OD1-N 3.21Å; W194-S211 WeakPolarHBondContact O-CA 3.25Å; W194-S211 PolarHBondContact O-N 2.95Å; W194-I213 HydrophobicContact CZ3-CB 4.46Å; W194-I213 HydrophobicContact CZ3-CG2 4.03Å; W194-I214 HydrophobicContact CB-CD1 3.86Å; W194-I214 HydrophobicContact CD2-CD1 4.08Å; W194-I214 HydrophobicContact CD2-CG1 4.47Å; W194-I214 HydrophobicContact CE3-CD1 3.65Å; W194-I214 HydrophobicContact CE3-CG1 3.6Å; W194-I214 HydrophobicContact CG-CD1 4.22Å; W194-I214 HydrophobicContact CZ3-CD1 4.48Å; W194-I214 HydrophobicContact CZ3-CG1 3.99Å; W194-N247 PolarHBondContact O-ND2 2.91Å
195	S	98.7	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.			trans	-104.8	-22.8	-173.7	72.2	0	0	0	0	114.5	D192 V193 S306 V307 F324	D192-S195 WeakPolarHBondContact O-CB 3Å; D192-S195 PolarHBondContact O-N 3.42Å; D192-S195 PolarHBondContact O-OG 3.24Å; V193-S195 PolarHBondContact O-N 3.32Å; S195-S306 WeakPolarHBondContact O-CA 3.35Å; S195-S306 WeakPolarHBondContact OG-CB 3.38Å; S195-S306 PolarHBondContact OG-OG 3.35Å; S195-V307 WeakPolarHBondContact O-CG2 3.3Å; S195-V307 PolarHBondContact O-N 3.19Å; S195-F324 WeakPolarHBondContact OG-CZ 3.1Å
196	G	98.1	Very high	91.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.3	151	-169.4	0	0	0	0	0	114.2	D192 F208 M209 G210 S211	D192-G196 VanDerWaalsContact OD2-CA 3.28Å; D192-G196 WeakPolarHBondContact OD2-CA 3.06Å; D192-G196 PolarHBondContact OD2-N 3.19Å; D192-G196 VanDerWaalsContact OD2-N 3.13Å; G196-F208 CarbonylContact C-O 2.95Å; G196-F208 VanDerWaalsContact CA-O 3.25Å; G196-F208 WeakPolarHBondContact CA-O 3.27Å; G196-M209 CarbonylContact O-C 3.58Å; G196-M209 VanDerWaalsContact O-C 3.27Å; G196-M209 WeakPolarHBondContact O-CA 3.43Å; G196-G210 PolarHBondContact O-N 2.88Å; G196-S211 PolarHBondContact O-N 3.17Å; G196-S211 VanDerWaalsContact O-N 3.12Å
197	V	97.3	Very high	91	Very high	53 Å²	53	37.7 Å²	37.7	32%	0.321	20%	0.201	S	C	.	.			trans	-130.7	14.8	170.9	-59.9	0	0	0	0	113.1	F208 L212 G305 V307	V197-F208 CarbonylContact C-O 3.5Å; V197-F208 PolarHBondContact N-O 2.9Å; V197-L212 HydrophobicContact CB-CD1 4.03Å; V197-L212 HydrophobicContact CB-CD2 4.35Å; V197-L212 HydrophobicContact CB-CG 4.06Å; V197-L212 HydrophobicContact CG1-CD1 4.44Å; V197-L212 HydrophobicContact CG1-CD2 3.99Å; V197-L212 HydrophobicContact CG1-CG 3.92Å; V197-G305 WeakPolarHBondContact CG2-O 3.42Å; V197-G305 PolarHBondContact N-O 3.17Å; V197-V307 HydrophobicContact CG1-CG1 4.02Å; V197-V307 HydrophobicContact CG1-CG2 3.65Å; V197-V307 HydrophobicContact CG2-CG1 4.01Å
198	T	94.8	Very high	91	Very high	33 Å²	33	37.4 Å²	37.4	20%	0.202	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-92.4	123.2	-174.2	-55.9	0	0	0	0	111.3	F208 M209 W304 G305	T198-F208 PolarHBondContact N-O 3.11Å; T198-F208 CarbonylContact O-C 3.49Å; T198-F208 PolarHBondContact O-N 3.05Å; T198-M209 WeakPolarHBondContact O-CG 3.29Å; T198-W304 WeakPolarHBondContact CB-O 3.4Å; T198-W304 PolarHBondContact OG1-O 2.93Å; T198-G305 WeakPolarHBondContact OG1-CA 3.45Å; T198-G305 PolarHBondContact OG1-N 2.99Å
199	A	93	Very high	91	Very high	53 Å²	53	38 Å²	38	44%	0.438	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-72.8	161	171.5	0	0	0	0	0	111.6	T201 M209	A199-T201 PolarHBondContact O-N 3.17Å; A199-M209 HydrophobicContact CB-CE 4.3Å
200	K	87.1	Confident	91	Very high	112 Å²	112	38 Å²	38	49%	0.487	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-61.2	127.1	176.3	-171.9	176.2	-176.3	177.8	0	110.4	D109 G205 A207	D109-K200 PolarHBondContact O-NZ 3.27Å; K200-G205 WeakPolarHBondContact CE-O 3.48Å; K200-A207 HydrophobicContact CB-CB 4Å
201	T	76.9	Confident	91	Very high	53 Å²	53	37.9 Å²	37.9	33%	0.325	20%	0.202	S	C	.	.			trans	-118.4	158.4	171.5	66.8	0	0	0	0	110.4	A199 Q203 N204 G205	A199-T201 PolarHBondContact O-N 3.17Å; T201-Q203 PolarHBondContact O-N 3.07Å; T201-N204 PolarHBondContact O-N 2.82Å; T201-N204 WeakPolarHBondContact OG1-CB 3.48Å; T201-N204 PolarHBondContact OG1-N 2.89Å; T201-N204 VanDerWaalsContact OG1-N 3.08Å; T201-G205 PolarHBondContact O-N 3.34Å
202	E	69.6	Low	91	Very high	206 Å²	206	40.1 Å²	40.1	96%	0.963	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28	173.5	-65.6	-172.6	170.3	0	0	112.2
203	Q	62.9	Low	91	Very high	181 Å²	181	40.1 Å²	40.1	85%	0.846	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-38.4	-179.2	-73.3	157.9	-17	0	0	113.3	T201	T201-Q203 PolarHBondContact O-N 3.07Å
204	N	63.8	Low	91	Very high	50 Å²	50	40 Å²	40	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.4	-175.6	-67.5	-13.9	0	0	0	113.4	T201 Y206 Y303	T201-N204 PolarHBondContact O-N 2.82Å; T201-N204 WeakPolarHBondContact OG1-CB 3.48Å; T201-N204 PolarHBondContact OG1-N 2.89Å; T201-N204 VanDerWaalsContact OG1-N 3.08Å; N204-Y206 PolarHBondContact O-N 3.47Å; N204-Y303 PolarHBondContact O-OH 2.82Å
205	G	85.8	Confident	91	Very high	23 Å²	23	41.9 Å²	41.9	24%	0.237	22%	0.221	C	C	.	.	S	Bend	trans	70.4	-22.4	176.8	0	0	0	0	0	115.9	K200 T201	K200-G205 WeakPolarHBondContact CE-O 3.48Å; T201-G205 PolarHBondContact O-N 3.34Å
206	Y	96.4	Very high	91	Very high	17 Å²	17	43.2 Å²	43.2	7%	0.067	23%	0.227	C	C	.	.	S	Bend	trans	-133.9	152.2	-178.6	-64.4	-72	0	0	0	112.1	N108 K139 C142 D143 Y146 M153 N204	N108-Y206 HydrophobicContact CB-CD1 3.88Å; N108-Y206 HydrophobicContact CB-CG 4.44Å; N108-Y206 CarbonylContact O-C 3.46Å; N108-Y206 VanDerWaalsContact O-CA 3.3Å; N108-Y206 WeakPolarHBondContact O-CA 3.31Å; K139-Y206 HydrophobicContact CD-CD2 4.38Å; K139-Y206 HydrophobicContact CD-CE2 4.14Å; C142-Y206 HydrophobicContact CB-CD2 3.72Å; C142-Y206 HydrophobicContact CB-CE2 3.53Å; D143-Y206 WeakPolarHBondContact OD1-CE2 3.43Å; D143-Y206 PolarHBondContact OD1-OH 2.66Å; Y146-Y206 WeakPolarHBondContact CB-OH 3.47Å; Y146-Y206 HydrophobicContact CD2-CE1 4.13Å; Y146-Y206 HydrophobicContact CG-CE1 4.32Å; M153-Y206 HydrophobicContact CE-CD1 3.91Å; M153-Y206 HydrophobicContact CE-CE1 3.8Å; M153-Y206 HydrophobicContact CE-CE2 4.49Å; M153-Y206 HydrophobicContact CE-CG 4.31Å; N204-Y206 PolarHBondContact O-N 3.47Å
207	A	97.8	Very high	91.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.			trans	-87	147.6	165.7	0	0	0	0	0	110.6	T106 N108 K200 M209	T106-A207 WeakPolarHBondContact OG1-CB 3.5Å; N108-A207 VanDerWaalsContact CA-O 3.31Å; N108-A207 WeakPolarHBondContact CA-O 3.42Å; N108-A207 PolarHBondContact ND2-O 2.95Å; N108-A207 PolarHBondContact O-N 3.43Å; K200-A207 HydrophobicContact CB-CB 4Å; A207-M209 HydrophobicContact CB-CG 4.06Å; A207-M209 HydrophobicContact CB-SD 4.12Å
208	F	98.3	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-131.1	91	173	-61.7	-76.7	0	0	0	107.7	S190 D192 G196 V197 T198 Y303 W304	S190-F208 VanDerWaalsContact O-CD1 3.28Å; S190-F208 WeakPolarHBondContact O-CD1 3.34Å; D192-F208 HydrophobicContact CB-CB 4.09Å; D192-F208 HydrophobicContact CB-CD1 4.02Å; D192-F208 HydrophobicContact CB-CG 4.5Å; G196-F208 CarbonylContact C-O 2.95Å; G196-F208 VanDerWaalsContact CA-O 3.25Å; G196-F208 WeakPolarHBondContact CA-O 3.27Å; V197-F208 CarbonylContact C-O 3.5Å; V197-F208 PolarHBondContact N-O 2.9Å; T198-F208 PolarHBondContact N-O 3.11Å; T198-F208 CarbonylContact O-C 3.49Å; T198-F208 PolarHBondContact O-N 3.05Å; F208-Y303 HydrophobicContact CE1-CD1 4.44Å; F208-Y303 HydrophobicContact CE1-CE1 4.29Å; F208-Y303 AromaticContact CE2-CD1 3.84Å; F208-Y303 HydrophobicContact CE2-CD1 3.84Å; F208-Y303 AromaticContact CE2-CE1 3.6Å; F208-Y303 HydrophobicContact CE2-CE1 3.6Å; F208-Y303 HydrophobicContact CE2-CG 4.41Å; F208-Y303 AromaticContact CE2-CZ 3.95Å; F208-Y303 AromaticContact CZ-CD1 3.67Å; F208-Y303 HydrophobicContact CZ-CD1 3.67Å; F208-Y303 AromaticContact CZ-CE1 3.27Å; F208-Y303 HydrophobicContact CZ-CE1 3.27Å; F208-Y303 AromaticContact CZ-CZ 3.96Å; F208-W304 HydrophobicContact CB-CB 3.93Å; F208-W304 HydrophobicContact CB-CG 4.39Å; F208-W304 AromaticContact CD1-CD1 3.3Å; F208-W304 HydrophobicContact CD1-CG 4.12Å; F208-W304 AromaticContact CD1-NE1 3.93Å; F208-W304 AromaticContact CE1-CD1 3.53Å; F208-W304 AromaticContact CE1-NE1 3.82Å; F208-W304 HydrophobicContact CG-CB 4.15Å; F208-W304 AromaticContact CG-CD1 3.59Å; F208-W304 HydrophobicContact CG-CG 4.19Å
209	M	98.6	Very high	91.3	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.054	22%	0.217	C	C	.	.			trans	-124.4	21.7	-166.9	-57.6	-175	91.4	0	0	112.9	S104 V105 T106 D192 G196 T198 A199 A207 S211 L212 I213	S104-M209 WeakPolarHBondContact O-CE 3.34Å; V105-M209 HydrophobicContact CG2-CE 4.39Å; T106-M209 PolarHBondContact N-SD 3.01Å; D192-M209 PolarHBondContact OD2-N 2.83Å; G196-M209 CarbonylContact O-C 3.58Å; G196-M209 VanDerWaalsContact O-C 3.27Å; G196-M209 WeakPolarHBondContact O-CA 3.43Å; T198-M209 WeakPolarHBondContact O-CG 3.29Å; A199-M209 HydrophobicContact CB-CE 4.3Å; A207-M209 HydrophobicContact CB-CG 4.06Å; A207-M209 HydrophobicContact CB-SD 4.12Å; M209-S211 VanDerWaalsContact C-N 3.3Å; M209-S211 PolarHBondContact O-N 3.48Å; M209-L212 HydrophobicContact CB-CB 4.34Å; M209-L212 HydrophobicContact CB-CD1 4.47Å; M209-L212 HydrophobicContact CE-CD1 3.57Å; M209-L212 CarbonylContact O-C 3.57Å; M209-L212 WeakPolarHBondContact O-CA 3.43Å; M209-L212 PolarHBondContact O-N 3.01Å; M209-I213 HydrophobicContact CB-CG1 4.45Å; M209-I213 VanDerWaalsContact O-CG1 3.3Å; M209-I213 WeakPolarHBondContact O-CG1 3.38Å; M209-I213 PolarHBondContact O-N 3.27Å
210	G	98.8	Very high	91.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-53.9	-42.3	-173.5	0	0	0	0	0	113.8	S190 D192 G196 I213 I214	S190-G210 WeakPolarHBondContact OG-CA 3.45Å; D192-G210 WeakPolarHBondContact OD2-CA 3.44Å; D192-G210 PolarHBondContact OD2-N 3.21Å; G196-G210 PolarHBondContact O-N 2.88Å; G210-I213 PolarHBondContact O-N 3.08Å; G210-I214 WeakPolarHBondContact O-CG1 3.37Å; G210-I214 PolarHBondContact O-N 2.91Å
211	S	98.7	Very high	92.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.3	-36.2	177.7	-169.2	0	0	0	0	112.3	W194 G196 M209 Q215 N247 R250	W194-S211 WeakPolarHBondContact O-CA 3.25Å; W194-S211 PolarHBondContact O-N 2.95Å; G196-S211 PolarHBondContact O-N 3.17Å; G196-S211 VanDerWaalsContact O-N 3.12Å; M209-S211 VanDerWaalsContact C-N 3.3Å; M209-S211 PolarHBondContact O-N 3.48Å; S211-Q215 WeakPolarHBondContact O-CG 3.17Å; S211-Q215 PolarHBondContact O-N 3.38Å; S211-N247 PolarHBondContact OG-OD1 2.92Å; S211-R250 PolarHBondContact OG-NH1 2.83Å
212	L	98.8	Very high	93.1	Very high	46 Å²	46	34.1 Å²	34.1	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-36.2	176.5	-60.2	177.8	0	0	0	112	V105 V197 M209 I214 Q215 E216	V105-L212 HydrophobicContact CG1-CB 4.17Å; V105-L212 HydrophobicContact CG2-CB 4.37Å; V197-L212 HydrophobicContact CB-CD1 4.03Å; V197-L212 HydrophobicContact CB-CD2 4.35Å; V197-L212 HydrophobicContact CB-CG 4.06Å; V197-L212 HydrophobicContact CG1-CD1 4.44Å; V197-L212 HydrophobicContact CG1-CD2 3.99Å; V197-L212 HydrophobicContact CG1-CG 3.92Å; M209-L212 HydrophobicContact CB-CB 4.34Å; M209-L212 HydrophobicContact CB-CD1 4.47Å; M209-L212 HydrophobicContact CE-CD1 3.57Å; M209-L212 CarbonylContact O-C 3.57Å; M209-L212 WeakPolarHBondContact O-CA 3.43Å; M209-L212 PolarHBondContact O-N 3.01Å; L212-I214 VanDerWaalsContact C-N 3.34Å; L212-I214 PolarHBondContact O-N 3.46Å; L212-Q215 PolarHBondContact O-N 3.24Å; L212-E216 PolarHBondContact O-N 3.1Å
213	I	98.9	Very high	94.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-49.2	174.7	-69.6	166.2	0	0	0	109.3	V105 A113 I186 W194 M209 G210 Q215 E216 V217	V105-I213 HydrophobicContact CG1-CB 4.3Å; V105-I213 HydrophobicContact CG1-CG1 3.56Å; A113-I213 HydrophobicContact CB-CD1 3.77Å; A113-I213 HydrophobicContact CB-CG1 3.7Å; A113-I213 HydrophobicContact CB-CG2 4.2Å; I186-I213 HydrophobicContact CG2-CG2 3.84Å; W194-I213 HydrophobicContact CZ3-CB 4.46Å; W194-I213 HydrophobicContact CZ3-CG2 4.03Å; M209-I213 HydrophobicContact CB-CG1 4.45Å; M209-I213 VanDerWaalsContact O-CG1 3.3Å; M209-I213 WeakPolarHBondContact O-CG1 3.38Å; M209-I213 PolarHBondContact O-N 3.27Å; G210-I213 PolarHBondContact O-N 3.08Å; I213-Q215 VanDerWaalsContact C-N 3.34Å; I213-Q215 PolarHBondContact O-N 2.66Å; I213-E216 PolarHBondContact O-N 3.41Å; I213-V217 HydrophobicContact CG2-CG2 4.32Å; I213-V217 VanDerWaalsContact O-CG2 3.3Å; I213-V217 WeakPolarHBondContact O-CG2 3.25Å; I213-V217 PolarHBondContact O-N 2.85Å
214	I	98.9	Very high	95.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-48.4	178.7	-65.4	169.4	0	0	0	110.7	L130 W194 G210 L212 E216 V217 V218 N247 V251	L130-I214 HydrophobicContact CD1-CD1 3.71Å; L130-I214 HydrophobicContact CD2-CD1 3.92Å; L130-I214 HydrophobicContact CD2-CG1 3.82Å; L130-I214 HydrophobicContact CG-CD1 4.49Å; W194-I214 HydrophobicContact CB-CD1 3.86Å; W194-I214 HydrophobicContact CD2-CD1 4.08Å; W194-I214 HydrophobicContact CD2-CG1 4.47Å; W194-I214 HydrophobicContact CE3-CD1 3.65Å; W194-I214 HydrophobicContact CE3-CG1 3.6Å; W194-I214 HydrophobicContact CG-CD1 4.22Å; W194-I214 HydrophobicContact CZ3-CD1 4.48Å; W194-I214 HydrophobicContact CZ3-CG1 3.99Å; G210-I214 WeakPolarHBondContact O-CG1 3.37Å; G210-I214 PolarHBondContact O-N 2.91Å; L212-I214 VanDerWaalsContact C-N 3.34Å; L212-I214 PolarHBondContact O-N 3.46Å; I214-E216 PolarHBondContact O-N 3.14Å; I214-V217 PolarHBondContact O-N 3.47Å; I214-V218 WeakPolarHBondContact O-CG2 3.18Å; I214-V218 PolarHBondContact O-N 2.97Å; I214-N247 HydrophobicContact CD1-CB 3.9Å; I214-V251 HydrophobicContact CG2-CG2 3.61Å
215	Q	98.7	Very high	97.5	Very high	40 Å²	40	21.7 Å²	21.7	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-44.9	-179.9	-69.2	178.2	56.3	0	0	112.1	S211 L212 I213 V218 K219 L254	S211-Q215 WeakPolarHBondContact O-CG 3.17Å; S211-Q215 PolarHBondContact O-N 3.38Å; L212-Q215 PolarHBondContact O-N 3.24Å; I213-Q215 VanDerWaalsContact C-N 3.34Å; I213-Q215 PolarHBondContact O-N 2.66Å; Q215-V218 PolarHBondContact O-N 2.93Å; Q215-K219 WeakPolarHBondContact O-CG 3.45Å; Q215-K219 PolarHBondContact O-N 3.14Å; Q215-L254 HydrophobicContact CB-CD2 3.95Å; Q215-L254 HydrophobicContact CG-CD2 4.1Å
216	E	98.7	Very high	98	Very high	27 Å²	27	20.6 Å²	20.6	13%	0.126	12%	0.123	C	C	.	.	H	α-helix	trans	-70	-34.6	179.4	-78.5	-50.7	144.1	0	0	113.3	L100 N102 V105 L212 I213 I214 K219 N220	L100-E216 HydrophobicContact CD1-CB 3.89Å; L100-E216 HydrophobicContact CD2-CB 3.97Å; N102-E216 HydrophobicContact CB-CG 4.45Å; V105-E216 HydrophobicContact CB-CG 4.36Å; V105-E216 HydrophobicContact CG2-CG 3.77Å; L212-E216 PolarHBondContact O-N 3.1Å; I213-E216 PolarHBondContact O-N 3.41Å; I214-E216 PolarHBondContact O-N 3.14Å; E216-K219 PolarHBondContact O-N 3.36Å; E216-K219 WeakPolarHBondContact OE1-CD 2.83Å; E216-K219 IonicContact OE1-NZ 2.77Å; E216-K219 PolarHBondContact OE1-NZ 3.42Å; E216-N220 WeakPolarHBondContact O-CB 3.25Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.87Å
217	V	98.9	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-49.8	170.7	172.8	0	0	0	0	109.9	L100 Y115 V184 I186 I213 I214 K219 N220 L221	L100-V217 HydrophobicContact CD2-CG2 3.75Å; Y115-V217 HydrophobicContact CD1-CB 4.28Å; Y115-V217 HydrophobicContact CD1-CG1 3.89Å; Y115-V217 HydrophobicContact CD1-CG2 3.7Å; Y115-V217 HydrophobicContact CD2-CG1 4.39Å; Y115-V217 HydrophobicContact CE1-CG1 4.4Å; Y115-V217 HydrophobicContact CE1-CG2 4.49Å; Y115-V217 HydrophobicContact CG-CG1 3.86Å; Y115-V217 HydrophobicContact CG-CG2 4.19Å; V184-V217 HydrophobicContact CG1-CG1 4.27Å; I186-V217 HydrophobicContact CD1-CB 3.83Å; I186-V217 HydrophobicContact CD1-CG1 3.67Å; I186-V217 HydrophobicContact CD1-CG2 3.88Å; I186-V217 HydrophobicContact CG1-CG1 4.13Å; I186-V217 HydrophobicContact CG1-CG2 4.31Å; I186-V217 HydrophobicContact CG2-CG2 4.23Å; I213-V217 HydrophobicContact CG2-CG2 4.32Å; I213-V217 VanDerWaalsContact O-CG2 3.3Å; I213-V217 WeakPolarHBondContact O-CG2 3.25Å; I213-V217 PolarHBondContact O-N 2.85Å; I214-V217 PolarHBondContact O-N 3.47Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 2.93Å; V217-N220 PolarHBondContact O-N 2.67Å; V217-N220 VanDerWaalsContact O-N 3.13Å; V217-L221 HydrophobicContact CG1-CD1 3.76Å; V217-L221 HydrophobicContact CG1-CG 4.1Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 VanDerWaalsContact O-CG 3.23Å; V217-L221 WeakPolarHBondContact O-CG 3.08Å; V217-L221 PolarHBondContact O-N 2.91Å
218	V	98.8	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-46.3	178.1	171.3	0	0	0	0	111.1	I128 I214 Q215 N220 L221 L222 L226 V251 L254 L255	I128-V218 HydrophobicContact CD1-CG2 4.05Å; I214-V218 WeakPolarHBondContact O-CG2 3.18Å; I214-V218 PolarHBondContact O-N 2.97Å; Q215-V218 PolarHBondContact O-N 2.93Å; V218-N220 PolarHBondContact O-N 2.6Å; V218-L221 PolarHBondContact O-N 3.31Å; V218-L222 PolarHBondContact O-N 3.05Å; V218-L222 VanDerWaalsContact O-N 3.13Å; V218-L226 HydrophobicContact CG1-CD2 4.05Å; V218-V251 HydrophobicContact CG2-CG1 4.05Å; V218-V251 HydrophobicContact CG2-CG2 4.32Å; V218-L254 HydrophobicContact CB-CD2 4.19Å; V218-L254 HydrophobicContact CG1-CD2 4.06Å; V218-L255 HydrophobicContact CG1-CD2 3.75Å; V218-L255 HydrophobicContact CG1-CG 4.14Å
219	K	98.4	Very high	98	Very high	73 Å²	73	27.9 Å²	27.9	32%	0.317	17%	0.165	S	C	.	.	H	α-helix	trans	-60.1	-43.2	176.1	-69.5	174.4	-165.2	170.5	0	112.8	Q215 E216 V217 L221 L222 L254 M258	Q215-K219 WeakPolarHBondContact O-CG 3.45Å; Q215-K219 PolarHBondContact O-N 3.14Å; E216-K219 PolarHBondContact O-N 3.36Å; E216-K219 WeakPolarHBondContact OE1-CD 2.83Å; E216-K219 IonicContact OE1-NZ 2.77Å; E216-K219 PolarHBondContact OE1-NZ 3.42Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 2.93Å; K219-L221 VanDerWaalsContact C-N 3.3Å; K219-L221 PolarHBondContact O-N 2.84Å; K219-L222 WeakPolarHBondContact O-CB 3.31Å; K219-L222 PolarHBondContact O-N 3.05Å; K219-L254 HydrophobicContact CG-CD2 4.39Å; K219-M258 HydrophobicContact CG-CE 4.32Å; K219-M258 HydrophobicContact CG-SD 3.96Å
220	N	98.1	Very high	97.9	Very high	29 Å²	29	34.5 Å²	34.5	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-35.8	179	-80.6	-143.4	0	0	0	111.3	V101 Y115 E216 V217 V218 G223	V101-N220 PolarHBondContact N-OD1 3.37Å; Y115-N220 HydrophobicContact CE1-CB 4.07Å; E216-N220 WeakPolarHBondContact O-CB 3.25Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.87Å; V217-N220 PolarHBondContact O-N 2.67Å; V217-N220 VanDerWaalsContact O-N 3.13Å; V218-N220 PolarHBondContact O-N 2.6Å; N220-G223 PolarHBondContact O-N 2.93Å
221	L	98.5	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.6	-26.4	178.6	-69.2	176.4	0	0	0	113.4	Y115 L117 W126 I128 V184 V217 V218 K219 G223 K224 G225 L226	Y115-L221 HydrophobicContact CD2-CD2 4.12Å; Y115-L221 HydrophobicContact CE2-CD2 3.45Å; Y115-L221 VanDerWaalsContact CE2-CD2 3.45Å; Y115-L221 HydrophobicContact CE2-CG 4.29Å; L117-L221 HydrophobicContact CD1-CD2 4.28Å; L117-L221 HydrophobicContact CD2-CD2 4.27Å; W126-L221 HydrophobicContact CE3-CD1 4.44Å; W126-L221 HydrophobicContact CH2-CD2 4.44Å; W126-L221 HydrophobicContact CZ3-CB 4.41Å; W126-L221 HydrophobicContact CZ3-CD1 4.31Å; W126-L221 HydrophobicContact CZ3-CD2 3.83Å; W126-L221 HydrophobicContact CZ3-CG 4.4Å; I128-L221 HydrophobicContact CD1-CD1 3.72Å; I128-L221 HydrophobicContact CG1-CD1 4.19Å; V184-L221 HydrophobicContact CB-CD1 4.49Å; V184-L221 HydrophobicContact CG1-CD1 4.2Å; V184-L221 HydrophobicContact CG2-CD1 3.81Å; V184-L221 HydrophobicContact CG2-CD2 4.05Å; V217-L221 HydrophobicContact CG1-CD1 3.76Å; V217-L221 HydrophobicContact CG1-CG 4.1Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 VanDerWaalsContact O-CG 3.23Å; V217-L221 WeakPolarHBondContact O-CG 3.08Å; V217-L221 PolarHBondContact O-N 2.91Å; V218-L221 PolarHBondContact O-N 3.31Å; K219-L221 VanDerWaalsContact C-N 3.3Å; K219-L221 PolarHBondContact O-N 2.84Å; L221-G223 PolarHBondContact O-N 2.85Å; L221-K224 HydrophobicContact CD2-CD 4.36Å; L221-K224 CarbonylContact O-C 3.27Å; L221-K224 WeakPolarHBondContact O-CA 3.37Å; L221-K224 PolarHBondContact O-N 3.44Å; L221-G225 PolarHBondContact O-N 3.28Å; L221-L226 HydrophobicContact CB-CB 3.92Å; L221-L226 HydrophobicContact CB-CD2 3.79Å; L221-L226 HydrophobicContact CB-CG 4.47Å; L221-L226 VanDerWaalsContact O-CB 3.23Å; L221-L226 WeakPolarHBondContact O-CB 3.29Å; L221-L226 PolarHBondContact O-N 2.62Å
222	L	97.6	Very high	97.9	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-41.9	172.8	-71.5	170.8	0	0	0	111.2	V218 K219 K224 G225 L226 D227 L255 M258 Y260	V218-L222 PolarHBondContact O-N 3.05Å; V218-L222 VanDerWaalsContact O-N 3.13Å; K219-L222 WeakPolarHBondContact O-CB 3.31Å; K219-L222 PolarHBondContact O-N 3.05Å; L222-K224 PolarHBondContact O-N 3.14Å; L222-G225 PolarHBondContact O-N 3.34Å; L222-L226 HydrophobicContact CD2-CB 4.35Å; L222-L226 HydrophobicContact CD2-CD2 4.35Å; L222-L226 HydrophobicContact CD2-CG 4.28Å; L222-D227 HydrophobicContact CD2-CB 4.29Å; L222-L255 HydrophobicContact CD1-CD2 4.38Å; L222-L255 HydrophobicContact CD2-CD2 3.84Å; L222-L255 HydrophobicContact CG-CD2 4.41Å; L222-M258 HydrophobicContact CD1-CE 3.59Å; L222-M258 HydrophobicContact CD1-SD 3.81Å; L222-Y260 HydrophobicContact CD1-CD2 4.05Å; L222-Y260 HydrophobicContact CD1-CE2 3.68Å; L222-Y260 HydrophobicContact CD2-CD1 4.41Å; L222-Y260 HydrophobicContact CD2-CD2 3.79Å; L222-Y260 HydrophobicContact CD2-CE1 4.37Å; L222-Y260 HydrophobicContact CD2-CE2 3.73Å; L222-Y260 HydrophobicContact CD2-CG 4.13Å; L222-Y260 HydrophobicContact CG-CE2 4.26Å
223	G	95.1	Very high	97.9	Very high	75 Å²	75	33.1 Å²	33.1	77%	0.773	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-2.3	173.9	0	0	0	0	0	115.1	N220 L221	N220-G223 PolarHBondContact O-N 2.93Å; L221-G223 PolarHBondContact O-N 2.85Å
224	K	96.3	Very high	97.9	Very high	74 Å²	74	33 Å²	33	32%	0.322	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	13.6	-178.7	-64.3	177.7	174.1	-81.7	0	112.9	N98 Y115 L117 L221 L222	N98-K224 PolarHBondContact OD1-NZ 2.79Å; N98-K224 VanDerWaalsContact OD1-NZ 3.13Å; Y115-K224 WeakPolarHBondContact OH-CD 3.36Å; Y115-K224 WeakPolarHBondContact OH-CE 3.45Å; L117-K224 HydrophobicContact CD2-CB 4.45Å; L117-K224 HydrophobicContact CD2-CD 3.71Å; L221-K224 HydrophobicContact CD2-CD 4.36Å; L221-K224 CarbonylContact O-C 3.27Å; L221-K224 WeakPolarHBondContact O-CA 3.37Å; L221-K224 PolarHBondContact O-N 3.44Å; L222-K224 PolarHBondContact O-N 3.14Å
225	G	96.9	Very high	97.9	Very high	27 Å²	27	33 Å²	33	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.3	0	174.3	0	0	0	0	0	115.6	W126 L221 L222 D227 N228	W126-G225 VanDerWaalsContact CZ2-C 3.42Å; L221-G225 PolarHBondContact O-N 3.28Å; L222-G225 PolarHBondContact O-N 3.34Å; G225-D227 WeakPolarHBondContact CA-OD1 3.49Å; G225-D227 PolarHBondContact O-N 3.07Å; G225-N228 PolarHBondContact O-N 2.92Å
226	L	98.1	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-66	-27.2	174.8	-179.3	67.8	0	0	0	111.8	W126 V218 L221 L222 N228 A229 L232 I263	W126-L226 HydrophobicContact CB-CD1 3.75Å; W126-L226 HydrophobicContact CD2-CB 4.26Å; W126-L226 HydrophobicContact CD2-CD1 3.53Å; W126-L226 HydrophobicContact CE3-CD1 4.09Å; W126-L226 HydrophobicContact CG-CD1 3.35Å; W126-L226 HydrophobicContact CH2-CB 4.44Å; W126-L226 HydrophobicContact CZ2-CB 4.14Å; W126-L226 VanDerWaalsContact CZ2-N 3.32Å; V218-L226 HydrophobicContact CG1-CD2 4.05Å; L221-L226 HydrophobicContact CB-CB 3.92Å; L221-L226 HydrophobicContact CB-CD2 3.79Å; L221-L226 HydrophobicContact CB-CG 4.47Å; L221-L226 VanDerWaalsContact O-CB 3.23Å; L221-L226 WeakPolarHBondContact O-CB 3.29Å; L221-L226 PolarHBondContact O-N 2.62Å; L222-L226 HydrophobicContact CD2-CB 4.35Å; L222-L226 HydrophobicContact CD2-CD2 4.35Å; L222-L226 HydrophobicContact CD2-CG 4.28Å; L226-N228 PolarHBondContact O-N 3.14Å; L226-N228 VanDerWaalsContact O-N 3.12Å; L226-A229 HydrophobicContact CD1-CB 3.9Å; L226-A229 WeakPolarHBondContact O-CB 3.42Å; L226-A229 PolarHBondContact O-N 3.13Å; L226-L232 HydrophobicContact CD1-CB 4.5Å; L226-L232 HydrophobicContact CD1-CD1 3.93Å; L226-L232 HydrophobicContact CD1-CG 4.27Å; L226-L232 HydrophobicContact CD2-CD1 3.96Å; L226-L232 HydrophobicContact CG-CD1 4.47Å; L226-I263 VanDerWaalsContact O-CD1 3.23Å; L226-I263 WeakPolarHBondContact O-CD1 3.35Å
227	D	97	Very high	97.9	Very high	60 Å²	60	29.8 Å²	29.8	32%	0.321	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-52.9	-28.5	172.9	66	-33.3	0	0	0	113.6	L222 G225 Y260	L222-D227 HydrophobicContact CD2-CB 4.29Å; G225-D227 WeakPolarHBondContact CA-OD1 3.49Å; G225-D227 PolarHBondContact O-N 3.07Å; D227-Y260 HydrophobicContact CB-CD1 4.22Å; D227-Y260 HydrophobicContact CB-CE1 3.52Å
228	N	95.8	Very high	97.9	Very high	102 Å²	102	30.1 Å²	30.1	55%	0.545	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-96.9	7.2	179.3	-69	-74	0	0	0	113.8	G225 L226	G225-N228 PolarHBondContact O-N 2.92Å; L226-N228 PolarHBondContact O-N 3.14Å; L226-N228 VanDerWaalsContact O-N 3.12Å
229	A	97.9	Very high	97.9	Very high	9 Å²	9	30.4 Å²	30.4	7%	0.074	17%	0.171	C	C	.	.			trans	-66.7	150.4	-178.1	0	0	0	0	0	112.5	W126 L226 I263	W126-A229 VanDerWaalsContact CD1-CB 3.41Å; W126-A229 HydrophobicContact CG-CB 4.34Å; L226-A229 HydrophobicContact CD1-CB 3.9Å; L226-A229 WeakPolarHBondContact O-CB 3.42Å; L226-A229 PolarHBondContact O-N 3.13Å; A229-I263 HydrophobicContact CB-CD1 4.26Å; A229-I263 HydrophobicContact CB-CG1 4.28Å; A229-I263 HydrophobicContact CB-CG2 4.09Å
230	R	97	Very high	97.9	Very high	150 Å²	150	26.9 Å²	26.9	57%	0.566	16%	0.156	S	C	*	.	S	Bend	trans	-99.1	-35.4	165.6	-100.7	-167.4	172.7	179.4	0.1	111.9	R124 Q264	R124-R230 HydrophobicContact CB-CB 4.14Å; R124-R230 PolarHBondContact O-N 2.03Å; R230-Q264 WeakPolarHBondContact O-CB 3.21Å; R230-Q264 PolarHBondContact O-N 2.83Å; R230-Q264 PolarHBondContact O-NE2 2.87Å
231	V	98.3	Very high	97.9	Very high	12 Å²	12	25.5 Å²	25.5	7%	0.073	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.1	-178	-178.6	0	0	0	0	108.6	R124 W126 W178 Q264 R266	R124-V231 PolarHBondContact O-N 3.18Å; W126-V231 PolarHBondContact N-O 2.93Å; W178-V231 HydrophobicContact CH2-CG1 4.1Å; V231-Q264 WeakPolarHBondContact CA-O 3.23Å; V231-Q264 HydrophobicContact CG2-CB 4.47Å; V231-R266 HydrophobicContact CG1-CG 4.46Å
232	L	98.8	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.9	166.1	-173.7	172.9	0	0	0	107.2	I128 L226 L234 V251 L255 I263 Q264 V265 R266	I128-L232 HydrophobicContact CD1-CD1 3.99Å; I128-L232 HydrophobicContact CD1-CD2 4.05Å; I128-L232 HydrophobicContact CD1-CG 4.09Å; I128-L232 HydrophobicContact CG1-CD2 4.38Å; L226-L232 HydrophobicContact CD1-CB 4.5Å; L226-L232 HydrophobicContact CD1-CD1 3.93Å; L226-L232 HydrophobicContact CD1-CG 4.27Å; L226-L232 HydrophobicContact CD2-CD1 3.96Å; L226-L232 HydrophobicContact CG-CD1 4.47Å; L232-L234 HydrophobicContact CD2-CB 4.23Å; L232-V251 HydrophobicContact CD1-CG1 4.05Å; L232-V251 HydrophobicContact CD2-CG1 4.38Å; L232-L255 HydrophobicContact CD1-CD1 3.77Å; L232-I263 HydrophobicContact CB-CG2 3.93Å; L232-Q264 PolarHBondContact N-O 2.91Å; L232-V265 HydrophobicContact CB-CG2 4.49Å; L232-V265 WeakPolarHBondContact O-CA 3.18Å; L232-R266 PolarHBondContact O-N 2.68Å
233	L	98.9	Very high	98	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.6	171.6	-177.6	64.7	0	0	0	109.1	W126 L127 I128 W178 A235 R266 L268 W419	W126-L233 PolarHBondContact O-N 2.75Å; L127-L233 WeakPolarHBondContact CA-O 3.23Å; L127-L233 HydrophobicContact CD1-CD2 4.39Å; L127-L233 HydrophobicContact CG-CD2 4.4Å; I128-L233 PolarHBondContact N-O 2.88Å; W178-L233 HydrophobicContact CE3-CD2 4.36Å; W178-L233 HydrophobicContact CH2-CB 3.58Å; W178-L233 HydrophobicContact CH2-CD2 3.78Å; W178-L233 HydrophobicContact CH2-CG 4.28Å; W178-L233 HydrophobicContact CZ2-CB 4.48Å; W178-L233 HydrophobicContact CZ2-CD2 3.95Å; W178-L233 HydrophobicContact CZ3-CB 3.74Å; W178-L233 HydrophobicContact CZ3-CD2 3.99Å; L233-A235 PolarHBondContact O-N 2.87Å; L233-R266 HydrophobicContact CD1-CB 3.9Å; L233-L268 HydrophobicContact CD1-CB 3.98Å; L233-L268 HydrophobicContact CD2-CB 4.42Å; L233-L268 HydrophobicContact CD2-CD2 4.33Å; L233-L268 HydrophobicContact CG-CB 4.32Å; L233-W419 HydrophobicContact CD1-CH2 4.16Å; L233-W419 HydrophobicContact CD1-CZ3 3.94Å
234	L	98.9	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	105.4	169.2	-174.3	67.5	0	0	0	107.9	I128 L130 L232 V244 N247 V248 V251 R266 G267 L268	I128-L234 HydrophobicContact CB-CD1 4.08Å; I128-L234 HydrophobicContact CG2-CD1 3.9Å; I128-L234 CarbonylContact O-C 3.55Å; I128-L234 WeakPolarHBondContact O-CA 3.41Å; L130-L234 HydrophobicContact CD1-CD1 4.11Å; L130-L234 HydrophobicContact CD1-CD2 4.47Å; L130-L234 HydrophobicContact CD1-CG 4.34Å; L130-L234 HydrophobicContact CD2-CD1 4.11Å; L130-L234 HydrophobicContact CG-CD1 4.02Å; L232-L234 HydrophobicContact CD2-CB 4.23Å; L234-V244 HydrophobicContact CD2-CG1 4.45Å; L234-V244 HydrophobicContact CG-CG1 4.43Å; L234-V244 HydrophobicContact CG-CG2 4.23Å; L234-V244 VanDerWaalsContact O-CG1 3.29Å; L234-V244 WeakPolarHBondContact O-CG1 3.46Å; L234-N247 HydrophobicContact CD2-CB 4.36Å; L234-V248 HydrophobicContact CD2-CB 4.3Å; L234-V251 HydrophobicContact CD2-CG2 4.22Å; L234-R266 PolarHBondContact N-O 3.09Å; L234-G267 CarbonylContact O-C 3.58Å; L234-G267 VanDerWaalsContact O-CA 3.3Å; L234-G267 WeakPolarHBondContact O-CA 3.41Å; L234-L268 PolarHBondContact O-N 2.98Å
235	A	98.9	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158.9	179.2	0	0	0	0	0	110.7	L127 I128 F129 L130 L233 L268 I397	L127-A235 HydrophobicContact CD2-CB 4.05Å; I128-A235 PolarHBondContact O-N 2.98Å; F129-A235 CarbonylContact C-O 3.38Å; F129-A235 VanDerWaalsContact CA-O 3.25Å; F129-A235 WeakPolarHBondContact CA-O 2.96Å; F129-A235 HydrophobicContact CD2-CB 4.25Å; L130-A235 PolarHBondContact N-O 3.13Å; L233-A235 PolarHBondContact O-N 2.87Å; A235-L268 CarbonylContact C-O 3.51Å; A235-L268 VanDerWaalsContact CA-O 3.26Å; A235-L268 WeakPolarHBondContact CA-O 3.46Å; A235-L268 HydrophobicContact CB-CB 3.94Å; A235-L268 HydrophobicContact CB-CD2 4.12Å; A235-L268 HydrophobicContact CB-CG 4.25Å; A235-I397 HydrophobicContact CB-CD1 4.14Å
236	G	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	154.5	172.5	0	0	0	0	0	111.9	L130 G241 L268 D270	L130-G236 VanDerWaalsContact O-CA 3.26Å; L130-G236 WeakPolarHBondContact O-CA 3.45Å; G236-G241 VanDerWaalsContact C-N 3.33Å; G236-G241 VanDerWaalsContact O-CA 3.27Å; G236-G241 WeakPolarHBondContact O-CA 3.27Å; G236-L268 PolarHBondContact N-O 3.17Å; G236-D270 WeakPolarHBondContact O-CB 3.42Å; G236-D270 PolarHBondContact O-N 2.86Å
237	S	98.9	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.4	179.2	-61.9	0	0	0	0	111.5	F129 L130 G132 A239 G240 G241 D270 I397	F129-S237 WeakPolarHBondContact CE2-OG 3.38Å; L130-S237 PolarHBondContact O-N 3.05Å; G132-S237 VanDerWaalsContact CA-O 3.23Å; G132-S237 WeakPolarHBondContact CA-O 3.41Å; G132-S237 PolarHBondContact N-O 3.29Å; S237-A239 PolarHBondContact O-N 3.38Å; S237-G240 VanDerWaalsContact O-CA 3.3Å; S237-G240 WeakPolarHBondContact O-CA 3.27Å; S237-G240 PolarHBondContact O-N 3.08Å; S237-G241 PolarHBondContact O-N 3.21Å; S237-D270 CarbonylContact C-O 3.51Å; S237-D270 WeakPolarHBondContact CA-O 3.39Å; S237-D270 WeakPolarHBondContact CB-OD2 3.38Å; S237-D270 PolarHBondContact OG-OD2 2.77Å; S237-I397 WeakPolarHBondContact OG-CG1 3.27Å
238	S	98.6	Very high	98.5	Very high	6 Å²	6	14.3 Å²	14.3	4%	0.042	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-128.5	177.8	-174.1	0	0	0	0	111	G240 G241 T242 D270 S271 H394 E395	S238-G240 PolarHBondContact O-N 2.75Å; S238-G240 VanDerWaalsContact O-N 3.12Å; S238-G241 WeakPolarHBondContact O-CA 3.26Å; S238-G241 PolarHBondContact O-N 3.04Å; S238-T242 PolarHBondContact O-N 3.3Å; S238-D270 PolarHBondContact N-O 3.46Å; S238-S271 WeakPolarHBondContact CA-O 3.43Å; S238-H394 WeakPolarHBondContact CB-NE2 3.41Å; S238-H394 PolarHBondContact OG-CE1 3.08Å; S238-H394 PolarHBondContact OG-NE2 2.94Å; S238-E395 VanDerWaalsContact CB-OE1 3.31Å; S238-E395 WeakPolarHBondContact CB-OE1 3.3Å
239	A	98.7	Very high	98.7	Very high	6 Å²	6	10.1 Å²	10.1	5%	0.05	5%	0.046	C	C	.	.	H	α-helix	trans	-53.6	-29.8	171.4	0	0	0	0	0	113.2	V193 S237 G243	V193-A239 HydrophobicContact CG1-CB 4.14Å; V193-A239 WeakPolarHBondContact CG1-O 3.25Å; S237-A239 PolarHBondContact O-N 3.38Å; A239-G243 PolarHBondContact O-N 3.28Å
240	G	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68	-34.9	171.7	0	0	0	0	0	113.1	S237 S238 G243 V244	S237-G240 VanDerWaalsContact O-CA 3.3Å; S237-G240 WeakPolarHBondContact O-CA 3.27Å; S237-G240 PolarHBondContact O-N 3.08Å; S238-G240 PolarHBondContact O-N 2.75Å; S238-G240 VanDerWaalsContact O-N 3.12Å; G240-G243 CarbonylContact O-C 3.58Å; G240-G243 WeakPolarHBondContact O-CA 3.3Å; G240-G243 PolarHBondContact O-N 2.89Å; G240-V244 WeakPolarHBondContact O-CG2 3.32Å; G240-V244 PolarHBondContact O-N 3.42Å
241	G	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-64.5	-47.4	174	0	0	0	0	0	111.7	G236 S237 S238 G243 V244 L245 S269	G236-G241 VanDerWaalsContact C-N 3.33Å; G236-G241 VanDerWaalsContact O-CA 3.27Å; G236-G241 WeakPolarHBondContact O-CA 3.27Å; S237-G241 PolarHBondContact O-N 3.21Å; S238-G241 WeakPolarHBondContact O-CA 3.26Å; S238-G241 PolarHBondContact O-N 3.04Å; G241-G243 VanDerWaalsContact C-N 3.25Å; G241-G243 PolarHBondContact O-N 2.89Å; G241-V244 WeakPolarHBondContact O-CB 3.28Å; G241-V244 PolarHBondContact O-N 3.36Å; G241-V244 VanDerWaalsContact O-N 3.1Å; G241-L245 PolarHBondContact O-N 3.07Å; G241-S269 PolarHBondContact O-OG 2.96Å
242	T	98.9	Very high	98.8	Very high	6 Å²	6	4.8 Å²	4.8	4%	0.037	3%	0.026	C	C	.	.	H	α-helix	trans	-59.8	-39.6	170	-49.7	0	0	0	0	111	V193 S238 V244 L245 L246 G272 F324	V193-T242 HydrophobicContact CG1-CG2 3.8Å; S238-T242 PolarHBondContact O-N 3.3Å; T242-V244 VanDerWaalsContact C-N 3.28Å; T242-V244 PolarHBondContact O-N 2.97Å; T242-L245 WeakPolarHBondContact O-CB 3.42Å; T242-L245 PolarHBondContact O-N 3.4Å; T242-L245 VanDerWaalsContact O-N 3.07Å; T242-L246 HydrophobicContact CG2-CD1 4.26Å; T242-L246 WeakPolarHBondContact O-CG 3.34Å; T242-L246 PolarHBondContact O-N 3.05Å; T242-G272 PolarHBondContact OG1-O 3.3Å; T242-F324 HydrophobicContact CG2-CD1 4.5Å; T242-F324 WeakPolarHBondContact CG2-O 3.26Å
243	G	98.9	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.8	-36.1	173.3	0	0	0	0	0	114.2	A239 G240 G241 L246 N247	A239-G243 PolarHBondContact O-N 3.28Å; G240-G243 CarbonylContact O-C 3.58Å; G240-G243 WeakPolarHBondContact O-CA 3.3Å; G240-G243 PolarHBondContact O-N 2.89Å; G241-G243 VanDerWaalsContact C-N 3.25Å; G241-G243 PolarHBondContact O-N 2.89Å; G243-L246 PolarHBondContact O-N 2.82Å; G243-N247 WeakPolarHBondContact O-CB 3.4Å; G243-N247 PolarHBondContact O-N 3.14Å; G243-N247 VanDerWaalsContact O-N 3.09Å; G243-N247 PolarHBondContact O-ND2 2.73Å
244	V	98.9	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.5	-50.7	171.8	176.4	0	0	0	0	110.3	L130 L234 G240 G241 T242 L246 N247 V248	L130-V244 HydrophobicContact CD1-CG2 4.15Å; L234-V244 HydrophobicContact CD2-CG1 4.45Å; L234-V244 HydrophobicContact CG-CG1 4.43Å; L234-V244 HydrophobicContact CG-CG2 4.23Å; L234-V244 VanDerWaalsContact O-CG1 3.29Å; L234-V244 WeakPolarHBondContact O-CG1 3.46Å; G240-V244 WeakPolarHBondContact O-CG2 3.32Å; G240-V244 PolarHBondContact O-N 3.42Å; G241-V244 WeakPolarHBondContact O-CB 3.28Å; G241-V244 PolarHBondContact O-N 3.36Å; G241-V244 VanDerWaalsContact O-N 3.1Å; T242-V244 VanDerWaalsContact C-N 3.28Å; T242-V244 PolarHBondContact O-N 2.97Å; V244-L246 PolarHBondContact O-N 3.44Å; V244-N247 PolarHBondContact O-N 3.44Å; V244-V248 HydrophobicContact CG1-CB 4.37Å; V244-V248 VanDerWaalsContact O-CB 3.29Å; V244-V248 WeakPolarHBondContact O-CB 3.32Å; V244-V248 WeakPolarHBondContact O-CG1 3.39Å; V244-V248 PolarHBondContact O-N 3.02Å
245	L	98.9	Very high	98.7	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-59.7	-35.7	-178.9	-57.2	178	0	0	0	112	G241 T242 V329 I333 V337	G241-L245 PolarHBondContact O-N 3.07Å; T242-L245 WeakPolarHBondContact O-CB 3.42Å; T242-L245 PolarHBondContact O-N 3.4Å; T242-L245 VanDerWaalsContact O-N 3.07Å; L245-V329 HydrophobicContact CB-CG1 3.97Å; L245-V329 HydrophobicContact CD1-CG1 4.21Å; L245-I333 HydrophobicContact CB-CD1 4.12Å; L245-I333 HydrophobicContact CD2-CD1 3.95Å; L245-I333 WeakPolarHBondContact O-CD1 3.29Å; L245-V337 HydrophobicContact CD2-CG1 3.86Å
246	L	98.8	Very high	98.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-78.6	-22.3	179.8	-66.5	176.1	0	0	0	114.5	T242 G243 V244 R250 V308 C323 F324	T242-L246 HydrophobicContact CG2-CD1 4.26Å; T242-L246 WeakPolarHBondContact O-CG 3.34Å; T242-L246 PolarHBondContact O-N 3.05Å; G243-L246 PolarHBondContact O-N 2.82Å; V244-L246 PolarHBondContact O-N 3.44Å; L246-R250 PolarHBondContact O-NH1 2.91Å; L246-V308 HydrophobicContact CD2-CB 4.38Å; L246-V308 HydrophobicContact CD2-CG1 4.21Å; L246-C323 VanDerWaalsContact CD2-O 3.25Å; L246-C323 WeakPolarHBondContact CD2-O 3.49Å; L246-F324 HydrophobicContact CD1-CD1 3.92Å; L246-F324 HydrophobicContact CD1-CE1 3.75Å; L246-F324 HydrophobicContact CD1-CE2 4.38Å; L246-F324 HydrophobicContact CD1-CG 4.36Å; L246-F324 HydrophobicContact CD1-CZ 4Å; L246-F324 HydrophobicContact CD2-CD2 4.43Å
247	N	98.9	Very high	98.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-123.4	-13.5	-169.2	-69.5	-84.3	0	0	0	115.2	W194 S211 I214 L234 G243 V244 D249 R250 V251	W194-N247 PolarHBondContact O-ND2 2.91Å; S211-N247 PolarHBondContact OG-OD1 2.92Å; I214-N247 HydrophobicContact CD1-CB 3.9Å; L234-N247 HydrophobicContact CD2-CB 4.36Å; G243-N247 WeakPolarHBondContact O-CB 3.4Å; G243-N247 PolarHBondContact O-N 3.14Å; G243-N247 VanDerWaalsContact O-N 3.09Å; G243-N247 PolarHBondContact O-ND2 2.73Å; V244-N247 PolarHBondContact O-N 3.44Å; N247-D249 VanDerWaalsContact C-N 3.35Å; N247-D249 PolarHBondContact O-N 2.79Å; N247-R250 WeakPolarHBondContact O-CB 3.37Å; N247-R250 PolarHBondContact O-N 3.38Å; N247-R250 VanDerWaalsContact O-N 3.07Å; N247-R250 PolarHBondContact OD1-NH1 2.86Å; N247-V251 WeakPolarHBondContact O-CG2 3.43Å; N247-V251 PolarHBondContact O-N 2.95Å
248	V	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-45.9	-174.4	65.9	0	0	0	0	112.5	L234 V244 V251 A252 V265 I333 V337	L234-V248 HydrophobicContact CD2-CB 4.3Å; V244-V248 HydrophobicContact CG1-CB 4.37Å; V244-V248 VanDerWaalsContact O-CB 3.29Å; V244-V248 WeakPolarHBondContact O-CB 3.32Å; V244-V248 WeakPolarHBondContact O-CG1 3.39Å; V244-V248 PolarHBondContact O-N 3.02Å; V248-V251 PolarHBondContact O-N 3.2Å; V248-A252 PolarHBondContact O-N 2.84Å; V248-A252 VanDerWaalsContact O-N 3.08Å; V248-V265 HydrophobicContact CG2-CG1 3.9Å; V248-I333 HydrophobicContact CG1-CD1 4.49Å; V248-I333 HydrophobicContact CG1-CG2 3.66Å; V248-V337 HydrophobicContact CG1-CG2 4.08Å
249	D	98.6	Very high	98.6	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.08	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-34.4	177.6	-79.9	-2	0	0	0	112.1	N247 V251 A252 E253 I333 K334 S335	N247-D249 VanDerWaalsContact C-N 3.35Å; N247-D249 PolarHBondContact O-N 2.79Å; D249-V251 VanDerWaalsContact C-N 3.3Å; D249-V251 PolarHBondContact O-N 2.96Å; D249-A252 WeakPolarHBondContact O-CB 3.44Å; D249-A252 PolarHBondContact O-N 2.86Å; D249-E253 WeakPolarHBondContact O-CB 3.31Å; D249-E253 VanDerWaalsContact O-CG 3.28Å; D249-E253 WeakPolarHBondContact O-CG 3.09Å; D249-E253 PolarHBondContact O-N 2.91Å; D249-I333 WeakPolarHBondContact OD2-CA 3.33Å; D249-K334 PolarHBondContact OD1-N 3.38Å; D249-K334 PolarHBondContact OD2-N 2.88Å; D249-S335 VanDerWaalsContact OD1-CB 3.25Å; D249-S335 WeakPolarHBondContact OD1-CB 3.35Å; D249-S335 PolarHBondContact OD1-N 3.2Å; D249-S335 PolarHBondContact OD1-OG 2.92Å
250	R	98.2	Very high	98.5	Very high	43 Å²	43	28.9 Å²	28.9	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-36.1	175.8	-170.4	177.7	-64.7	118.8	0.4	111.8	S211 L246 N247 L254 V307 V308	S211-R250 PolarHBondContact OG-NH1 2.83Å; L246-R250 PolarHBondContact O-NH1 2.91Å; N247-R250 WeakPolarHBondContact O-CB 3.37Å; N247-R250 PolarHBondContact O-N 3.38Å; N247-R250 VanDerWaalsContact O-N 3.07Å; N247-R250 PolarHBondContact OD1-NH1 2.86Å; R250-L254 VanDerWaalsContact O-CB 3.23Å; R250-L254 WeakPolarHBondContact O-CB 3.19Å; R250-L254 PolarHBondContact O-N 3.12Å; R250-V307 PolarHBondContact NH2-O 2.86Å; R250-V308 PolarHBondContact NH2-O 3.33Å
251	V	98.8	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-41.6	173	171.5	0	0	0	0	110.8	I214 V218 L232 L234 N247 V248 D249 L254 L255 V265	I214-V251 HydrophobicContact CG2-CG2 3.61Å; V218-V251 HydrophobicContact CG2-CG1 4.05Å; V218-V251 HydrophobicContact CG2-CG2 4.32Å; L232-V251 HydrophobicContact CD1-CG1 4.05Å; L232-V251 HydrophobicContact CD2-CG1 4.38Å; L234-V251 HydrophobicContact CD2-CG2 4.22Å; N247-V251 WeakPolarHBondContact O-CG2 3.43Å; N247-V251 PolarHBondContact O-N 2.95Å; V248-V251 PolarHBondContact O-N 3.2Å; D249-V251 VanDerWaalsContact C-N 3.3Å; D249-V251 PolarHBondContact O-N 2.96Å; V251-L254 PolarHBondContact O-N 3.35Å; V251-L255 HydrophobicContact CG1-CD1 4.35Å; V251-L255 WeakPolarHBondContact O-CG 3.43Å; V251-L255 PolarHBondContact O-N 2.83Å; V251-V265 HydrophobicContact CB-CG1 4.36Å; V251-V265 HydrophobicContact CG1-CG1 4.09Å; V251-V265 HydrophobicContact CG1-CG2 4.25Å
252	A	98.6	Very high	98	Very high	14 Å²	14	35.5 Å²	35.5	12%	0.116	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-51.3	174.3	0	0	0	0	0	111.5	V248 D249 L254 L255 E256 V265	V248-A252 PolarHBondContact O-N 2.84Å; V248-A252 VanDerWaalsContact O-N 3.08Å; D249-A252 WeakPolarHBondContact O-CB 3.44Å; D249-A252 PolarHBondContact O-N 2.86Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 2.78Å; A252-L255 PolarHBondContact O-N 2.87Å; A252-E256 WeakPolarHBondContact O-CG 3.23Å; A252-E256 PolarHBondContact O-N 3.45Å; A252-V265 HydrophobicContact CB-CB 3.89Å; A252-V265 HydrophobicContact CB-CG1 4.26Å; A252-V265 HydrophobicContact CB-CG2 4.06Å
253	E	98.3	Very high	98	Very high	79 Å²	79	35.9 Å²	35.9	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-36.7	-180	-71.1	170.7	176.4	0	0	112.1	D249 G257 K334	D249-E253 WeakPolarHBondContact O-CB 3.31Å; D249-E253 VanDerWaalsContact O-CG 3.28Å; D249-E253 WeakPolarHBondContact O-CG 3.09Å; D249-E253 PolarHBondContact O-N 2.91Å; E253-G257 PolarHBondContact O-N 2.92Å; E253-K334 IonicContact OE1-NZ 2.81Å; E253-K334 PolarHBondContact OE1-NZ 2.03Å
254	L	98.4	Very high	97.9	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-48.5	173	175.6	64.4	0	0	0	111.6	Q215 V218 K219 R250 V251 A252 G257 M258	Q215-L254 HydrophobicContact CB-CD2 3.95Å; Q215-L254 HydrophobicContact CG-CD2 4.1Å; V218-L254 HydrophobicContact CB-CD2 4.19Å; V218-L254 HydrophobicContact CG1-CD2 4.06Å; K219-L254 HydrophobicContact CG-CD2 4.39Å; R250-L254 VanDerWaalsContact O-CB 3.23Å; R250-L254 WeakPolarHBondContact O-CB 3.19Å; R250-L254 PolarHBondContact O-N 3.12Å; V251-L254 PolarHBondContact O-N 3.35Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 2.78Å; L254-G257 PolarHBondContact O-N 2.75Å; L254-M258 HydrophobicContact CD1-CG 4.28Å; L254-M258 HydrophobicContact CD1-SD 3.84Å; L254-M258 HydrophobicContact CG-SD 4.21Å; L254-M258 WeakPolarHBondContact O-CB 3.29Å; L254-M258 VanDerWaalsContact O-CG 3.29Å; L254-M258 WeakPolarHBondContact O-CG 3.23Å; L254-M258 PolarHBondContact O-N 2.8Å
255	L	98.7	Very high	97.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-42.4	-179.9	-73	175.5	0	0	0	111.7	V218 L222 L232 V251 A252 M258 G259 Y260 I263 V265	V218-L255 HydrophobicContact CG1-CD2 3.75Å; V218-L255 HydrophobicContact CG1-CG 4.14Å; L222-L255 HydrophobicContact CD1-CD2 4.38Å; L222-L255 HydrophobicContact CD2-CD2 3.84Å; L222-L255 HydrophobicContact CG-CD2 4.41Å; L232-L255 HydrophobicContact CD1-CD1 3.77Å; V251-L255 HydrophobicContact CG1-CD1 4.35Å; V251-L255 WeakPolarHBondContact O-CG 3.43Å; V251-L255 PolarHBondContact O-N 2.83Å; A252-L255 PolarHBondContact O-N 2.87Å; L255-M258 PolarHBondContact O-N 3.04Å; L255-G259 PolarHBondContact O-N 2.49Å; L255-Y260 WeakPolarHBondContact O-CA 3.5Å; L255-Y260 WeakPolarHBondContact O-CB 3.41Å; L255-Y260 PolarHBondContact O-N 3.2Å; L255-I263 HydrophobicContact CD1-CB 4.25Å; L255-I263 HydrophobicContact CD1-CD1 4.28Å; L255-I263 HydrophobicContact CD1-CG2 3.98Å; L255-I263 HydrophobicContact CD2-CD1 4.24Å; L255-V265 HydrophobicContact CD1-CG2 3.65Å
256	E	97.9	Very high	97.9	Very high	117 Å²	117	39.3 Å²	39.3	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-58.9	-49.1	173.9	-73.7	176.4	-176.3	0	0	111.3	A252 M258 G259 A261	A252-E256 WeakPolarHBondContact O-CG 3.23Å; A252-E256 PolarHBondContact O-N 3.45Å; E256-M258 PolarHBondContact O-N 3.19Å; E256-G259 PolarHBondContact O-N 3.32Å; E256-A261 HydrophobicContact CG-CB 4.22Å
257	G	98.1	Very high	97.9	Very high	73 Å²	73	39.2 Å²	39.2	75%	0.753	25%	0.251	S	S	*	.	H	α-helix	trans	-63.5	-25.2	178.8	0	0	0	0	0	114.1	E253 L254	E253-G257 PolarHBondContact O-N 2.92Å; L254-G257 PolarHBondContact O-N 2.75Å
258	M	97.9	Very high	97.9	Very high	85 Å²	85	39.2 Å²	39.2	42%	0.419	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.1	174.4	-67.7	-175.4	74.4	0	0	113.8	K219 L222 L254 L255 E256 Y260	K219-M258 HydrophobicContact CG-CE 4.32Å; K219-M258 HydrophobicContact CG-SD 3.96Å; L222-M258 HydrophobicContact CD1-CE 3.59Å; L222-M258 HydrophobicContact CD1-SD 3.81Å; L254-M258 HydrophobicContact CD1-CG 4.28Å; L254-M258 HydrophobicContact CD1-SD 3.84Å; L254-M258 HydrophobicContact CG-SD 4.21Å; L254-M258 WeakPolarHBondContact O-CB 3.29Å; L254-M258 VanDerWaalsContact O-CG 3.29Å; L254-M258 WeakPolarHBondContact O-CG 3.23Å; L254-M258 PolarHBondContact O-N 2.8Å; L255-M258 PolarHBondContact O-N 3.04Å; E256-M258 PolarHBondContact O-N 3.19Å; M258-Y260 HydrophobicContact CB-CD2 3.82Å; M258-Y260 HydrophobicContact CB-CE2 4.02Å; M258-Y260 WeakPolarHBondContact O-CD2 3.36Å; M258-Y260 WeakPolarHBondContact O-CE2 3.27Å
259	G	97.7	Very high	97.9	Very high	64 Å²	64	39.2 Å²	39.2	66%	0.66	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	12.3	176.8	0	0	0	0	0	115.2	L255 E256	L255-G259 PolarHBondContact O-N 2.49Å; E256-G259 PolarHBondContact O-N 3.32Å
260	Y	97.6	Very high	97.9	Very high	76 Å²	76	38.5 Å²	38.5	30%	0.298	25%	0.247	S	C	.	.			trans	-106	37.9	-178	-58.2	-77.3	0	0	0	113.4	L222 D227 L255 M258 G262 I263	L222-Y260 HydrophobicContact CD1-CD2 4.05Å; L222-Y260 HydrophobicContact CD1-CE2 3.68Å; L222-Y260 HydrophobicContact CD2-CD1 4.41Å; L222-Y260 HydrophobicContact CD2-CD2 3.79Å; L222-Y260 HydrophobicContact CD2-CE1 4.37Å; L222-Y260 HydrophobicContact CD2-CE2 3.73Å; L222-Y260 HydrophobicContact CD2-CG 4.13Å; L222-Y260 HydrophobicContact CG-CE2 4.26Å; D227-Y260 HydrophobicContact CB-CD1 4.22Å; D227-Y260 HydrophobicContact CB-CE1 3.52Å; L255-Y260 WeakPolarHBondContact O-CA 3.5Å; L255-Y260 WeakPolarHBondContact O-CB 3.41Å; L255-Y260 PolarHBondContact O-N 3.2Å; M258-Y260 HydrophobicContact CB-CD2 3.82Å; M258-Y260 HydrophobicContact CB-CE2 4.02Å; M258-Y260 WeakPolarHBondContact O-CD2 3.36Å; M258-Y260 WeakPolarHBondContact O-CE2 3.27Å; Y260-G262 PolarHBondContact O-N 3.1Å; Y260-I263 HydrophobicContact CD1-CD1 4.46Å; Y260-I263 HydrophobicContact CG-CD1 4.27Å; Y260-I263 PolarHBondContact O-N 3.04Å
261	A	93	Very high	97.9	Very high	73 Å²	73	36.4 Å²	36.4	60%	0.603	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-11.9	-179.8	0	0	0	0	0	114.8	E256 I263	E256-A261 HydrophobicContact CG-CB 4.22Å; A261-I263 VanDerWaalsContact C-N 3.33Å
262	G	94.3	Very high	97.9	Very high	65 Å²	65	36.4 Å²	36.4	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.4	173.8	0	0	0	0	0	114.8	Y260	Y260-G262 PolarHBondContact O-N 3.1Å
263	I	98	Very high	97.9	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.077	23%	0.234	C	C	.	.	S	Bend	trans	-82.4	119.4	179.7	-56.6	176.8	0	0	0	109	L226 A229 L232 L255 Y260 A261 V265	L226-I263 VanDerWaalsContact O-CD1 3.23Å; L226-I263 WeakPolarHBondContact O-CD1 3.35Å; A229-I263 HydrophobicContact CB-CD1 4.26Å; A229-I263 HydrophobicContact CB-CG1 4.28Å; A229-I263 HydrophobicContact CB-CG2 4.09Å; L232-I263 HydrophobicContact CB-CG2 3.93Å; L255-I263 HydrophobicContact CD1-CB 4.25Å; L255-I263 HydrophobicContact CD1-CD1 4.28Å; L255-I263 HydrophobicContact CD1-CG2 3.98Å; L255-I263 HydrophobicContact CD2-CD1 4.24Å; Y260-I263 HydrophobicContact CD1-CD1 4.46Å; Y260-I263 HydrophobicContact CG-CD1 4.27Å; Y260-I263 PolarHBondContact O-N 3.04Å; A261-I263 VanDerWaalsContact C-N 3.33Å; I263-V265 PolarHBondContact O-N 2.77Å
264	Q	97.8	Very high	97.9	Very high	55 Å²	55	33.7 Å²	33.7	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.8	175.1	-69.6	164.1	70.4	0	0	110.3	R230 V231 L232 R266	R230-Q264 WeakPolarHBondContact O-CB 3.21Å; R230-Q264 PolarHBondContact O-N 2.83Å; R230-Q264 PolarHBondContact O-NE2 2.87Å; V231-Q264 WeakPolarHBondContact CA-O 3.23Å; V231-Q264 HydrophobicContact CG2-CB 4.47Å; L232-Q264 PolarHBondContact N-O 2.91Å; Q264-R266 VanDerWaalsContact OE1-NH2 3.12Å
265	V	98.7	Very high	97.9	Very high	12 Å²	12	32.8 Å²	32.8	7%	0.073	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.2	172.1	-177.8	0	0	0	0	110.2	L232 V248 V251 A252 L255 I263	L232-V265 HydrophobicContact CB-CG2 4.49Å; L232-V265 WeakPolarHBondContact O-CA 3.18Å; V248-V265 HydrophobicContact CG2-CG1 3.9Å; V251-V265 HydrophobicContact CB-CG1 4.36Å; V251-V265 HydrophobicContact CG1-CG1 4.09Å; V251-V265 HydrophobicContact CG1-CG2 4.25Å; A252-V265 HydrophobicContact CB-CB 3.89Å; A252-V265 HydrophobicContact CB-CG1 4.26Å; A252-V265 HydrophobicContact CB-CG2 4.06Å; L255-V265 HydrophobicContact CD1-CG2 3.65Å; I263-V265 PolarHBondContact O-N 2.77Å
266	R	98.8	Very high	97.7	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.6	179.6	-57.6	179.5	-174.1	174.4	-0.4	109.7	V231 L232 L233 L234 Q264 P336 W419 D420 L423	V231-R266 HydrophobicContact CG1-CG 4.46Å; L232-R266 PolarHBondContact O-N 2.68Å; L233-R266 HydrophobicContact CD1-CB 3.9Å; L234-R266 PolarHBondContact N-O 3.09Å; Q264-R266 VanDerWaalsContact OE1-NH2 3.12Å; R266-P336 CarbonylContact C-O 3.58Å; R266-P336 WeakPolarHBondContact CA-O 3.5Å; R266-W419 HydrophobicContact CB-CH2 3.84Å; R266-D420 IonicContact CZ-OD1 3.66Å; R266-D420 IonicContact NH1-OD1 2.66Å; R266-D420 PolarHBondContact NH1-OD1 3.13Å; R266-D420 IonicContact NH2-OD1 3.8Å; R266-L423 HydrophobicContact CG-CD1 4.46Å
267	G	98.9	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.6	177.5	0	0	0	0	0	113.5	L234 P336 V337 F338 W419	L234-G267 CarbonylContact O-C 3.58Å; L234-G267 VanDerWaalsContact O-CA 3.3Å; L234-G267 WeakPolarHBondContact O-CA 3.41Å; G267-P336 PolarHBondContact N-O 3.25Å; G267-V337 CarbonylContact O-C 3.37Å; G267-V337 WeakPolarHBondContact O-CA 3.02Å; G267-F338 PolarHBondContact O-N 2.94Å; G267-W419 VanDerWaalsContact O-CH2 3.29Å; G267-W419 WeakPolarHBondContact O-CH2 3.05Å
268	L	98.9	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	101.9	165.9	170.9	58.8	0	0	0	109	I167 L233 L234 A235 G236 F338 V340 I397 L416	I167-L268 HydrophobicContact CD1-CD2 3.53Å; L233-L268 HydrophobicContact CD1-CB 3.98Å; L233-L268 HydrophobicContact CD2-CB 4.42Å; L233-L268 HydrophobicContact CD2-CD2 4.33Å; L233-L268 HydrophobicContact CG-CB 4.32Å; L234-L268 PolarHBondContact O-N 2.98Å; A235-L268 CarbonylContact C-O 3.51Å; A235-L268 VanDerWaalsContact CA-O 3.26Å; A235-L268 WeakPolarHBondContact CA-O 3.46Å; A235-L268 HydrophobicContact CB-CB 3.94Å; A235-L268 HydrophobicContact CB-CD2 4.12Å; A235-L268 HydrophobicContact CB-CG 4.25Å; G236-L268 PolarHBondContact N-O 3.17Å; L268-F338 WeakPolarHBondContact CA-O 3.44Å; L268-F338 HydrophobicContact CD1-CB 4.1Å; L268-F338 HydrophobicContact CD1-CD1 3.97Å; L268-F338 HydrophobicContact CD1-CG 4.37Å; L268-V340 HydrophobicContact CD1-CG2 3.74Å; L268-I397 HydrophobicContact CD2-CD1 3.92Å; L268-I397 HydrophobicContact CD2-CG2 4.35Å; L268-I397 HydrophobicContact CG-CD1 4.09Å; L268-L416 HydrophobicContact CD1-CD2 3.85Å; L268-L416 HydrophobicContact CD2-CD1 4.13Å; L268-L416 HydrophobicContact CD2-CD2 4.26Å
269	S	98.9	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.7	-179.8	170.4	0	0	0	0	109.7	G241 F338 V340	G241-S269 PolarHBondContact O-OG 2.96Å; S269-F338 PolarHBondContact N-O 3.43Å; S269-V340 PolarHBondContact O-N 3.49Å
270	D	98.9	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.4	175.4	170.1	35	0	0	0	111.2	G236 S237 S238 G272 V340 V396 I397	G236-D270 WeakPolarHBondContact O-CB 3.42Å; G236-D270 PolarHBondContact O-N 2.86Å; S237-D270 CarbonylContact C-O 3.51Å; S237-D270 WeakPolarHBondContact CA-O 3.39Å; S237-D270 WeakPolarHBondContact CB-OD2 3.38Å; S237-D270 PolarHBondContact OG-OD2 2.77Å; S238-D270 PolarHBondContact N-O 3.46Å; D270-G272 PolarHBondContact O-N 3.2Å; D270-V340 CarbonylContact C-O 3.34Å; D270-V340 WeakPolarHBondContact CA-O 3.32Å; D270-V340 HydrophobicContact CB-CB 4.22Å; D270-V396 PolarHBondContact OD1-N 2.89Å; D270-V396 PolarHBondContact OD2-N 2.77Å; D270-I397 HydrophobicContact CB-CD1 3.76Å; D270-I397 HydrophobicContact CB-CG1 3.94Å; D270-I397 HydrophobicContact CB-CG2 3.9Å; D270-I397 WeakPolarHBondContact OD2-CG1 3.47Å; D270-I397 PolarHBondContact OD2-N 3.01Å
271	S	98.8	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	51.2	28.9	179.4	-84.6	0	0	0	0	113.8	S238 F274 V340 Q341 D345 E395	S238-S271 WeakPolarHBondContact CA-O 3.43Å; S271-F274 WeakPolarHBondContact O-CZ 3.17Å; S271-V340 PolarHBondContact N-O 3.48Å; S271-Q341 VanDerWaalsContact CA-OE1 3.25Å; S271-D345 WeakPolarHBondContact CB-OD2 3.33Å; S271-D345 PolarHBondContact OG-OD2 2.8Å; S271-E395 PolarHBondContact OG-N 2.87Å
272	G	98.5	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.			trans	-108	2.5	-176.5	0	0	0	0	0	114.1	T242 D270	T242-G272 PolarHBondContact OG1-O 3.3Å; D270-G272 PolarHBondContact O-N 3.2Å
273	W	98.7	Very high	93.7	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.011	17%	0.173	C	C	.	.			trans	-104	91.7	-175.8	-169.2	-71.1	0	0	0	110.2	Y327 F330 V339 Q341 T379 L380 V383	W273-Y327 VanDerWaalsContact CZ2-N 3.3Å; W273-F330 HydrophobicContact CH2-CB 3.76Å; W273-F330 HydrophobicContact CH2-CD2 4.41Å; W273-F330 HydrophobicContact CH2-CG 4Å; W273-F330 HydrophobicContact CZ3-CB 3.68Å; W273-F330 AromaticContact CZ3-CD2 3.84Å; W273-F330 HydrophobicContact CZ3-CD2 3.84Å; W273-F330 AromaticContact CZ3-CG 3.85Å; W273-F330 HydrophobicContact CZ3-CG 3.85Å; W273-V339 HydrophobicContact CB-CG1 4.4Å; W273-V339 HydrophobicContact CD2-CG1 4.36Å; W273-V339 HydrophobicContact CE3-CG1 3.85Å; W273-V339 HydrophobicContact CE3-CG2 4.04Å; W273-V339 HydrophobicContact CZ3-CG1 4.49Å; W273-V339 HydrophobicContact CZ3-CG2 3.97Å; W273-Q341 HydrophobicContact CB-CB 4.43Å; W273-Q341 HydrophobicContact CB-CG 3.99Å; W273-T379 WeakPolarHBondContact CZ2-O 3.29Å; W273-T379 PolarHBondContact NE1-OG1 3.43Å; W273-L380 HydrophobicContact CD2-CD2 3.8Å; W273-L380 HydrophobicContact CE3-CD2 4.25Å; W273-L380 HydrophobicContact CG-CD2 4.16Å; W273-L380 HydrophobicContact CH2-CD2 4.38Å; W273-L380 HydrophobicContact CZ2-CD2 3.93Å; W273-V383 HydrophobicContact CH2-CG2 3.52Å; W273-V383 HydrophobicContact CZ2-CG2 4.12Å; W273-V383 HydrophobicContact CZ3-CG2 4.09Å
274	F	98.1	Very high	92.7	Very high	34 Å²	34	40.3 Å²	40.3	15%	0.149	21%	0.205	C	C	.	.			trans	-97	159.3	179.7	-64.1	-81.8	0	0	0	112.3	S271 F325 A347 Q348	S271-F274 WeakPolarHBondContact O-CZ 3.17Å; F274-F325 HydrophobicContact CB-CD1 4.37Å; F274-A347 HydrophobicContact CE1-CB 3.92Å; F274-A347 HydrophobicContact CZ-CB 4.24Å; F274-Q348 HydrophobicContact CD1-CB 4.26Å
275	L	97.7	Very high	91.7	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.202	C	C	.	.			trans	-104.3	141.9	169.8	-56.9	-178.7	0	0	0	110	N277 Y327 Q348 L372 E375 L376 T379	L275-N277 HydrophobicContact CB-CB 4.25Å; L275-N277 PolarHBondContact O-N 3.37Å; L275-N277 PolarHBondContact O-OD1 2.76Å; L275-Y327 HydrophobicContact CD2-CD1 4.23Å; L275-Y327 HydrophobicContact CD2-CE1 4.33Å; L275-Q348 PolarHBondContact O-NE2 3.4Å; L275-L372 HydrophobicContact CD1-CD1 3.81Å; L275-E375 HydrophobicContact CD1-CB 3.86Å; L275-L376 HydrophobicContact CD1-CB 4.2Å; L275-L376 HydrophobicContact CD1-CD1 4.44Å; L275-L376 HydrophobicContact CD2-CD1 4.13Å; L275-L376 HydrophobicContact CG-CD1 4.16Å; L275-T379 HydrophobicContact CD2-CG2 3.67Å
276	D	95.1	Very high	90.6	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	23%	0.232	C	C	.	.			trans	-88.7	41.7	170.3	53.3	-24.7	0	0	0	111	T294 F325 Y327 R328	D276-T294 WeakPolarHBondContact CB-OG1 3.38Å; D276-F325 HydrophobicContact CB-CD1 3.78Å; D276-F325 HydrophobicContact CB-CD2 4.17Å; D276-F325 HydrophobicContact CB-CE1 3.51Å; D276-F325 HydrophobicContact CB-CE2 3.93Å; D276-F325 HydrophobicContact CB-CG 4.1Å; D276-F325 HydrophobicContact CB-CZ 3.6Å; D276-Y327 VanDerWaalsContact CG-OH 3.23Å; D276-Y327 VanDerWaalsContact OD1-CE1 3.27Å; D276-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D276-Y327 VanDerWaalsContact OD1-CZ 3.27Å; D276-Y327 PolarHBondContact OD1-OH 3.04Å; D276-Y327 PolarHBondContact OD2-OH 2.96Å; D276-R328 IonicContact OD2-CZ 2.75Å; D276-R328 VanDerWaalsContact OD2-CZ 3.31Å; D276-R328 IonicContact OD2-NE 3.19Å; D276-R328 PolarHBondContact OD2-NE 3.26Å; D276-R328 IonicContact OD2-NH2 3.51Å; D276-R328 PolarHBondContact OD2-NH2 2.91Å
277	N	93.1	Very high	89.4	Confident	22 Å²	22	48 Å²	48	12%	0.118	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-77.3	170.9	-178.4	60.1	-28.9	0	0	0	112.4	L275 Q348 D352 Y368	L275-N277 HydrophobicContact CB-CB 4.25Å; L275-N277 PolarHBondContact O-N 3.37Å; L275-N277 PolarHBondContact O-OD1 2.76Å; N277-Q348 PolarHBondContact OD1-NE2 2.93Å; N277-D352 PolarHBondContact ND2-OD2 2.75Å; N277-D352 PolarHBondContact OD1-OD1 3.06Å; N277-D352 VanDerWaalsContact OD1-OD1 3.1Å; N277-Y368 PolarHBondContact ND2-OH 2.83Å
278	K	89.3	Confident	88.1	Confident	185 Å²	185	49.1 Å²	49.1	80%	0.804	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-82.1	131	175.3	-65.3	-178.6	-179.6	179.7	0	109.3	Y368	K278-Y368 WeakPolarHBondContact O-CE2 3.49Å; K278-Y368 PolarHBondContact O-OH 3.14Å
279	Q	89.3	Confident	86.9	Confident	20 Å²	20	53.4 Å²	53.4	9%	0.093	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-53.9	150.8	172.9	-67	176.8	-44.6	0	0	112.3	G290 T292 V351	Q279-G290 PolarHBondContact NE2-O 2.64Å; Q279-T292 HydrophobicContact CG-CG2 3.95Å; Q279-V351 WeakPolarHBondContact CG-O 3.22Å; Q279-V351 PolarHBondContact NE2-O 3.43Å
280	Y	86.3	Confident	85.4	Confident	54 Å²	54	53.9 Å²	53.9	21%	0.212	29%	0.288	C	S	.	.	S	Bend	trans	-65.5	-44.9	172.8	177.2	-114.7	0	0	0	111.4	D352 I354 Q365 Y368	Y280-D352 PolarHBondContact N-O 2.86Å; Y280-I354 HydrophobicContact CD1-CG1 4.39Å; Y280-I354 HydrophobicContact CG-CG1 4.35Å; Y280-Q365 HydrophobicContact CD1-CB 4.42Å; Y280-Q365 HydrophobicContact CD1-CG 4.18Å; Y280-Q365 HydrophobicContact CE1-CB 3.74Å; Y280-Q365 HydrophobicContact CE1-CG 3.93Å; Y280-Q365 HydrophobicContact CE2-CB 4.23Å; Y280-Q365 PolarHBondContact OH-N 3.03Å; Y280-Y368 AromaticContact CD2-CD2 3.89Å; Y280-Y368 HydrophobicContact CD2-CD2 3.89Å; Y280-Y368 HydrophobicContact CD2-CG 4.02Å; Y280-Y368 HydrophobicContact CG-CD2 4.39Å; Y280-Y368 HydrophobicContact CG-CG 4.44Å
281	H	82.3	Confident	84.5	Confident	98 Å²	98	53.9 Å²	53.9	45%	0.454	29%	0.288	S	S	.	.	S	Bend	trans	-118.4	116.9	170.7	-71.1	-47.8	0	0	0	109.9	T283 N353	H281-T283 PolarHBondContact O-N 3.36Å; H281-N353 WeakPolarHBondContact CB-ND2 3.28Å; H281-N353 PolarHBondContact O-ND2 3.29Å
282	C	78.5	Confident	83.8	Confident	121 Å²	121	55.8 Å²	55.8	82%	0.818	30%	0.3	S	S	*	.			trans	-69.1	126.4	177.1	-172.5	0	0	0	0	109.9
283	T	73.9	Confident	83.2	Confident	53 Å²	53	56 Å²	56	33%	0.325	30%	0.301	S	S	.	.			trans	-124.9	150	175.9	36	0	0	0	0	110.2	H281 C285 G290 N353	H281-T283 PolarHBondContact O-N 3.36Å; T283-C285 PolarHBondContact O-N 3.44Å; T283-G290 PolarHBondContact OG1-O 3.03Å; T283-N353 WeakPolarHBondContact CG2-ND2 3.34Å
284	D	77.2	Confident	82.9	Confident	141 Å²	141	57.1 Å²	57.1	75%	0.754	31%	0.308	S	S	*	.			trans	-61.7	137.2	170.5	-70	-32.3	0	0	0	109.6	V286	D284-V286 VanDerWaalsContact C-N 3.25Å; D284-V286 HydrophobicContact CB-CG2 3.76Å; D284-V286 WeakPolarHBondContact O-CG2 3.4Å; D284-V286 PolarHBondContact O-N 3.21Å
285	C	76.4	Confident	82.5	Confident	27 Å²	27	58.6 Å²	58.6	18%	0.182	32%	0.316	C	S	.	.	S	Bend	trans	-77.2	76	-180	178.1	0	0	0	0	110.6	T283 C291 E295 R299	T283-C285 PolarHBondContact O-N 3.44Å; C285-C291 HydrophobicContact CB-CB 3.78Å; C285-C291 WeakPolarHBondContact CB-SG 3.42Å; C285-C291 WeakPolarHBondContact SG-CB 3.23Å; C285-C291 CovalentContact SG-SG 2.02Å; C285-C291 PolarHBondContact SG-SG 2.94Å; C285-E295 HydrophobicContact CB-CG 4.13Å; C285-R299 PolarHBondContact O-NH1 3.48Å; C285-R299 VanDerWaalsContact O-NH1 3.08Å; C285-R299 VanDerWaalsContact SG-CZ 3.6Å; C285-R299 PolarHBondContact SG-NH1 3.38Å; C285-R299 VanDerWaalsContact SG-NH1 3.38Å
286	V	74.7	Confident	82.2	Confident	116 Å²	116	58.2 Å²	58.2	70%	0.703	31%	0.314	S	S	*	.			trans	-102.8	-37.6	-178.8	-145	0	0	0	0	112.4	D284	D284-V286 VanDerWaalsContact C-N 3.25Å; D284-V286 HydrophobicContact CB-CG2 3.76Å; D284-V286 WeakPolarHBondContact O-CG2 3.4Å; D284-V286 PolarHBondContact O-N 3.21Å
287	D	74.1	Confident	82.2	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	31%	0.308	S	S	.	.	S	Bend	trans	-120.2	172	178.7	70.3	53.7	0	0	0	112.2	I289 G290 C291	D287-I289 VanDerWaalsContact C-N 3.28Å; D287-I289 PolarHBondContact O-N 3.35Å; D287-I289 PolarHBondContact OD1-N 3.24Å; D287-G290 PolarHBondContact OD1-N 3.22Å; D287-C291 WeakPolarHBondContact O-CB 3.5Å
288	T	72.6	Confident	82.3	Confident	25 Å²	25	59.7 Å²	59.7	15%	0.153	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.7	-175.5	-54.5	0	0	0	0	113.6	W134 Y135	W134-T288 HydrophobicContact CE3-CG2 4.02Å; Y135-T288 HydrophobicContact CD2-CG2 3.91Å; Y135-T288 HydrophobicContact CE2-CG2 3.88Å; Y135-T288 VanDerWaalsContact O-CG2 3.29Å; Y135-T288 WeakPolarHBondContact O-CG2 3.45Å
289	I	72.8	Confident	82.5	Confident	90 Å²	90	55.2 Å²	55.2	46%	0.462	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-38.7	-169.2	-65.4	174.5	0	0	0	111	W134 D287 C291 T350	W134-I289 HydrophobicContact CE3-CG1 4.46Å; W134-I289 HydrophobicContact CH2-CB 4.49Å; W134-I289 HydrophobicContact CH2-CG1 4.01Å; W134-I289 HydrophobicContact CH2-CG2 4.32Å; W134-I289 HydrophobicContact CZ3-CB 4.49Å; W134-I289 HydrophobicContact CZ3-CG1 3.95Å; D287-I289 VanDerWaalsContact C-N 3.28Å; D287-I289 PolarHBondContact O-N 3.35Å; D287-I289 PolarHBondContact OD1-N 3.24Å; I289-C291 VanDerWaalsContact C-N 3.32Å; I289-C291 PolarHBondContact O-N 3.09Å; I289-T350 HydrophobicContact CG2-CG2 3.38Å
290	G	68	Low	82.8	Confident	10 Å²	10	54.3 Å²	54.3	10%	0.103	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.3	179.7	0	0	0	0	0	114.4	Q279 T283 D287	Q279-G290 PolarHBondContact NE2-O 2.64Å; T283-G290 PolarHBondContact OG1-O 3.03Å; D287-G290 PolarHBondContact OD1-N 3.22Å
291	C	79.9	Confident	83.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-82.6	140.8	177.7	-168.1	0	0	0	0	111.9	F137 C285 D287 I289 T296	F137-C291 HydrophobicContact CE1-CB 4.41Å; F137-C291 HydrophobicContact CZ-CB 4.16Å; C285-C291 HydrophobicContact CB-CB 3.78Å; C285-C291 WeakPolarHBondContact CB-SG 3.42Å; C285-C291 WeakPolarHBondContact SG-CB 3.23Å; C285-C291 CovalentContact SG-SG 2.02Å; C285-C291 PolarHBondContact SG-SG 2.94Å; D287-C291 WeakPolarHBondContact O-CB 3.5Å; I289-C291 VanDerWaalsContact C-N 3.32Å; I289-C291 PolarHBondContact O-N 3.09Å; C291-T296 VanDerWaalsContact CB-OG1 3.28Å; C291-T296 WeakPolarHBondContact CB-OG1 3.33Å; C291-T296 PolarHBondContact SG-OG1 3.4Å
292	T	83.8	Confident	83.8	Confident	39 Å²	39	57 Å²	57	24%	0.239	30%	0.304	C	S	.	.			trans	-57.4	148.6	174	68.7	0	0	0	0	110.8	Q279 T294 E295 T296	Q279-T292 HydrophobicContact CG-CG2 3.95Å; T292-T294 VanDerWaalsContact C-N 3.26Å; T292-T294 PolarHBondContact O-N 3.02Å; T292-E295 PolarHBondContact O-N 3.34Å; T292-E295 VanDerWaalsContact OG1-CB 3.22Å; T292-E295 WeakPolarHBondContact OG1-CB 3.31Å; T292-E295 PolarHBondContact OG1-N 3.04Å; T292-E295 VanDerWaalsContact OG1-N 3.14Å; T292-T296 WeakPolarHBondContact O-CB 3.22Å; T292-T296 PolarHBondContact O-N 3.45Å; T292-T296 PolarHBondContact O-OG1 3.35Å
293	P	86.6	Confident	84.6	Confident	6 Å²	6	53 Å²	53	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-52	-46	175.6	-27.6	34.6	0	0	0	112.4	T296 I297 F325 V351	P293-T296 PolarHBondContact O-N 2.83Å; P293-I297 WeakPolarHBondContact O-CG1 3.48Å; P293-I297 PolarHBondContact O-N 2.98Å; P293-I297 VanDerWaalsContact O-N 3.07Å; P293-F325 HydrophobicContact CB-CE1 3.87Å; P293-F325 HydrophobicContact CB-CZ 3.96Å; P293-V351 HydrophobicContact CG-CB 4.04Å; P293-V351 HydrophobicContact CG-CG2 3.6Å
294	T	90.8	Very high	85.7	Confident	26 Å²	26	50.4 Å²	50.4	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-50.9	-177.6	-55	0	0	0	0	112.8	D276 T292 T296 I297 K298 W321	D276-T294 WeakPolarHBondContact CB-OG1 3.38Å; T292-T294 VanDerWaalsContact C-N 3.26Å; T292-T294 PolarHBondContact O-N 3.02Å; T294-T296 VanDerWaalsContact C-N 3.3Å; T294-T296 PolarHBondContact O-N 3.35Å; T294-I297 PolarHBondContact O-N 2.96Å; T294-K298 HydrophobicContact CG2-CD 4.11Å; T294-K298 WeakPolarHBondContact O-CB 3.18Å; T294-K298 VanDerWaalsContact O-CG 3.31Å; T294-K298 WeakPolarHBondContact O-CG 3.46Å; T294-K298 PolarHBondContact O-N 2.78Å; T294-W321 HydrophobicContact CG2-CD2 4.35Å; T294-W321 HydrophobicContact CG2-CE3 3.84Å; T294-W321 HydrophobicContact CG2-CH2 3.85Å; T294-W321 HydrophobicContact CG2-CZ2 4.35Å; T294-W321 HydrophobicContact CG2-CZ3 3.58Å
295	E	91	Very high	86.6	Confident	64 Å²	64	45 Å²	45	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-65.7	-37.9	-178.4	-178.4	60.7	-167.6	0	0	111.3	C285 T292 K298 R299	C285-E295 HydrophobicContact CB-CG 4.13Å; T292-E295 PolarHBondContact O-N 3.34Å; T292-E295 VanDerWaalsContact OG1-CB 3.22Å; T292-E295 WeakPolarHBondContact OG1-CB 3.31Å; T292-E295 PolarHBondContact OG1-N 3.04Å; T292-E295 VanDerWaalsContact OG1-N 3.14Å; E295-K298 PolarHBondContact O-N 3.4Å; E295-R299 WeakPolarHBondContact O-CG 3.5Å; E295-R299 PolarHBondContact O-N 2.96Å; E295-R299 IonicContact OE1-CZ 2.67Å; E295-R299 VanDerWaalsContact OE1-CZ 3.27Å; E295-R299 IonicContact OE1-NE 3.27Å; E295-R299 PolarHBondContact OE1-NE 2.02Å; E295-R299 IonicContact OE1-NH2 2.6Å; E295-R299 PolarHBondContact OE1-NH2 2.68Å
296	T	90.1	Very high	87.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-51.9	176	-59.7	0	0	0	0	111.5	Y135 F137 C291 T292 P293 T294 K298 R299 G300	Y135-T296 HydrophobicContact CD2-CG2 3.75Å; Y135-T296 HydrophobicContact CE2-CG2 3.09Å; F137-T296 HydrophobicContact CD1-CG2 3.3Å; F137-T296 HydrophobicContact CE1-CG2 3.6Å; F137-T296 HydrophobicContact CG-CG2 4.16Å; C291-T296 VanDerWaalsContact CB-OG1 3.28Å; C291-T296 WeakPolarHBondContact CB-OG1 3.33Å; C291-T296 PolarHBondContact SG-OG1 3.4Å; T292-T296 WeakPolarHBondContact O-CB 3.22Å; T292-T296 PolarHBondContact O-N 3.45Å; T292-T296 PolarHBondContact O-OG1 3.35Å; P293-T296 PolarHBondContact O-N 2.83Å; T294-T296 VanDerWaalsContact C-N 3.3Å; T294-T296 PolarHBondContact O-N 3.35Å; T296-K298 PolarHBondContact O-N 3.14Å; T296-R299 PolarHBondContact O-N 2.88Å; T296-G300 PolarHBondContact O-N 3.08Å
297	I	95.3	Very high	88.6	Confident	10 Å²	10	41 Å²	41	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-37.9	-179.6	-61.4	-52.6	0	0	0	111.1	P293 T294 R299 G300 I301 W304 W321 F324 F325	P293-I297 WeakPolarHBondContact O-CG1 3.48Å; P293-I297 PolarHBondContact O-N 2.98Å; P293-I297 VanDerWaalsContact O-N 3.07Å; T294-I297 PolarHBondContact O-N 2.96Å; I297-R299 VanDerWaalsContact C-N 3.3Å; I297-R299 PolarHBondContact O-N 3.35Å; I297-G300 PolarHBondContact O-N 2.87Å; I297-I301 HydrophobicContact CG2-CD1 3.88Å; I297-I301 HydrophobicContact CG2-CG1 4.04Å; I297-I301 WeakPolarHBondContact O-CG1 3.28Å; I297-I301 PolarHBondContact O-N 3.2Å; I297-W304 HydrophobicContact CD1-CH2 4.34Å; I297-W304 HydrophobicContact CD1-CZ3 4.4Å; I297-W321 HydrophobicContact CB-CB 4.39Å; I297-W321 HydrophobicContact CG2-CB 3.67Å; I297-F324 HydrophobicContact CD1-CB 4.41Å; I297-F324 HydrophobicContact CD1-CD1 3.79Å; I297-F324 HydrophobicContact CD1-CE1 4.37Å; I297-F324 HydrophobicContact CD1-CG 4.28Å; I297-F324 HydrophobicContact CG1-CB 4.19Å; I297-F324 HydrophobicContact CG1-CD1 4.4Å; I297-F324 HydrophobicContact CG1-CG 4.4Å; I297-F324 HydrophobicContact CG2-CB 3.8Å; I297-F324 HydrophobicContact CG2-CD1 3.96Å; I297-F324 HydrophobicContact CG2-CD2 3.63Å; I297-F324 HydrophobicContact CG2-CE1 4.43Å; I297-F324 HydrophobicContact CG2-CE2 4.17Å; I297-F324 HydrophobicContact CG2-CG 3.51Å; I297-F325 HydrophobicContact CG1-CZ 4.47Å
298	K	95.4	Very high	89.7	Confident	76 Å²	76	36.9 Å²	36.9	33%	0.33	19%	0.187	S	C	.	.	H	α-helix	trans	-57.7	-41.4	175.4	-80	178.8	175.3	-175.8	0	112.6	T294 E295 T296 W321	T294-K298 HydrophobicContact CG2-CD 4.11Å; T294-K298 WeakPolarHBondContact O-CB 3.18Å; T294-K298 VanDerWaalsContact O-CG 3.31Å; T294-K298 WeakPolarHBondContact O-CG 3.46Å; T294-K298 PolarHBondContact O-N 2.78Å; E295-K298 PolarHBondContact O-N 3.4Å; T296-K298 PolarHBondContact O-N 3.14Å; K298-W321 HydrophobicContact CD-CG 4.48Å; K298-W321 HydrophobicContact CG-CB 4.02Å; K298-W321 HydrophobicContact CG-CD2 4.05Å; K298-W321 HydrophobicContact CG-CG 3.6Å
299	R	94.3	Very high	90.9	Very high	92 Å²	92	36.2 Å²	36.2	35%	0.347	18%	0.184	S	C	.	.	H	α-helix	trans	-72.1	-46.1	174.1	-67.7	179.7	-174.2	-173	4.6	111.3	F137 C285 E295 T296 I297 I301 K302 Y303	F137-R299 HydrophobicContact CB-CB 4.26Å; F137-R299 HydrophobicContact CD2-CB 3.9Å; F137-R299 HydrophobicContact CG-CB 4.35Å; C285-R299 PolarHBondContact O-NH1 3.48Å; C285-R299 VanDerWaalsContact O-NH1 3.08Å; C285-R299 VanDerWaalsContact SG-CZ 3.6Å; C285-R299 PolarHBondContact SG-NH1 3.38Å; C285-R299 VanDerWaalsContact SG-NH1 3.38Å; E295-R299 WeakPolarHBondContact O-CG 3.5Å; E295-R299 PolarHBondContact O-N 2.96Å; E295-R299 IonicContact OE1-CZ 2.67Å; E295-R299 VanDerWaalsContact OE1-CZ 3.27Å; E295-R299 IonicContact OE1-NE 3.27Å; E295-R299 PolarHBondContact OE1-NE 2.02Å; E295-R299 IonicContact OE1-NH2 2.6Å; E295-R299 PolarHBondContact OE1-NH2 2.68Å; T296-R299 PolarHBondContact O-N 2.88Å; I297-R299 VanDerWaalsContact C-N 3.3Å; I297-R299 PolarHBondContact O-N 3.35Å; R299-I301 PolarHBondContact O-N 2.61Å; R299-K302 PolarHBondContact O-N 2.87Å; R299-Y303 PolarHBondContact O-N 2.87Å; R299-Y303 VanDerWaalsContact O-N 3.12Å
300	G	95.1	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-51.3	-178.2	0	0	0	0	0	112.9	T296 I297 K302 Y303 W304	T296-G300 PolarHBondContact O-N 3.08Å; I297-G300 PolarHBondContact O-N 2.87Å; G300-K302 PolarHBondContact O-N 3.3Å; G300-K302 VanDerWaalsContact O-N 3.16Å; G300-Y303 PolarHBondContact O-N 3.26Å; G300-W304 VanDerWaalsContact C-CD2 3.41Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.86Å
301	I	95.6	Very high	93.3	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-54	-42.4	-178.1	-76	-178.8	0	0	0	112.6	I297 R299 G305 S306 E320 W321 F324	I297-I301 HydrophobicContact CG2-CD1 3.88Å; I297-I301 HydrophobicContact CG2-CG1 4.04Å; I297-I301 WeakPolarHBondContact O-CG1 3.28Å; I297-I301 PolarHBondContact O-N 3.2Å; R299-I301 PolarHBondContact O-N 2.61Å; I301-G305 PolarHBondContact O-N 3.38Å; I301-G305 VanDerWaalsContact O-N 3.15Å; I301-S306 WeakPolarHBondContact CA-OG 3.33Å; I301-S306 PolarHBondContact O-N 2.88Å; I301-E320 HydrophobicContact CD1-CB 4.35Å; I301-W321 HydrophobicContact CD1-CB 3.78Å; I301-W321 VanDerWaalsContact CD1-N 3.27Å; I301-F324 HydrophobicContact CD1-CD2 3.79Å; I301-F324 HydrophobicContact CD1-CE2 3.36Å; I301-F324 HydrophobicContact CD1-CZ 4.18Å; I301-F324 HydrophobicContact CG1-CD2 4.26Å; I301-F324 HydrophobicContact CG1-CE2 3.49Å; I301-F324 VanDerWaalsContact CG1-CE2 3.49Å; I301-F324 HydrophobicContact CG1-CZ 3.79Å
302	K	94.4	Very high	94.2	Very high	183 Å²	183	41.3 Å²	41.3	80%	0.796	20%	0.2	S	C	*	.	H	α-helix	trans	-69.2	-42.8	178.8	-65.5	178.4	-179.1	178.4	0	111.1	R299 G300	R299-K302 PolarHBondContact O-N 2.87Å; G300-K302 PolarHBondContact O-N 3.3Å; G300-K302 VanDerWaalsContact O-N 3.16Å
303	Y	94.7	Very high	94.8	Very high	37 Å²	37	44 Å²	44	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-72.1	-36.2	-176.8	-169.6	-126.9	0	0	0	113.1	F137 K139 N204 F208 R299 G300	F137-Y303 VanDerWaalsContact C-CD1 3.4Å; F137-Y303 WeakPolarHBondContact O-CD1 3.41Å; K139-Y303 WeakPolarHBondContact CA-OH 3.39Å; K139-Y303 PolarHBondContact N-OH 3.37Å; N204-Y303 PolarHBondContact O-OH 2.82Å; F208-Y303 HydrophobicContact CE1-CD1 4.44Å; F208-Y303 HydrophobicContact CE1-CE1 4.29Å; F208-Y303 AromaticContact CE2-CD1 3.84Å; F208-Y303 HydrophobicContact CE2-CD1 3.84Å; F208-Y303 AromaticContact CE2-CE1 3.6Å; F208-Y303 HydrophobicContact CE2-CE1 3.6Å; F208-Y303 HydrophobicContact CE2-CG 4.41Å; F208-Y303 AromaticContact CE2-CZ 3.95Å; F208-Y303 AromaticContact CZ-CD1 3.67Å; F208-Y303 HydrophobicContact CZ-CD1 3.67Å; F208-Y303 AromaticContact CZ-CE1 3.27Å; F208-Y303 HydrophobicContact CZ-CE1 3.27Å; F208-Y303 AromaticContact CZ-CZ 3.96Å; R299-Y303 PolarHBondContact O-N 2.87Å; R299-Y303 VanDerWaalsContact O-N 3.12Å; G300-Y303 PolarHBondContact O-N 3.26Å
304	W	96.7	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-84.1	-16.8	-179.1	-53.2	-29.2	0	0	0	113.1	Y135 C136 F137 D192 V193 T198 F208 I297 G300 F324	Y135-W304 HydrophobicContact CG-CH2 4.22Å; Y135-W304 HydrophobicContact CG-CZ2 4.35Å; C136-W304 VanDerWaalsContact O-CE2 3.31Å; C136-W304 WeakPolarHBondContact O-CZ2 3.46Å; C136-W304 PolarHBondContact O-NE1 3.03Å; F137-W304 HydrophobicContact CB-CZ2 4.13Å; D192-W304 HydrophobicContact CB-CB 3.96Å; D192-W304 HydrophobicContact CB-CD2 3.81Å; D192-W304 HydrophobicContact CB-CE3 4.26Å; D192-W304 HydrophobicContact CB-CG 3.65Å; V193-W304 HydrophobicContact CG2-CH2 3.95Å; V193-W304 HydrophobicContact CG2-CZ3 4.02Å; T198-W304 WeakPolarHBondContact CB-O 3.4Å; T198-W304 PolarHBondContact OG1-O 2.93Å; F208-W304 HydrophobicContact CB-CB 3.93Å; F208-W304 HydrophobicContact CB-CG 4.39Å; F208-W304 AromaticContact CD1-CD1 3.3Å; F208-W304 HydrophobicContact CD1-CG 4.12Å; F208-W304 AromaticContact CD1-NE1 3.93Å; F208-W304 AromaticContact CE1-CD1 3.53Å; F208-W304 AromaticContact CE1-NE1 3.82Å; F208-W304 HydrophobicContact CG-CB 4.15Å; F208-W304 AromaticContact CG-CD1 3.59Å; F208-W304 HydrophobicContact CG-CG 4.19Å; I297-W304 HydrophobicContact CD1-CH2 4.34Å; I297-W304 HydrophobicContact CD1-CZ3 4.4Å; G300-W304 VanDerWaalsContact C-CD2 3.41Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.86Å; W304-F324 HydrophobicContact CE3-CE1 4.48Å; W304-F324 AromaticContact CZ3-CE1 3.94Å; W304-F324 HydrophobicContact CZ3-CE1 3.94Å; W304-F324 HydrophobicContact CZ3-CZ 4.36Å
305	G	95.8	Very high	95.5	Very high	26 Å²	26	53.4 Å²	53.4	27%	0.268	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	54.2	-165.9	0	0	0	0	0	109.9	V197 T198 I301	V197-G305 WeakPolarHBondContact CG2-O 3.42Å; V197-G305 PolarHBondContact N-O 3.17Å; T198-G305 WeakPolarHBondContact OG1-CA 3.45Å; T198-G305 PolarHBondContact OG1-N 2.99Å; I301-G305 PolarHBondContact O-N 3.38Å; I301-G305 VanDerWaalsContact O-N 3.15Å
306	S	97	Very high	95.7	Very high	22 Å²	22	52.5 Å²	52.5	15%	0.154	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-68.4	148	-171.6	-65.1	0	0	0	0	113.3	S195 I301	S195-S306 WeakPolarHBondContact O-CA 3.35Å; S195-S306 WeakPolarHBondContact OG-CB 3.38Å; S195-S306 PolarHBondContact OG-OG 3.35Å; I301-S306 WeakPolarHBondContact CA-OG 3.33Å; I301-S306 PolarHBondContact O-N 2.88Å
307	V	97.1	Very high	95.9	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.236	29%	0.291	C	S	.	.			trans	-113.9	132	165.2	-66.8	0	0	0	0	110.2	S195 V197 R250	S195-V307 WeakPolarHBondContact O-CG2 3.3Å; S195-V307 PolarHBondContact O-N 3.19Å; V197-V307 HydrophobicContact CG1-CG1 4.02Å; V197-V307 HydrophobicContact CG1-CG2 3.65Å; V197-V307 HydrophobicContact CG2-CG1 4.01Å; R250-V307 PolarHBondContact NH2-O 2.86Å
308	V	97.7	Very high	95.8	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.024	32%	0.319	C	S	.	.			trans	-112.3	165	176.3	-57.5	0	0	0	0	110	L246 R250 D310 R313 E320 C323 F324	L246-V308 HydrophobicContact CD2-CB 4.38Å; L246-V308 HydrophobicContact CD2-CG1 4.21Å; R250-V308 PolarHBondContact NH2-O 3.33Å; V308-D310 PolarHBondContact O-N 3.31Å; V308-R313 HydrophobicContact CG2-CB 3.84Å; V308-R313 HydrophobicContact CG2-CG 4.44Å; V308-E320 HydrophobicContact CG2-CB 4.08Å; V308-E320 HydrophobicContact CG2-CG 4.26Å; V308-C323 HydrophobicContact CB-CB 3.7Å; V308-C323 HydrophobicContact CG1-CB 3.9Å; V308-C323 HydrophobicContact CG2-CB 4.01Å; V308-F324 HydrophobicContact CG1-CD2 4.1Å; V308-F324 HydrophobicContact CG1-CE2 3.54Å; V308-F324 HydrophobicContact CG1-CZ 4.5Å
309	P	97.5	Very high	95.9	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.078	33%	0.325	C	S	.	.			trans	-54.8	132.6	176.8	-27.7	36.4	0	0	0	111.9	R311 C312 R313 V329	P309-R311 VanDerWaalsContact C-N 3.29Å; P309-R311 PolarHBondContact O-N 3.19Å; P309-C312 HydrophobicContact CB-CB 4.29Å; P309-C312 WeakPolarHBondContact O-CB 3.37Å; P309-C312 PolarHBondContact O-N 2.99Å; P309-R313 PolarHBondContact O-N 2.77Å; P309-V329 HydrophobicContact CG-CG2 3.9Å
310	D	95.3	Very high	96	Very high	77 Å²	77	62.3 Å²	62.3	41%	0.412	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-39.2	-170.5	-76.4	-23.3	0	0	0	113	V308 C312 R313 Q314	V308-D310 PolarHBondContact O-N 3.31Å; D310-C312 VanDerWaalsContact C-N 3.34Å; D310-C312 PolarHBondContact O-N 2.9Å; D310-R313 WeakPolarHBondContact O-CB 3.49Å; D310-R313 PolarHBondContact O-N 2.89Å; D310-R313 IonicContact OD1-CZ 3.09Å; D310-R313 IonicContact OD1-NH1 2.76Å; D310-R313 PolarHBondContact OD1-NH1 2.87Å; D310-R313 IonicContact OD1-NH2 2.78Å; D310-R313 PolarHBondContact OD1-NH2 2.79Å; D310-Q314 VanDerWaalsContact O-CG 3.27Å; D310-Q314 WeakPolarHBondContact O-CG 3.5Å; D310-Q314 PolarHBondContact O-N 2.95Å
311	R	96.4	Very high	96.1	Very high	127 Å²	127	63.8 Å²	63.8	48%	0.479	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-38	176.5	-71.3	-179.6	171.4	-172.4	-2.1	112.5	P309 S315 S332 K334	P309-R311 VanDerWaalsContact C-N 3.29Å; P309-R311 PolarHBondContact O-N 3.19Å; R311-S315 PolarHBondContact O-N 3.48Å; R311-S315 PolarHBondContact O-OG 2.68Å; R311-S332 VanDerWaalsContact CD-O 3.3Å; R311-S332 WeakPolarHBondContact CD-O 3.01Å; R311-K334 VanDerWaalsContact NE-CE 3.34Å
312	C	97.9	Very high	96.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-69.3	-42.8	175.2	-173.4	0	0	0	0	111	P309 D310 Q314 S315 H316 C323 V329 S332	P309-C312 HydrophobicContact CB-CB 4.29Å; P309-C312 WeakPolarHBondContact O-CB 3.37Å; P309-C312 PolarHBondContact O-N 2.99Å; D310-C312 VanDerWaalsContact C-N 3.34Å; D310-C312 PolarHBondContact O-N 2.9Å; C312-Q314 VanDerWaalsContact C-N 3.29Å; C312-Q314 PolarHBondContact O-N 3.09Å; C312-S315 PolarHBondContact O-N 3.12Å; C312-S315 VanDerWaalsContact O-N 3.13Å; C312-H316 PolarHBondContact O-CD2 3.02Å; C312-H316 PolarHBondContact O-N 3.38Å; C312-H316 VanDerWaalsContact O-N 3.12Å; C312-C323 HydrophobicContact CB-CB 3.93Å; C312-C323 WeakPolarHBondContact CB-SG 3.4Å; C312-C323 WeakPolarHBondContact SG-CA 3.44Å; C312-C323 WeakPolarHBondContact SG-CB 3.38Å; C312-C323 CovalentContact SG-SG 2.03Å; C312-C323 PolarHBondContact SG-SG 2.92Å; C312-V329 HydrophobicContact CB-CG2 4.08Å; C312-S332 WeakPolarHBondContact CB-OG 3.36Å
313	R	96.8	Very high	96.4	Very high	96 Å²	96	54 Å²	54	36%	0.362	28%	0.282	S	S	.	.	H	α-helix	trans	-55.1	-45.8	174.8	-174.2	175.9	69.3	-128.3	-9.7	111.4	V308 P309 D310 S315 H316 E317 E320	V308-R313 HydrophobicContact CG2-CB 3.84Å; V308-R313 HydrophobicContact CG2-CG 4.44Å; P309-R313 PolarHBondContact O-N 2.77Å; D310-R313 WeakPolarHBondContact O-CB 3.49Å; D310-R313 PolarHBondContact O-N 2.89Å; D310-R313 IonicContact OD1-CZ 3.09Å; D310-R313 IonicContact OD1-NH1 2.76Å; D310-R313 PolarHBondContact OD1-NH1 2.87Å; D310-R313 IonicContact OD1-NH2 2.78Å; D310-R313 PolarHBondContact OD1-NH2 2.79Å; R313-S315 VanDerWaalsContact C-N 3.3Å; R313-S315 PolarHBondContact O-N 3.13Å; R313-H316 CarbonylContact O-C 3.26Å; R313-H316 VanDerWaalsContact O-C 3.26Å; R313-H316 PolarHBondContact O-N 2.9Å; R313-H316 VanDerWaalsContact O-N 3.16Å; R313-E317 WeakPolarHBondContact O-CA 3.22Å; R313-E317 PolarHBondContact O-N 3.04Å; R313-E320 HydrophobicContact CG-CG 3.79Å
314	Q	96.1	Very high	96.6	Very high	141 Å²	141	52.5 Å²	52.5	66%	0.659	28%	0.277	S	S	*	.	H	α-helix	trans	-62.7	-34.6	179.2	-72.9	167.6	6.4	0	0	112.9	D310 C312 H316	D310-Q314 VanDerWaalsContact O-CG 3.27Å; D310-Q314 WeakPolarHBondContact O-CG 3.5Å; D310-Q314 PolarHBondContact O-N 2.95Å; C312-Q314 VanDerWaalsContact C-N 3.29Å; C312-Q314 PolarHBondContact O-N 3.09Å; Q314-H316 VanDerWaalsContact C-N 3.32Å
315	S	96.3	Very high	96.7	Very high	88 Å²	88	52.7 Å²	52.7	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-77.2	-17.5	176.7	-61.6	0	0	0	0	113.9	R311 C312 R313	R311-S315 PolarHBondContact O-N 3.48Å; R311-S315 PolarHBondContact O-OG 2.68Å; C312-S315 PolarHBondContact O-N 3.12Å; C312-S315 VanDerWaalsContact O-N 3.13Å; R313-S315 VanDerWaalsContact C-N 3.3Å; R313-S315 PolarHBondContact O-N 3.13Å
316	H	94.8	Very high	96.8	Very high	45 Å²	45	51.5 Å²	51.5	21%	0.208	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	43.9	-173.8	-62.8	-64.4	0	0	0	111.6	C312 R313 Q314 G318 E319 E320 N322	C312-H316 PolarHBondContact O-CD2 3.02Å; C312-H316 PolarHBondContact O-N 3.38Å; C312-H316 VanDerWaalsContact O-N 3.12Å; R313-H316 CarbonylContact O-C 3.26Å; R313-H316 VanDerWaalsContact O-C 3.26Å; R313-H316 PolarHBondContact O-N 2.9Å; R313-H316 VanDerWaalsContact O-N 3.16Å; Q314-H316 VanDerWaalsContact C-N 3.32Å; H316-G318 PolarHBondContact O-N 3.47Å; H316-E319 CarbonylContact O-C 3.6Å; H316-E319 VanDerWaalsContact O-C 3.22Å; H316-E319 WeakPolarHBondContact O-CA 3.44Å; H316-E319 PolarHBondContact O-N 3.09Å; H316-E320 PolarHBondContact O-N 3.34Å; H316-N322 HydrophobicContact CB-CB 4.04Å
317	E	94.2	Very high	96.8	Very high	174 Å²	174	53.4 Å²	53.4	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	125.4	-177	-172.2	174.1	-169.4	0	0	111.4	R313 E319	R313-E317 WeakPolarHBondContact O-CA 3.22Å; R313-E317 PolarHBondContact O-N 3.04Å; E317-E319 PolarHBondContact O-N 3.42Å
318	G	93.1	Very high	96.9	Very high	61 Å²	61	55.1 Å²	55.1	63%	0.629	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-5.9	-175.8	0	0	0	0	0	115	H316 E320	H316-G318 PolarHBondContact O-N 3.47Å; G318-E320 PolarHBondContact N-OE1 3.19Å
319	E	96.3	Very high	96.9	Very high	96 Å²	96	55 Å²	55	45%	0.449	27%	0.27	S	S	.	.			trans	-131.4	45	176.4	-64.9	-155.3	117.6	0	0	111.7	H316 E317 W321 N322	H316-E319 CarbonylContact O-C 3.6Å; H316-E319 VanDerWaalsContact O-C 3.22Å; H316-E319 WeakPolarHBondContact O-CA 3.44Å; H316-E319 PolarHBondContact O-N 3.09Å; E317-E319 PolarHBondContact O-N 3.42Å; E319-W321 PolarHBondContact O-N 3.36Å; E319-N322 VanDerWaalsContact CB-ND2 3.29Å; E319-N322 WeakPolarHBondContact CB-ND2 3.41Å; E319-N322 WeakPolarHBondContact O-CB 3.4Å; E319-N322 PolarHBondContact O-N 3.22Å; E319-N322 PolarHBondContact O-ND2 3.21Å
320	E	97.4	Very high	96.9	Very high	53 Å²	53	56.1 Å²	56.1	25%	0.248	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.8	-16.7	-174	-65.5	80.8	-175.4	0	0	113.7	I301 V308 R313 H316 G318 N322 C323	I301-E320 HydrophobicContact CD1-CB 4.35Å; V308-E320 HydrophobicContact CG2-CB 4.08Å; V308-E320 HydrophobicContact CG2-CG 4.26Å; R313-E320 HydrophobicContact CG-CG 3.79Å; H316-E320 PolarHBondContact O-N 3.34Å; G318-E320 PolarHBondContact N-OE1 3.19Å; E320-N322 PolarHBondContact O-N 2.72Å; E320-C323 VanDerWaalsContact O-CB 3.3Å; E320-C323 WeakPolarHBondContact O-CB 3.47Å; E320-C323 PolarHBondContact O-N 3.23Å
321	W	97.2	Very high	97.1	Very high	31 Å²	31	57.5 Å²	57.5	12%	0.117	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.4	-27.1	170.7	64.9	-92.4	0	0	0	113.2	T294 I297 K298 I301 E319 C323 F324 F325	T294-W321 HydrophobicContact CG2-CD2 4.35Å; T294-W321 HydrophobicContact CG2-CE3 3.84Å; T294-W321 HydrophobicContact CG2-CH2 3.85Å; T294-W321 HydrophobicContact CG2-CZ2 4.35Å; T294-W321 HydrophobicContact CG2-CZ3 3.58Å; I297-W321 HydrophobicContact CB-CB 4.39Å; I297-W321 HydrophobicContact CG2-CB 3.67Å; K298-W321 HydrophobicContact CD-CG 4.48Å; K298-W321 HydrophobicContact CG-CB 4.02Å; K298-W321 HydrophobicContact CG-CD2 4.05Å; K298-W321 HydrophobicContact CG-CG 3.6Å; I301-W321 HydrophobicContact CD1-CB 3.78Å; I301-W321 VanDerWaalsContact CD1-N 3.27Å; E319-W321 PolarHBondContact O-N 3.36Å; W321-C323 PolarHBondContact O-N 2.82Å; W321-F324 PolarHBondContact O-N 2.9Å; W321-F325 HydrophobicContact CE3-CD2 4.32Å; W321-F325 AromaticContact CE3-CE2 3.81Å; W321-F325 HydrophobicContact CE3-CE2 3.81Å; W321-F325 HydrophobicContact CZ3-CD2 4.42Å; W321-F325 HydrophobicContact CZ3-CE2 4.05Å
322	N	98	Very high	97.1	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-55.4	-33.6	172.3	-79.3	-72.3	0	0	0	112	H316 E319 E320 F324 F325 R328	H316-N322 HydrophobicContact CB-CB 4.04Å; E319-N322 VanDerWaalsContact CB-ND2 3.29Å; E319-N322 WeakPolarHBondContact CB-ND2 3.41Å; E319-N322 WeakPolarHBondContact O-CB 3.4Å; E319-N322 PolarHBondContact O-N 3.22Å; E319-N322 PolarHBondContact O-ND2 3.21Å; E320-N322 PolarHBondContact O-N 2.72Å; N322-F324 PolarHBondContact O-N 2.79Å; N322-F324 VanDerWaalsContact O-N 3.17Å; N322-F325 PolarHBondContact O-N 3Å; N322-R328 WeakPolarHBondContact O-CB 3.09Å; N322-R328 WeakPolarHBondContact O-CD 3.5Å; N322-R328 VanDerWaalsContact OD1-CD 3.23Å; N322-R328 WeakPolarHBondContact OD1-CD 3.39Å; N322-R328 VanDerWaalsContact OD1-CZ 3.28Å; N322-R328 PolarHBondContact OD1-NE 3.24Å; N322-R328 PolarHBondContact OD1-NH1 3.48Å
323	C	98.4	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-73.1	-5.3	-175.8	-60.3	0	0	0	0	114.8	L246 V308 C312 E320 W321 V329	L246-C323 VanDerWaalsContact CD2-O 3.25Å; L246-C323 WeakPolarHBondContact CD2-O 3.49Å; V308-C323 HydrophobicContact CB-CB 3.7Å; V308-C323 HydrophobicContact CG1-CB 3.9Å; V308-C323 HydrophobicContact CG2-CB 4.01Å; C312-C323 HydrophobicContact CB-CB 3.93Å; C312-C323 WeakPolarHBondContact CB-SG 3.4Å; C312-C323 WeakPolarHBondContact SG-CA 3.44Å; C312-C323 WeakPolarHBondContact SG-CB 3.38Å; C312-C323 CovalentContact SG-SG 2.03Å; C312-C323 PolarHBondContact SG-SG 2.92Å; E320-C323 VanDerWaalsContact O-CB 3.3Å; E320-C323 WeakPolarHBondContact O-CB 3.47Å; E320-C323 PolarHBondContact O-N 3.23Å; W321-C323 PolarHBondContact O-N 2.82Å; C323-V329 HydrophobicContact CB-CG2 4.45Å; C323-V329 VanDerWaalsContact O-CB 3.29Å; C323-V329 WeakPolarHBondContact O-CB 3.47Å
324	F	98.5	Very high	97.1	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-85.9	-12	173.4	-77	-113.6	0	0	0	112.5	V193 S195 T242 L246 I297 I301 W304 V308 W321 N322	V193-F324 HydrophobicContact CB-CD1 4.41Å; V193-F324 HydrophobicContact CB-CE1 4.06Å; V193-F324 HydrophobicContact CG1-CD1 4.45Å; V193-F324 HydrophobicContact CG2-CE1 4.43Å; S195-F324 WeakPolarHBondContact OG-CZ 3.1Å; T242-F324 HydrophobicContact CG2-CD1 4.5Å; T242-F324 WeakPolarHBondContact CG2-O 3.26Å; L246-F324 HydrophobicContact CD1-CD1 3.92Å; L246-F324 HydrophobicContact CD1-CE1 3.75Å; L246-F324 HydrophobicContact CD1-CE2 4.38Å; L246-F324 HydrophobicContact CD1-CG 4.36Å; L246-F324 HydrophobicContact CD1-CZ 4Å; L246-F324 HydrophobicContact CD2-CD2 4.43Å; I297-F324 HydrophobicContact CD1-CB 4.41Å; I297-F324 HydrophobicContact CD1-CD1 3.79Å; I297-F324 HydrophobicContact CD1-CE1 4.37Å; I297-F324 HydrophobicContact CD1-CG 4.28Å; I297-F324 HydrophobicContact CG1-CB 4.19Å; I297-F324 HydrophobicContact CG1-CD1 4.4Å; I297-F324 HydrophobicContact CG1-CG 4.4Å; I297-F324 HydrophobicContact CG2-CB 3.8Å; I297-F324 HydrophobicContact CG2-CD1 3.96Å; I297-F324 HydrophobicContact CG2-CD2 3.63Å; I297-F324 HydrophobicContact CG2-CE1 4.43Å; I297-F324 HydrophobicContact CG2-CE2 4.17Å; I297-F324 HydrophobicContact CG2-CG 3.51Å; I301-F324 HydrophobicContact CD1-CD2 3.79Å; I301-F324 HydrophobicContact CD1-CE2 3.36Å; I301-F324 HydrophobicContact CD1-CZ 4.18Å; I301-F324 HydrophobicContact CG1-CD2 4.26Å; I301-F324 HydrophobicContact CG1-CE2 3.49Å; I301-F324 VanDerWaalsContact CG1-CE2 3.49Å; I301-F324 HydrophobicContact CG1-CZ 3.79Å; W304-F324 HydrophobicContact CE3-CE1 4.48Å; W304-F324 AromaticContact CZ3-CE1 3.94Å; W304-F324 HydrophobicContact CZ3-CE1 3.94Å; W304-F324 HydrophobicContact CZ3-CZ 4.36Å; V308-F324 HydrophobicContact CG1-CD2 4.1Å; V308-F324 HydrophobicContact CG1-CE2 3.54Å; V308-F324 HydrophobicContact CG1-CZ 4.5Å; W321-F324 PolarHBondContact O-N 2.9Å; N322-F324 PolarHBondContact O-N 2.79Å; N322-F324 VanDerWaalsContact O-N 3.17Å
325	F	98.4	Very high	97.2	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	25%	0.252	C	S	.	.	S	Bend	trans	-95.7	123.1	179.3	-63.1	-82.1	0	0	0	109.9	F274 D276 P293 I297 W321 N322 Y327 R328 V329	F274-F325 HydrophobicContact CB-CD1 4.37Å; D276-F325 HydrophobicContact CB-CD1 3.78Å; D276-F325 HydrophobicContact CB-CD2 4.17Å; D276-F325 HydrophobicContact CB-CE1 3.51Å; D276-F325 HydrophobicContact CB-CE2 3.93Å; D276-F325 HydrophobicContact CB-CG 4.1Å; D276-F325 HydrophobicContact CB-CZ 3.6Å; P293-F325 HydrophobicContact CB-CE1 3.87Å; P293-F325 HydrophobicContact CB-CZ 3.96Å; I297-F325 HydrophobicContact CG1-CZ 4.47Å; W321-F325 HydrophobicContact CE3-CD2 4.32Å; W321-F325 AromaticContact CE3-CE2 3.81Å; W321-F325 HydrophobicContact CE3-CE2 3.81Å; W321-F325 HydrophobicContact CZ3-CD2 4.42Å; W321-F325 HydrophobicContact CZ3-CE2 4.05Å; N322-F325 PolarHBondContact O-N 3Å; F325-Y327 VanDerWaalsContact C-N 3.29Å; F325-Y327 HydrophobicContact CB-CD1 4.15Å; F325-Y327 HydrophobicContact CB-CE1 3.92Å; F325-Y327 PolarHBondContact O-N 3.32Å; F325-R328 HydrophobicContact CB-CG 4.22Å; F325-R328 PolarHBondContact O-N 3.44Å; F325-V329 PolarHBondContact O-N 3Å; F325-V329 VanDerWaalsContact O-N 3.08Å
326	G	97.9	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-52.3	-46	-168.6	0	0	0	0	0	113.3	R328 V329 F330	G326-R328 PolarHBondContact O-N 3.49Å; G326-V329 PolarHBondContact O-N 3.19Å; G326-F330 WeakPolarHBondContact O-CB 3.04Å; G326-F330 PolarHBondContact O-N 3.33Å
327	Y	98.1	Very high	97.5	Very high	62 Å²	62	44.1 Å²	44.1	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-20.7	-178.2	77.6	-88.5	0	0	0	114.7	W273 L275 D276 F325 P331 T379	W273-Y327 VanDerWaalsContact CZ2-N 3.3Å; L275-Y327 HydrophobicContact CD2-CD1 4.23Å; L275-Y327 HydrophobicContact CD2-CE1 4.33Å; D276-Y327 VanDerWaalsContact CG-OH 3.23Å; D276-Y327 VanDerWaalsContact OD1-CE1 3.27Å; D276-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D276-Y327 VanDerWaalsContact OD1-CZ 3.27Å; D276-Y327 PolarHBondContact OD1-OH 3.04Å; D276-Y327 PolarHBondContact OD2-OH 2.96Å; F325-Y327 VanDerWaalsContact C-N 3.29Å; F325-Y327 HydrophobicContact CB-CD1 4.15Å; F325-Y327 HydrophobicContact CB-CE1 3.92Å; F325-Y327 PolarHBondContact O-N 3.32Å; Y327-P331 WeakPolarHBondContact O-CD 3.26Å; Y327-T379 HydrophobicContact CD1-CG2 4.24Å; Y327-T379 HydrophobicContact CD2-CG2 4.46Å; Y327-T379 HydrophobicContact CG-CG2 4Å
328	R	98.1	Very high	97.7	Very high	75 Å²	75	35.8 Å²	35.8	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-89.2	-40.5	177	-60.1	-176.7	177	-85.1	4.1	111.6	D276 N322 F325 G326	D276-R328 IonicContact OD2-CZ 2.75Å; D276-R328 VanDerWaalsContact OD2-CZ 3.31Å; D276-R328 IonicContact OD2-NE 3.19Å; D276-R328 PolarHBondContact OD2-NE 3.26Å; D276-R328 IonicContact OD2-NH2 3.51Å; D276-R328 PolarHBondContact OD2-NH2 2.91Å; N322-R328 WeakPolarHBondContact O-CB 3.09Å; N322-R328 WeakPolarHBondContact O-CD 3.5Å; N322-R328 VanDerWaalsContact OD1-CD 3.23Å; N322-R328 WeakPolarHBondContact OD1-CD 3.39Å; N322-R328 VanDerWaalsContact OD1-CZ 3.28Å; N322-R328 PolarHBondContact OD1-NE 3.24Å; N322-R328 PolarHBondContact OD1-NH1 3.48Å; F325-R328 HydrophobicContact CB-CG 4.22Å; F325-R328 PolarHBondContact O-N 3.44Å; G326-R328 PolarHBondContact O-N 3.49Å
329	V	98.4	Very high	98	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-80.8	-36.4	-178.7	68.1	0	0	0	0	112.9	L245 P309 C312 C323 F325 G326 P331 S332 I333	L245-V329 HydrophobicContact CB-CG1 3.97Å; L245-V329 HydrophobicContact CD1-CG1 4.21Å; P309-V329 HydrophobicContact CG-CG2 3.9Å; C312-V329 HydrophobicContact CB-CG2 4.08Å; C323-V329 HydrophobicContact CB-CG2 4.45Å; C323-V329 VanDerWaalsContact O-CB 3.29Å; C323-V329 WeakPolarHBondContact O-CB 3.47Å; F325-V329 PolarHBondContact O-N 3Å; F325-V329 VanDerWaalsContact O-N 3.08Å; G326-V329 PolarHBondContact O-N 3.19Å; V329-P331 VanDerWaalsContact C-CD 3.49Å; V329-S332 WeakPolarHBondContact O-CB 2.96Å; V329-S332 PolarHBondContact O-N 3.35Å; V329-S332 PolarHBondContact O-OG 3.24Å; V329-I333 HydrophobicContact CG2-CD1 4.45Å; V329-I333 HydrophobicContact CG2-CG1 4.39Å
330	F	98.4	Very high	98.1	Very high	36 Å²	36	28.5 Å²	28.5	16%	0.158	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-53.6	-43.9	-173.1	-176.7	-87.7	0	0	0	114.3	W273 G326 S332 I333 V337 V339 V383	W273-F330 HydrophobicContact CH2-CB 3.76Å; W273-F330 HydrophobicContact CH2-CD2 4.41Å; W273-F330 HydrophobicContact CH2-CG 4Å; W273-F330 HydrophobicContact CZ3-CB 3.68Å; W273-F330 AromaticContact CZ3-CD2 3.84Å; W273-F330 HydrophobicContact CZ3-CD2 3.84Å; W273-F330 AromaticContact CZ3-CG 3.85Å; W273-F330 HydrophobicContact CZ3-CG 3.85Å; G326-F330 WeakPolarHBondContact O-CB 3.04Å; G326-F330 PolarHBondContact O-N 3.33Å; F330-S332 PolarHBondContact O-N 3.47Å; F330-I333 PolarHBondContact O-N 3.26Å; F330-I333 VanDerWaalsContact O-N 3.12Å; F330-V337 HydrophobicContact CE2-CB 3.96Å; F330-V337 HydrophobicContact CE2-CG1 4.32Å; F330-V339 HydrophobicContact CD2-CG2 4.24Å; F330-V339 HydrophobicContact CE2-CG2 3.99Å; F330-V383 HydrophobicContact CD1-CG2 4.33Å; F330-V383 HydrophobicContact CE1-CG1 4.26Å; F330-V383 HydrophobicContact CE1-CG2 4.2Å; F330-V383 HydrophobicContact CE2-CG1 4.06Å; F330-V383 HydrophobicContact CZ-CB 4.47Å; F330-V383 HydrophobicContact CZ-CG1 3.76Å; F330-V383 HydrophobicContact CZ-CG2 4.44Å
331	P	97.5	Very high	98.2	Very high	106 Å²	106	26 Å²	26	69%	0.688	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-60.7	-19.3	177.8	-24.2	35.4	0	0	0	114.7	Y327 V329	Y327-P331 WeakPolarHBondContact O-CD 3.26Å; V329-P331 VanDerWaalsContact C-CD 3.49Å
332	S	96.9	Very high	98.3	Very high	14 Å²	14	24.7 Å²	24.7	10%	0.098	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-91.1	-15.5	-179.7	77.6	0	0	0	0	114	R311 C312 V329 F330	R311-S332 VanDerWaalsContact CD-O 3.3Å; R311-S332 WeakPolarHBondContact CD-O 3.01Å; C312-S332 WeakPolarHBondContact CB-OG 3.36Å; V329-S332 WeakPolarHBondContact O-CB 2.96Å; V329-S332 PolarHBondContact O-N 3.35Å; V329-S332 PolarHBondContact O-OG 3.24Å; F330-S332 PolarHBondContact O-N 3.47Å
333	I	98.2	Very high	98.2	Very high	23 Å²	23	24.5 Å²	24.5	12%	0.118	13%	0.125	C	C	.	.			trans	-75.1	131.4	-175.3	-61.6	177.3	0	0	0	110.1	L245 V248 D249 V329 F330 S335 V337	L245-I333 HydrophobicContact CB-CD1 4.12Å; L245-I333 HydrophobicContact CD2-CD1 3.95Å; L245-I333 WeakPolarHBondContact O-CD1 3.29Å; V248-I333 HydrophobicContact CG1-CD1 4.49Å; V248-I333 HydrophobicContact CG1-CG2 3.66Å; D249-I333 WeakPolarHBondContact OD2-CA 3.33Å; V329-I333 HydrophobicContact CG2-CD1 4.45Å; V329-I333 HydrophobicContact CG2-CG1 4.39Å; F330-I333 PolarHBondContact O-N 3.26Å; F330-I333 VanDerWaalsContact O-N 3.12Å; I333-S335 WeakPolarHBondContact CG2-O 3.46Å; I333-V337 HydrophobicContact CD1-CG2 4.46Å; I333-V337 HydrophobicContact CG2-CG2 3.9Å
334	K	97.4	Very high	98.1	Very high	107 Å²	107	24.5 Å²	24.5	47%	0.465	13%	0.125	S	C	.	.			trans	-82.2	-44	176	-64.2	166.9	-174	165	0	112	D249 E253 R311	D249-K334 PolarHBondContact OD1-N 3.38Å; D249-K334 PolarHBondContact OD2-N 2.88Å; E253-K334 IonicContact OE1-NZ 2.81Å; E253-K334 PolarHBondContact OE1-NZ 2.03Å; R311-K334 VanDerWaalsContact NE-CE 3.34Å
335	S	98.3	Very high	98	Very high	14 Å²	14	24.3 Å²	24.3	10%	0.098	12%	0.124	C	C	.	.	S	Bend	trans	-66.6	142.7	-174.4	-57.1	0	0	0	0	110.8	D249 I333 V337	D249-S335 VanDerWaalsContact OD1-CB 3.25Å; D249-S335 WeakPolarHBondContact OD1-CB 3.35Å; D249-S335 PolarHBondContact OD1-N 3.2Å; D249-S335 PolarHBondContact OD1-OG 2.92Å; I333-S335 WeakPolarHBondContact CG2-O 3.46Å; S335-V337 PolarHBondContact O-N 3.44Å
336	P	98.4	Very high	97.8	Very high	52 Å²	52	26.7 Å²	26.7	34%	0.338	14%	0.135	S	C	.	.			trans	-61.6	125.3	173	-21.6	33	0	0	0	110.5	R266 G267 W419 L423	R266-P336 CarbonylContact C-O 3.58Å; R266-P336 WeakPolarHBondContact CA-O 3.5Å; G267-P336 PolarHBondContact N-O 3.25Å; P336-W419 HydrophobicContact CB-CZ2 3.88Å; P336-L423 HydrophobicContact CB-CD1 4.02Å; P336-L423 HydrophobicContact CB-CD2 4.05Å; P336-L423 HydrophobicContact CG-CD1 4.41Å; P336-L423 HydrophobicContact CG-CD2 4.09Å
337	V	98.8	Very high	97.6	Very high	8 Å²	8	27 Å²	27	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.9	177.3	178.9	0	0	0	0	110.2	L245 V248 G267 F330 I333 S335 V339	L245-V337 HydrophobicContact CD2-CG1 3.86Å; V248-V337 HydrophobicContact CG1-CG2 4.08Å; G267-V337 CarbonylContact O-C 3.37Å; G267-V337 WeakPolarHBondContact O-CA 3.02Å; F330-V337 HydrophobicContact CE2-CB 3.96Å; F330-V337 HydrophobicContact CE2-CG1 4.32Å; I333-V337 HydrophobicContact CD1-CG2 4.46Å; I333-V337 HydrophobicContact CG2-CG2 3.9Å; S335-V337 PolarHBondContact O-N 3.44Å; V337-V339 HydrophobicContact CG1-CG2 4.27Å
338	F	98.9	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.6	166.7	-164.8	-69.8	0	0	0	109.3	G267 L268 S269 V340 A385 F387 L412 A415 L416 W419	G267-F338 PolarHBondContact O-N 2.94Å; L268-F338 WeakPolarHBondContact CA-O 3.44Å; L268-F338 HydrophobicContact CD1-CB 4.1Å; L268-F338 HydrophobicContact CD1-CD1 3.97Å; L268-F338 HydrophobicContact CD1-CG 4.37Å; S269-F338 PolarHBondContact N-O 3.43Å; F338-V340 HydrophobicContact CD1-CG2 3.85Å; F338-V340 HydrophobicContact CE1-CG2 3.84Å; F338-A385 WeakPolarHBondContact CA-O 3.39Å; F338-A385 HydrophobicContact CD2-CB 3.78Å; F338-A385 HydrophobicContact CE2-CB 4.28Å; F338-A385 HydrophobicContact CG-CB 4.35Å; F338-F387 HydrophobicContact CE1-CB 3.71Å; F338-F387 HydrophobicContact CZ-CB 4.04Å; F338-L412 HydrophobicContact CE1-CD1 4.15Å; F338-A415 HydrophobicContact CE2-CB 4.39Å; F338-A415 HydrophobicContact CZ-CB 3.97Å; F338-L416 HydrophobicContact CB-CD2 4.17Å; F338-L416 HydrophobicContact CD1-CD2 3.79Å; F338-L416 HydrophobicContact CD2-CD2 3.82Å; F338-L416 HydrophobicContact CE1-CD2 4.14Å; F338-L416 HydrophobicContact CE2-CD2 4.16Å; F338-L416 HydrophobicContact CG-CD2 3.65Å; F338-L416 HydrophobicContact CZ-CD2 4.32Å; F338-W419 HydrophobicContact CB-CD2 4.01Å; F338-W419 HydrophobicContact CB-CE3 3.89Å; F338-W419 HydrophobicContact CB-CH2 3.9Å; F338-W419 HydrophobicContact CB-CZ2 4.04Å; F338-W419 HydrophobicContact CB-CZ3 3.84Å; F338-W419 HydrophobicContact CD2-CB 3.74Å; F338-W419 AromaticContact CD2-CD2 3.75Å; F338-W419 HydrophobicContact CD2-CD2 3.75Å; F338-W419 HydrophobicContact CD2-CE3 4.01Å; F338-W419 AromaticContact CD2-CG 3.65Å; F338-W419 HydrophobicContact CD2-CG 3.65Å; F338-W419 HydrophobicContact CE2-CB 3.98Å; F338-W419 HydrophobicContact CE2-CG 4.34Å; F338-W419 HydrophobicContact CG-CD2 4.36Å; F338-W419 HydrophobicContact CG-CE3 4.36Å
339	V	98.9	Very high	97.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	-179	-179.5	0	0	0	0	110.7	W273 F330 V337 Q341 L380 V383 A385 M386 F387	W273-V339 HydrophobicContact CB-CG1 4.4Å; W273-V339 HydrophobicContact CD2-CG1 4.36Å; W273-V339 HydrophobicContact CE3-CG1 3.85Å; W273-V339 HydrophobicContact CE3-CG2 4.04Å; W273-V339 HydrophobicContact CZ3-CG1 4.49Å; W273-V339 HydrophobicContact CZ3-CG2 3.97Å; F330-V339 HydrophobicContact CD2-CG2 4.24Å; F330-V339 HydrophobicContact CE2-CG2 3.99Å; V337-V339 HydrophobicContact CG1-CG2 4.27Å; V339-Q341 HydrophobicContact CG1-CB 4.34Å; V339-L380 HydrophobicContact CG1-CD2 3.93Å; V339-V383 HydrophobicContact CB-CG1 4.16Å; V339-V383 HydrophobicContact CG2-CG1 3.84Å; V339-A385 PolarHBondContact N-O 2.88Å; V339-M386 HydrophobicContact CB-CB 4.25Å; V339-M386 CarbonylContact O-C 3.47Å; V339-M386 WeakPolarHBondContact O-CA 3.49Å; V339-M386 WeakPolarHBondContact O-CB 3.24Å; V339-F387 PolarHBondContact O-N 3.45Å
340	V	98.9	Very high	96.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.9	170.6	-176	0	0	0	0	107.8	L268 S269 D270 S271 F338 F387 V396 L412	L268-V340 HydrophobicContact CD1-CG2 3.74Å; S269-V340 PolarHBondContact O-N 3.49Å; D270-V340 CarbonylContact C-O 3.34Å; D270-V340 WeakPolarHBondContact CA-O 3.32Å; D270-V340 HydrophobicContact CB-CB 4.22Å; S271-V340 PolarHBondContact N-O 3.48Å; F338-V340 HydrophobicContact CD1-CG2 3.85Å; F338-V340 HydrophobicContact CE1-CG2 3.84Å; V340-F387 WeakPolarHBondContact CA-O 3.46Å; V340-F387 HydrophobicContact CG1-CD1 4.35Å; V340-F387 HydrophobicContact CG2-CB 4.37Å; V340-V396 HydrophobicContact CG1-CG1 3.53Å; V340-L412 HydrophobicContact CG1-CD1 4.42Å; V340-L412 HydrophobicContact CG1-CD2 3.98Å; V340-L412 HydrophobicContact CG2-CD1 3.59Å; V340-L412 HydrophobicContact CG2-CD2 4.2Å
341	Q	98.8	Very high	96.4	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	12%	0.119	C	C	.	.			trans	-150	124.4	-174.7	-171.3	59.8	46.4	0	0	111.7	S271 W273 V339 L343 D345 L376 L380 F387 A388	S271-Q341 VanDerWaalsContact CA-OE1 3.25Å; W273-Q341 HydrophobicContact CB-CB 4.43Å; W273-Q341 HydrophobicContact CB-CG 3.99Å; V339-Q341 HydrophobicContact CG1-CB 4.34Å; Q341-L343 PolarHBondContact O-N 2.97Å; Q341-D345 PolarHBondContact NE2-OD2 3.39Å; Q341-L376 HydrophobicContact CG-CD1 4.29Å; Q341-L376 HydrophobicContact CG-CD2 3.91Å; Q341-L376 HydrophobicContact CG-CG 4.43Å; Q341-L380 HydrophobicContact CB-CD1 4.35Å; Q341-F387 PolarHBondContact N-O 3.04Å; Q341-A388 WeakPolarHBondContact O-CA 3.36Å
342	W	98.4	Very high	96.1	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.008	9%	0.087	C	C	.	.			trans	-67.2	130.2	168.4	-58.4	114.3	0	0	0	109.8	F344 D345 L376 P389 C391 S393 E395 V396 V405 P454	W342-F344 PolarHBondContact O-N 2.74Å; W342-D345 HydrophobicContact CB-CB 4.23Å; W342-D345 PolarHBondContact O-N 2.88Å; W342-L376 VanDerWaalsContact O-CD2 3.23Å; W342-L376 WeakPolarHBondContact O-CD2 3.41Å; W342-P389 HydrophobicContact CD2-CG 4.32Å; W342-P389 HydrophobicContact CE3-CB 4.13Å; W342-P389 HydrophobicContact CE3-CG 3.31Å; W342-P389 HydrophobicContact CH2-CG 4.11Å; W342-P389 HydrophobicContact CZ3-CB 3.84Å; W342-P389 HydrophobicContact CZ3-CG 3.16Å; W342-C391 HydrophobicContact CE3-CB 3.51Å; W342-C391 HydrophobicContact CZ3-CB 3.56Å; W342-C391 VanDerWaalsContact CZ3-SG 3.56Å; W342-S393 VanDerWaalsContact CD1-O 3.3Å; W342-E395 PolarHBondContact NE1-O 3.16Å; W342-V396 HydrophobicContact CH2-CB 4.5Å; W342-V396 HydrophobicContact CH2-CG2 4.13Å; W342-V396 HydrophobicContact CZ2-CB 3.61Å; W342-V396 HydrophobicContact CZ2-CG1 4.49Å; W342-V396 HydrophobicContact CZ2-CG2 3.65Å; W342-V405 HydrophobicContact CH2-CB 4.46Å; W342-V405 HydrophobicContact CH2-CG1 3.87Å; W342-V405 HydrophobicContact CH2-CG2 3.91Å; W342-V405 HydrophobicContact CZ3-CG1 3.96Å; W342-P454 HydrophobicContact CH2-CG 4.2Å
343	L	97.8	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.2	177.6	-66.4	-175.1	0	0	0	113	Q341 L376 R377 L380 A388 P389 A390 I441 D442	Q341-L343 PolarHBondContact O-N 2.97Å; L343-L376 HydrophobicContact CD2-CD2 4.36Å; L343-L376 HydrophobicContact CD2-CG 4.39Å; L343-R377 HydrophobicContact CD2-CB 4.43Å; L343-L380 HydrophobicContact CD2-CD1 4.33Å; L343-A388 HydrophobicContact CD2-CB 4.03Å; L343-P389 PolarHBondContact N-O 3.25Å; L343-A390 HydrophobicContact CD1-CB 4.02Å; L343-I441 HydrophobicContact CD1-CG1 4.43Å; L343-I441 HydrophobicContact CD2-CD1 4Å; L343-I441 HydrophobicContact CD2-CG1 4.39Å; L343-D442 HydrophobicContact CD1-CB 4.46Å
344	F	95.8	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	65.3	175.9	-48.7	-81.8	0	0	0	108.4	W342 E346 I369 A390 C391 L392 W446 P447	W342-F344 PolarHBondContact O-N 2.74Å; F344-E346 PolarHBondContact O-N 2.71Å; F344-I369 HydrophobicContact CD1-CG2 3.71Å; F344-I369 HydrophobicContact CE1-CG2 4.09Å; F344-I369 VanDerWaalsContact CE1-O 3.27Å; F344-I369 WeakPolarHBondContact CE1-O 3.32Å; F344-A390 HydrophobicContact CE2-CB 4.11Å; F344-C391 PolarHBondContact N-O 2.74Å; F344-L392 HydrophobicContact CB-CD1 4.45Å; F344-L392 WeakPolarHBondContact O-CA 3.5Å; F344-L392 VanDerWaalsContact O-CD1 3.31Å; F344-L392 WeakPolarHBondContact O-CD1 3.42Å; F344-W446 WeakPolarHBondContact CE2-O 3.38Å; F344-P447 HydrophobicContact CB-CB 4.19Å; F344-P447 HydrophobicContact CD1-CB 4.47Å; F344-P447 VanDerWaalsContact CD2-CA 3.46Å; F344-P447 HydrophobicContact CD2-CB 3.74Å; F344-P447 HydrophobicContact CE2-CB 4.22Å; F344-P447 HydrophobicContact CG-CB 3.88Å
345	D	96.7	Very high	94.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.3	-178	-170.2	-76.7	0	0	0	111.6	S271 Q341 W342 A347 Q348 L349 S393 H394	S271-D345 WeakPolarHBondContact CB-OD2 3.33Å; S271-D345 PolarHBondContact OG-OD2 2.8Å; Q341-D345 PolarHBondContact NE2-OD2 3.39Å; W342-D345 HydrophobicContact CB-CB 4.23Å; W342-D345 PolarHBondContact O-N 2.88Å; D345-A347 VanDerWaalsContact C-N 3.28Å; D345-A347 PolarHBondContact O-N 3.04Å; D345-A347 WeakPolarHBondContact OD1-CA 3.44Å; D345-A347 VanDerWaalsContact OD1-CB 3.29Å; D345-A347 WeakPolarHBondContact OD1-CB 3.16Å; D345-A347 PolarHBondContact OD1-N 2.89Å; D345-Q348 HydrophobicContact CB-CB 4.22Å; D345-Q348 PolarHBondContact O-N 3.5Å; D345-Q348 PolarHBondContact OD1-N 3.05Å; D345-L349 PolarHBondContact O-N 3.1Å; D345-S393 WeakPolarHBondContact CA-O 3.41Å; D345-H394 VanDerWaalsContact CG-ND1 3.32Å; D345-H394 IonicContact OD1-CE1 2.75Å; D345-H394 IonicContact OD1-CG 2.8Å; D345-H394 IonicContact OD1-ND1 3.87Å; D345-H394 PolarHBondContact OD1-ND1 3.41Å; D345-H394 IonicContact OD2-CE1 3.31Å; D345-H394 IonicContact OD2-ND1 3.04Å; D345-H394 PolarHBondContact OD2-ND1 3.4Å
346	E	93.2	Very high	93.1	Very high	54 Å²	54	16.6 Å²	16.6	25%	0.252	9%	0.089	S	C	.	.	H	α-helix	trans	-62.8	-35.7	-177.5	-61.6	175.3	159.2	0	0	112.1	F344 L349 T350 L392 S393 H394	F344-E346 PolarHBondContact O-N 2.71Å; E346-L349 PolarHBondContact O-N 2.95Å; E346-T350 WeakPolarHBondContact O-CB 3.39Å; E346-T350 PolarHBondContact O-N 3.28Å; E346-T350 PolarHBondContact O-OG1 3.04Å; E346-L392 HydrophobicContact CG-CD1 3.84Å; E346-L392 HydrophobicContact CG-CG 4.1Å; E346-S393 PolarHBondContact N-O 3.34Å; E346-S393 VanDerWaalsContact N-O 3.09Å; E346-H394 HydrophobicContact CB-CB 4.06Å; E346-H394 HydrophobicContact CG-CB 4.4Å
347	A	93.3	Very high	91.4	Very high	8 Å²	8	17 Å²	17	7%	0.066	9%	0.09	C	C	.	.	H	α-helix	trans	-68.6	-38.8	179	0	0	0	0	0	111	F274 D345 T350 V351 H394	F274-A347 HydrophobicContact CE1-CB 3.92Å; F274-A347 HydrophobicContact CZ-CB 4.24Å; D345-A347 VanDerWaalsContact C-N 3.28Å; D345-A347 PolarHBondContact O-N 3.04Å; D345-A347 WeakPolarHBondContact OD1-CA 3.44Å; D345-A347 VanDerWaalsContact OD1-CB 3.29Å; D345-A347 WeakPolarHBondContact OD1-CB 3.16Å; D345-A347 PolarHBondContact OD1-N 2.89Å; A347-T350 PolarHBondContact O-N 3.5Å; A347-V351 WeakPolarHBondContact O-CG2 3.48Å; A347-V351 PolarHBondContact O-N 3.37Å; A347-H394 VanDerWaalsContact CB-CE1 3.44Å; A347-H394 WeakPolarHBondContact CB-CE1 3.03Å
348	Q	95.5	Very high	89.4	Confident	7 Å²	7	17.7 Å²	17.7	3%	0.033	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-47.2	172.8	-177.7	68.6	60.9	0	0	111.3	F274 L275 N277 D345 T350 V351 D352 L372	F274-Q348 HydrophobicContact CD1-CB 4.26Å; L275-Q348 PolarHBondContact O-NE2 3.4Å; N277-Q348 PolarHBondContact OD1-NE2 2.93Å; D345-Q348 HydrophobicContact CB-CB 4.22Å; D345-Q348 PolarHBondContact O-N 3.5Å; D345-Q348 PolarHBondContact OD1-N 3.05Å; Q348-T350 VanDerWaalsContact C-N 3.27Å; Q348-T350 PolarHBondContact O-N 2.92Å; Q348-V351 WeakPolarHBondContact O-CG2 3.44Å; Q348-V351 PolarHBondContact O-N 3.23Å; Q348-D352 PolarHBondContact NE2-OD1 2.85Å; Q348-D352 WeakPolarHBondContact O-CB 3.29Å; Q348-D352 PolarHBondContact O-N 3.29Å; Q348-L372 HydrophobicContact CG-CD1 3.84Å; Q348-L372 HydrophobicContact CG-CD2 4.02Å
349	L	92.4	Very high	87.8	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-37.1	177.3	-69.8	174.2	0	0	0	112.1	D345 E346 D352 N353 I354 L356 I369 L372 L392	D345-L349 PolarHBondContact O-N 3.1Å; E346-L349 PolarHBondContact O-N 2.95Å; L349-D352 CarbonylContact O-C 3.46Å; L349-D352 PolarHBondContact O-N 3.35Å; L349-N353 PolarHBondContact O-N 2.7Å; L349-I354 HydrophobicContact CB-CB 4.24Å; L349-I354 HydrophobicContact CB-CG2 4.39Å; L349-I354 HydrophobicContact CD2-CB 4.32Å; L349-I354 HydrophobicContact CD2-CD1 3.84Å; L349-I354 HydrophobicContact CD2-CG2 4.22Å; L349-I354 WeakPolarHBondContact O-CB 3.33Å; L349-I354 PolarHBondContact O-N 3.05Å; L349-L356 HydrophobicContact CD1-CD1 4.42Å; L349-I369 HydrophobicContact CD2-CG1 3.95Å; L349-L372 HydrophobicContact CD2-CD2 3.48Å; L349-L372 VanDerWaalsContact CD2-CD2 3.48Å; L349-L372 HydrophobicContact CG-CD2 4.11Å; L349-L392 HydrophobicContact CD1-CD1 3.36Å
350	T	90.1	Very high	86.3	Confident	37 Å²	37	28.3 Å²	28.3	23%	0.227	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-48.4	178	-51.2	0	0	0	0	110.9	W134 I289 E346 A347 Q348 D352 N353	W134-T350 HydrophobicContact CH2-CG2 3.82Å; W134-T350 HydrophobicContact CZ2-CG2 3.98Å; I289-T350 HydrophobicContact CG2-CG2 3.38Å; E346-T350 WeakPolarHBondContact O-CB 3.39Å; E346-T350 PolarHBondContact O-N 3.28Å; E346-T350 PolarHBondContact O-OG1 3.04Å; A347-T350 PolarHBondContact O-N 3.5Å; Q348-T350 VanDerWaalsContact C-N 3.27Å; Q348-T350 PolarHBondContact O-N 2.92Å; T350-D352 PolarHBondContact O-N 3.38Å; T350-N353 WeakPolarHBondContact O-CA 3.34Å; T350-N353 PolarHBondContact O-N 3.35Å
351	V	90	Very high	85.2	Confident	5 Å²	5	28.8 Å²	28.8	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-71.3	-20	177.7	-61.4	0	0	0	0	113.3	W134 Q279 P293 A347 Q348 N353	W134-V351 HydrophobicContact CH2-CG1 3.7Å; W134-V351 HydrophobicContact CZ3-CG1 3.69Å; Q279-V351 WeakPolarHBondContact CG-O 3.22Å; Q279-V351 PolarHBondContact NE2-O 3.43Å; P293-V351 HydrophobicContact CG-CB 4.04Å; P293-V351 HydrophobicContact CG-CG2 3.6Å; A347-V351 WeakPolarHBondContact O-CG2 3.48Å; A347-V351 PolarHBondContact O-N 3.37Å; Q348-V351 WeakPolarHBondContact O-CG2 3.44Å; Q348-V351 PolarHBondContact O-N 3.23Å; V351-N353 PolarHBondContact O-N 3.47Å
352	D	91.3	Very high	84.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	1.4	170	-73	1.5	0	0	0	113.2	N277 Y280 Q348 L349 T350 I354 Y368	N277-D352 PolarHBondContact ND2-OD2 2.75Å; N277-D352 PolarHBondContact OD1-OD1 3.06Å; N277-D352 VanDerWaalsContact OD1-OD1 3.1Å; Y280-D352 PolarHBondContact N-O 2.86Å; Q348-D352 PolarHBondContact NE2-OD1 2.85Å; Q348-D352 WeakPolarHBondContact O-CB 3.29Å; Q348-D352 PolarHBondContact O-N 3.29Å; L349-D352 CarbonylContact O-C 3.46Å; L349-D352 PolarHBondContact O-N 3.35Å; T350-D352 PolarHBondContact O-N 3.38Å; D352-I354 VanDerWaalsContact C-N 3.34Å; D352-I354 HydrophobicContact CB-CD1 4.49Å; D352-I354 HydrophobicContact CB-CG1 4.47Å; D352-Y368 HydrophobicContact CB-CE1 4.04Å; D352-Y368 WeakPolarHBondContact CB-OH 3.37Å; D352-Y368 WeakPolarHBondContact OD2-CE1 3.28Å; D352-Y368 PolarHBondContact OD2-OH 3.06Å
353	N	88.4	Confident	83.4	Confident	32 Å²	32	41.7 Å²	41.7	17%	0.171	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	41.2	-177	-162.1	17.1	0	0	0	113.1	H281 T283 L349 T350 V351	H281-N353 WeakPolarHBondContact CB-ND2 3.28Å; H281-N353 PolarHBondContact O-ND2 3.29Å; T283-N353 WeakPolarHBondContact CG2-ND2 3.34Å; L349-N353 PolarHBondContact O-N 2.7Å; T350-N353 WeakPolarHBondContact O-CA 3.34Å; T350-N353 PolarHBondContact O-N 3.35Å; V351-N353 PolarHBondContact O-N 3.47Å
354	I	86.6	Confident	82.7	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.24	C	C	.	.			trans	-106.5	112.9	173.2	-67.7	180	0	0	0	108.3	Y280 L349 D352 L356 Q365 Y368 I369	Y280-I354 HydrophobicContact CD1-CG1 4.39Å; Y280-I354 HydrophobicContact CG-CG1 4.35Å; L349-I354 HydrophobicContact CB-CB 4.24Å; L349-I354 HydrophobicContact CB-CG2 4.39Å; L349-I354 HydrophobicContact CD2-CB 4.32Å; L349-I354 HydrophobicContact CD2-CD1 3.84Å; L349-I354 HydrophobicContact CD2-CG2 4.22Å; L349-I354 WeakPolarHBondContact O-CB 3.33Å; L349-I354 PolarHBondContact O-N 3.05Å; D352-I354 VanDerWaalsContact C-N 3.34Å; D352-I354 HydrophobicContact CB-CD1 4.49Å; D352-I354 HydrophobicContact CB-CG1 4.47Å; I354-L356 HydrophobicContact CG2-CD2 3.98Å; I354-L356 HydrophobicContact CG2-CG 4.37Å; I354-Q365 HydrophobicContact CG1-CG 4.49Å; I354-Q365 HydrophobicContact CG2-CG 4.31Å; I354-Y368 HydrophobicContact CD1-CD1 3.21Å; I354-Y368 HydrophobicContact CD1-CE1 3.45Å; I354-Y368 VanDerWaalsContact CD1-CE1 3.45Å; I354-Y368 HydrophobicContact CD1-CG 4.07Å; I354-I369 HydrophobicContact CD1-CG1 3.95Å; I354-I369 HydrophobicContact CG2-CD1 4.04Å; I354-I369 HydrophobicContact CG2-CG1 4.48Å
355	Q	77.3	Confident	82.3	Confident	115 Å²	115	44.8 Å²	44.8	54%	0.537	25%	0.245	S	C	.	.			trans	-104.6	127.6	174.2	-57.5	-177.9	-1.5	0	0	109.6	T357	Q355-T357 HydrophobicContact CB-CG2 3.82Å; Q355-T357 PolarHBondContact O-N 3Å
356	L	75.2	Confident	81.7	Confident	19 Å²	19	46 Å²	46	10%	0.099	25%	0.25	C	C	.	.			trans	-101.4	74.4	177.6	-58.8	179.4	0	0	0	108.5	L349 I354 G358 V361 I369 L392 F470 M474	L349-L356 HydrophobicContact CD1-CD1 4.42Å; I354-L356 HydrophobicContact CG2-CD2 3.98Å; I354-L356 HydrophobicContact CG2-CG 4.37Å; L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 2.8Å; L356-V361 HydrophobicContact CD2-CG2 3.89Å; L356-I369 HydrophobicContact CD2-CD1 4.31Å; L356-L392 HydrophobicContact CD1-CD1 4.16Å; L356-L392 HydrophobicContact CD1-CD2 3.4Å; L356-L392 HydrophobicContact CD1-CG 4.45Å; L356-F470 HydrophobicContact CD1-CE2 4.37Å; L356-M474 HydrophobicContact CD1-CE 4.3Å; L356-M474 HydrophobicContact CD1-SD 4.07Å; L356-M474 HydrophobicContact CD2-CE 3.85Å; L356-M474 HydrophobicContact CD2-SD 3.6Å; L356-M474 HydrophobicContact CG-SD 4.39Å
357	T	63.2	Low	81.4	Confident	60 Å²	60	51.5 Å²	51.5	37%	0.368	27%	0.268	S	S	.	.			trans	-87.6	27.5	-169.9	60.4	0	0	0	0	113.9	Q355 Q359 F460	Q355-T357 HydrophobicContact CB-CG2 3.82Å; Q355-T357 PolarHBondContact O-N 3Å; T357-Q359 PolarHBondContact O-N 3.07Å; T357-F460 HydrophobicContact CG2-CD2 4.45Å; T357-F460 HydrophobicContact CG2-CE2 3.49Å; T357-F460 VanDerWaalsContact CG2-CE2 3.49Å; T357-F460 HydrophobicContact CG2-CZ 3.89Å
358	G	57.9	Low	81.4	Confident	23 Å²	23	53.1 Å²	53.1	24%	0.237	27%	0.273	C	S	.	.	S	Bend	trans	63	10.2	-174.3	0	0	0	0	0	114.9	L356 H473	L356-G358 VanDerWaalsContact C-N 3.27Å; L356-G358 PolarHBondContact O-N 2.8Å; G358-H473 VanDerWaalsContact C-ND1 3.31Å; G358-H473 PolarHBondContact O-CE1 3.48Å; G358-H473 PolarHBondContact O-ND1 2.83Å
359	Q	63.7	Low	81.1	Confident	134 Å²	134	52.8 Å²	52.8	63%	0.626	27%	0.272	S	S	*	.	S	Bend	trans	-89.4	150.5	167.4	-67.3	-61	-41.6	0	0	109.5	T357 V361 H473	T357-Q359 PolarHBondContact O-N 3.07Å; Q359-V361 PolarHBondContact O-N 2.72Å; Q359-V361 VanDerWaalsContact O-N 3.16Å; Q359-H473 VanDerWaalsContact O-O 3.14Å
360	P	68.5	Low	81	Confident	91 Å²	91	55 Å²	55	59%	0.591	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-54.4	120.8	173.6	-24.9	34.5	0	0	0	111.3	Q362 H473	P360-Q362 PolarHBondContact O-N 2.97Å; P360-H473 CarbonylContact C-O 3.42Å; P360-H473 VanDerWaalsContact CA-O 3.23Å; P360-H473 WeakPolarHBondContact CA-O 3.3Å
361	V	74.4	Confident	81.2	Confident	12 Å²	12	56.9 Å²	56.9	7%	0.073	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-64.1	131.5	176.1	169.3	0	0	0	0	108.9	L356 Q359 Q365 W366 H473 M474	L356-V361 HydrophobicContact CD2-CG2 3.89Å; Q359-V361 PolarHBondContact O-N 2.72Å; Q359-V361 VanDerWaalsContact O-N 3.16Å; V361-Q365 HydrophobicContact CG1-CB 3.71Å; V361-Q365 HydrophobicContact CG1-CG 3.84Å; V361-W366 HydrophobicContact CG1-CB 4Å; V361-H473 WeakPolarHBondContact CG2-O 3.1Å; V361-H473 PolarHBondContact N-O 2.8Å; V361-M474 HydrophobicContact CG2-CE 4.19Å; V361-M474 HydrophobicContact CG2-SD 3.7Å
362	Q	79.6	Confident	81.5	Confident	129 Å²	129	56.8 Å²	56.8	60%	0.603	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-69.2	151.4	178.7	-60.9	177.3	18	0	0	110.5	P360 G364 Q365 W366	P360-Q362 PolarHBondContact O-N 2.97Å; Q362-G364 PolarHBondContact O-N 2.97Å; Q362-G364 VanDerWaalsContact O-N 3.13Å; Q362-Q365 WeakPolarHBondContact O-CB 3.45Å; Q362-Q365 PolarHBondContact O-N 3.01Å; Q362-W366 PolarHBondContact O-N 3.43Å
363	E	79.9	Confident	81.7	Confident	146 Å²	146	56.9 Å²	56.9	68%	0.682	29%	0.291	S	S	*	.	H	α-helix	trans	-54.6	-37.6	-177.9	-174	172.6	-157.9	0	0	113	W366 R367 K480	E363-W366 PolarHBondContact O-N 3.07Å; E363-R367 WeakPolarHBondContact O-CB 3.48Å; E363-R367 PolarHBondContact O-N 2.92Å; E363-K480 IonicContact OE1-NZ 3.85Å
364	G	84.9	Confident	82	Confident	41 Å²	41	58.8 Å²	58.8	42%	0.423	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-43.5	175.7	0	0	0	0	0	113.4	Q362 R367 Y368	Q362-G364 PolarHBondContact O-N 2.97Å; Q362-G364 VanDerWaalsContact O-N 3.13Å; G364-R367 PolarHBondContact O-N 3.42Å; G364-Y368 PolarHBondContact O-N 2.69Å
365	Q	86.1	Confident	82.5	Confident	24 Å²	24	63.1 Å²	63.1	11%	0.112	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-39.6	177.7	-170.7	-178.9	26.1	0	0	110.6	Y280 I354 V361 Q362 Y368 I369	Y280-Q365 HydrophobicContact CD1-CB 4.42Å; Y280-Q365 HydrophobicContact CD1-CG 4.18Å; Y280-Q365 HydrophobicContact CE1-CB 3.74Å; Y280-Q365 HydrophobicContact CE1-CG 3.93Å; Y280-Q365 HydrophobicContact CE2-CB 4.23Å; Y280-Q365 PolarHBondContact OH-N 3.03Å; I354-Q365 HydrophobicContact CG1-CG 4.49Å; I354-Q365 HydrophobicContact CG2-CG 4.31Å; V361-Q365 HydrophobicContact CG1-CB 3.71Å; V361-Q365 HydrophobicContact CG1-CG 3.84Å; Q362-Q365 WeakPolarHBondContact O-CB 3.45Å; Q362-Q365 PolarHBondContact O-N 3.01Å; Q365-Y368 WeakPolarHBondContact O-CB 3.46Å; Q365-Y368 PolarHBondContact O-N 3.05Å; Q365-I369 WeakPolarHBondContact O-CG1 3.17Å; Q365-I369 PolarHBondContact O-N 2.82Å
366	W	84.3	Confident	83.5	Confident	25 Å²	25	57.9 Å²	57.9	10%	0.095	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-46.8	174.1	-179.1	-113.6	0	0	0	112.1	V361 Q362 E363 Y368 I369 Q370 W446 P447 M474	V361-W366 HydrophobicContact CG1-CB 4Å; Q362-W366 PolarHBondContact O-N 3.43Å; E363-W366 PolarHBondContact O-N 3.07Å; W366-Y368 VanDerWaalsContact C-N 3.3Å; W366-Y368 PolarHBondContact O-N 2.59Å; W366-I369 PolarHBondContact O-N 3.36Å; W366-Q370 VanDerWaalsContact NE1-NE2 3.19Å; W366-Q370 WeakPolarHBondContact O-CG 3.17Å; W366-Q370 PolarHBondContact O-N 3.23Å; W366-W446 HydrophobicContact CH2-CB 3.77Å; W366-W446 HydrophobicContact CZ2-CB 3.77Å; W366-P447 HydrophobicContact CH2-CG 4.09Å; W366-P447 HydrophobicContact CZ3-CG 3.86Å; W366-M474 HydrophobicContact CE3-CB 3.79Å; W366-M474 HydrophobicContact CE3-CE 3.88Å; W366-M474 VanDerWaalsContact CE3-O 3.3Å; W366-M474 HydrophobicContact CH2-CB 4.17Å; W366-M474 HydrophobicContact CZ3-CB 3.41Å; W366-M474 VanDerWaalsContact CZ3-CB 3.41Å; W366-M474 HydrophobicContact CZ3-CE 3.7Å; W366-M474 HydrophobicContact CZ3-CG 4.01Å
367	R	87.8	Confident	84.5	Confident	170 Å²	170	59.2 Å²	59.2	64%	0.642	30%	0.3	S	S	*	.	H	α-helix	trans	-61.2	-38.6	175.9	177	175.9	-95.2	169.9	-5.9	112	E363 G364 Q370 N371	E363-R367 WeakPolarHBondContact O-CB 3.48Å; E363-R367 PolarHBondContact O-N 2.92Å; G364-R367 PolarHBondContact O-N 3.42Å; R367-Q370 PolarHBondContact O-N 2.78Å; R367-N371 VanDerWaalsContact O-CG 3.3Å; R367-N371 PolarHBondContact O-N 3.38Å
368	Y	91.8	Very high	86.1	Confident	42 Å²	42	61.1 Å²	61.1	17%	0.165	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-48.1	174.6	-177.3	-76.6	0	0	0	111	N277 K278 Y280 D352 I354 G364 Q365 W366 Q370 N371 L372	N277-Y368 PolarHBondContact ND2-OH 2.83Å; K278-Y368 WeakPolarHBondContact O-CE2 3.49Å; K278-Y368 PolarHBondContact O-OH 3.14Å; Y280-Y368 AromaticContact CD2-CD2 3.89Å; Y280-Y368 HydrophobicContact CD2-CD2 3.89Å; Y280-Y368 HydrophobicContact CD2-CG 4.02Å; Y280-Y368 HydrophobicContact CG-CD2 4.39Å; Y280-Y368 HydrophobicContact CG-CG 4.44Å; D352-Y368 HydrophobicContact CB-CE1 4.04Å; D352-Y368 WeakPolarHBondContact CB-OH 3.37Å; D352-Y368 WeakPolarHBondContact OD2-CE1 3.28Å; D352-Y368 PolarHBondContact OD2-OH 3.06Å; I354-Y368 HydrophobicContact CD1-CD1 3.21Å; I354-Y368 HydrophobicContact CD1-CE1 3.45Å; I354-Y368 VanDerWaalsContact CD1-CE1 3.45Å; I354-Y368 HydrophobicContact CD1-CG 4.07Å; G364-Y368 PolarHBondContact O-N 2.69Å; Q365-Y368 WeakPolarHBondContact O-CB 3.46Å; Q365-Y368 PolarHBondContact O-N 3.05Å; W366-Y368 VanDerWaalsContact C-N 3.3Å; W366-Y368 PolarHBondContact O-N 2.59Å; Y368-Q370 VanDerWaalsContact C-N 3.33Å; Y368-Q370 PolarHBondContact O-N 3.28Å; Y368-N371 PolarHBondContact O-N 3.18Å; Y368-N371 VanDerWaalsContact O-N 3.16Å; Y368-L372 PolarHBondContact O-N 3.16Å
369	I	90.9	Very high	88	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-41.6	-179.8	-65.7	172.4	0	0	0	111	F344 L349 I354 L356 Q365 W366 L372 G373 P447 M474	F344-I369 HydrophobicContact CD1-CG2 3.71Å; F344-I369 HydrophobicContact CE1-CG2 4.09Å; F344-I369 VanDerWaalsContact CE1-O 3.27Å; F344-I369 WeakPolarHBondContact CE1-O 3.32Å; L349-I369 HydrophobicContact CD2-CG1 3.95Å; I354-I369 HydrophobicContact CD1-CG1 3.95Å; I354-I369 HydrophobicContact CG2-CD1 4.04Å; I354-I369 HydrophobicContact CG2-CG1 4.48Å; L356-I369 HydrophobicContact CD2-CD1 4.31Å; Q365-I369 WeakPolarHBondContact O-CG1 3.17Å; Q365-I369 PolarHBondContact O-N 2.82Å; W366-I369 PolarHBondContact O-N 3.36Å; I369-L372 WeakPolarHBondContact O-CB 3.19Å; I369-L372 PolarHBondContact O-N 2.87Å; I369-G373 PolarHBondContact O-N 2.73Å; I369-P447 HydrophobicContact CG2-CG 4.25Å; I369-M474 HydrophobicContact CD1-CE 3.37Å
370	Q	89.8	Confident	89.7	Confident	46 Å²	46	55.4 Å²	55.4	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-44.5	174.4	-67.7	-177.5	-39.4	0	0	112.3	W366 R367 Y368 L372 G373 I374	W366-Q370 VanDerWaalsContact NE1-NE2 3.19Å; W366-Q370 WeakPolarHBondContact O-CG 3.17Å; W366-Q370 PolarHBondContact O-N 3.23Å; R367-Q370 PolarHBondContact O-N 2.78Å; Y368-Q370 VanDerWaalsContact C-N 3.33Å; Y368-Q370 PolarHBondContact O-N 3.28Å; Q370-L372 VanDerWaalsContact C-N 3.34Å; Q370-L372 PolarHBondContact O-N 3.3Å; Q370-G373 PolarHBondContact O-N 3.06Å; Q370-I374 WeakPolarHBondContact O-CG1 3.34Å; Q370-I374 PolarHBondContact O-N 3.48Å
371	N	94.1	Very high	90.9	Very high	77 Å²	77	58.2 Å²	58.2	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-39.7	177.2	-72.9	-14.6	0	0	0	111.9	R367 Y368 G373 I374 E375	R367-N371 VanDerWaalsContact O-CG 3.3Å; R367-N371 PolarHBondContact O-N 3.38Å; Y368-N371 PolarHBondContact O-N 3.18Å; Y368-N371 VanDerWaalsContact O-N 3.16Å; N371-G373 VanDerWaalsContact C-N 3.32Å; N371-G373 PolarHBondContact O-N 3.49Å; N371-I374 WeakPolarHBondContact O-CB 3.23Å; N371-I374 PolarHBondContact O-N 3.26Å; N371-I374 VanDerWaalsContact O-N 3.1Å; N371-E375 WeakPolarHBondContact O-CG 3.27Å; N371-E375 PolarHBondContact O-N 3.35Å
372	L	95.4	Very high	91.8	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-48	174.9	178.9	71.4	0	0	0	111.2	L275 Q348 L349 Y368 I369 Q370 I374 E375 L376	L275-L372 HydrophobicContact CD1-CD1 3.81Å; Q348-L372 HydrophobicContact CG-CD1 3.84Å; Q348-L372 HydrophobicContact CG-CD2 4.02Å; L349-L372 HydrophobicContact CD2-CD2 3.48Å; L349-L372 VanDerWaalsContact CD2-CD2 3.48Å; L349-L372 HydrophobicContact CG-CD2 4.11Å; Y368-L372 PolarHBondContact O-N 3.16Å; I369-L372 WeakPolarHBondContact O-CB 3.19Å; I369-L372 PolarHBondContact O-N 2.87Å; Q370-L372 VanDerWaalsContact C-N 3.34Å; Q370-L372 PolarHBondContact O-N 3.3Å; L372-I374 VanDerWaalsContact C-N 3.28Å; L372-I374 PolarHBondContact O-N 3.17Å; L372-E375 PolarHBondContact O-N 3.47Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.27Å; L372-L376 PolarHBondContact O-N 3.02Å
373	G	95.6	Very high	92.7	Very high	2 Å²	2	58.4 Å²	58.4	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-34.6	177.5	0	0	0	0	0	113.3	I369 Q370 N371 R377	I369-G373 PolarHBondContact O-N 2.73Å; Q370-G373 PolarHBondContact O-N 3.06Å; N371-G373 VanDerWaalsContact C-N 3.32Å; N371-G373 PolarHBondContact O-N 3.49Å; G373-R377 VanDerWaalsContact O-CB 3.23Å; G373-R377 WeakPolarHBondContact O-CB 3.23Å; G373-R377 PolarHBondContact O-N 3.37Å; G373-R377 VanDerWaalsContact O-N 3.07Å
374	I	95.9	Very high	93.5	Very high	72 Å²	72	55.5 Å²	55.5	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-48.7	175.2	-66.3	166.2	0	0	0	110.7	Q370 N371 L372 R377 N378	Q370-I374 WeakPolarHBondContact O-CG1 3.34Å; Q370-I374 PolarHBondContact O-N 3.48Å; N371-I374 WeakPolarHBondContact O-CB 3.23Å; N371-I374 PolarHBondContact O-N 3.26Å; N371-I374 VanDerWaalsContact O-N 3.1Å; L372-I374 VanDerWaalsContact C-N 3.28Å; L372-I374 PolarHBondContact O-N 3.17Å; I374-R377 PolarHBondContact O-N 2.95Å; I374-N378 PolarHBondContact O-N 3.5Å; I374-N378 PolarHBondContact O-ND2 3.39Å
375	E	96.9	Very high	94.1	Very high	93 Å²	93	53.8 Å²	53.8	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-48.3	178.7	-73.1	180	-172.4	0	0	110.8	L275 N371 L372 R377 N378 T379	L275-E375 HydrophobicContact CD1-CB 3.86Å; N371-E375 WeakPolarHBondContact O-CG 3.27Å; N371-E375 PolarHBondContact O-N 3.35Å; L372-E375 PolarHBondContact O-N 3.47Å; E375-R377 PolarHBondContact O-N 2.9Å; E375-N378 WeakPolarHBondContact O-CB 3.47Å; E375-N378 PolarHBondContact O-N 2.95Å; E375-N378 VanDerWaalsContact O-N 3.09Å; E375-T379 WeakPolarHBondContact O-CG2 3.26Å; E375-T379 PolarHBondContact O-N 3.18Å
376	L	97.6	Very high	94.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-45	179	-170.8	61.1	0	0	0	111.3	L275 Q341 W342 L343 L372 N378 T379 L380	L275-L376 HydrophobicContact CD1-CB 4.2Å; L275-L376 HydrophobicContact CD1-CD1 4.44Å; L275-L376 HydrophobicContact CD2-CD1 4.13Å; L275-L376 HydrophobicContact CG-CD1 4.16Å; Q341-L376 HydrophobicContact CG-CD1 4.29Å; Q341-L376 HydrophobicContact CG-CD2 3.91Å; Q341-L376 HydrophobicContact CG-CG 4.43Å; W342-L376 VanDerWaalsContact O-CD2 3.23Å; W342-L376 WeakPolarHBondContact O-CD2 3.41Å; L343-L376 HydrophobicContact CD2-CD2 4.36Å; L343-L376 HydrophobicContact CD2-CG 4.39Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.27Å; L372-L376 PolarHBondContact O-N 3.02Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 3.24Å; L376-T379 PolarHBondContact O-N 3.41Å; L376-T379 PolarHBondContact O-OG1 3.37Å; L376-L380 HydrophobicContact CG-CD1 4.29Å; L376-L380 WeakPolarHBondContact O-CG 3.48Å; L376-L380 PolarHBondContact O-N 2.89Å
377	R	96.6	Very high	95.3	Very high	47 Å²	47	51.5 Å²	51.5	18%	0.177	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-42.3	173.5	175.5	179.4	-55.6	151.8	8.1	112.5	L343 G373 I374 E375 T379 L380 K381 I441 D442 N443 C444	L343-R377 HydrophobicContact CD2-CB 4.43Å; G373-R377 VanDerWaalsContact O-CB 3.23Å; G373-R377 WeakPolarHBondContact O-CB 3.23Å; G373-R377 PolarHBondContact O-N 3.37Å; G373-R377 VanDerWaalsContact O-N 3.07Å; I374-R377 PolarHBondContact O-N 2.95Å; E375-R377 PolarHBondContact O-N 2.9Å; R377-T379 VanDerWaalsContact C-N 3.32Å; R377-T379 PolarHBondContact O-N 2.86Å; R377-L380 PolarHBondContact O-N 2.95Å; R377-K381 PolarHBondContact O-N 3.07Å; R377-I441 HydrophobicContact CB-CD1 3.95Å; R377-I441 HydrophobicContact CG-CD1 3.62Å; R377-I441 HydrophobicContact CG-CG1 4.31Å; R377-D442 PolarHBondContact NE-O 2.99Å; R377-D442 PolarHBondContact NH2-O 2.74Å; R377-N443 PolarHBondContact NH1-O 3.19Å; R377-N443 PolarHBondContact NH2-O 3.16Å; R377-C444 PolarHBondContact NH2-O 3.28Å
378	N	97.3	Very high	95.8	Very high	100 Å²	100	43.5 Å²	43.5	54%	0.535	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-40.8	178.8	-70.9	-26.8	0	0	0	111.4	I374 E375 L376 L380 K381	I374-N378 PolarHBondContact O-N 3.5Å; I374-N378 PolarHBondContact O-ND2 3.39Å; E375-N378 WeakPolarHBondContact O-CB 3.47Å; E375-N378 PolarHBondContact O-N 2.95Å; E375-N378 VanDerWaalsContact O-N 3.09Å; L376-N378 VanDerWaalsContact C-N 3.3Å; L376-N378 PolarHBondContact O-N 3.24Å; N378-L380 PolarHBondContact O-N 3.02Å; N378-K381 WeakPolarHBondContact O-CB 3.47Å; N378-K381 PolarHBondContact O-N 2.95Å
379	T	98.1	Very high	96.1	Very high	37 Å²	37	41.5 Å²	41.5	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-27.2	177.3	68.4	0	0	0	0	113.6	W273 L275 Y327 E375 L376 R377	W273-T379 WeakPolarHBondContact CZ2-O 3.29Å; W273-T379 PolarHBondContact NE1-OG1 3.43Å; L275-T379 HydrophobicContact CD2-CG2 3.67Å; Y327-T379 HydrophobicContact CD1-CG2 4.24Å; Y327-T379 HydrophobicContact CD2-CG2 4.46Å; Y327-T379 HydrophobicContact CG-CG2 4Å; E375-T379 WeakPolarHBondContact O-CG2 3.26Å; E375-T379 PolarHBondContact O-N 3.18Å; L376-T379 PolarHBondContact O-N 3.41Å; L376-T379 PolarHBondContact O-OG1 3.37Å; R377-T379 VanDerWaalsContact C-N 3.32Å; R377-T379 PolarHBondContact O-N 2.86Å
380	L	97.4	Very high	96.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-90.1	-7.8	-178.1	-64.9	168.9	0	0	0	113.5	W273 V339 Q341 L343 L376 R377 N378 D382 V383 M386 A388 I441	W273-L380 HydrophobicContact CD2-CD2 3.8Å; W273-L380 HydrophobicContact CE3-CD2 4.25Å; W273-L380 HydrophobicContact CG-CD2 4.16Å; W273-L380 HydrophobicContact CH2-CD2 4.38Å; W273-L380 HydrophobicContact CZ2-CD2 3.93Å; V339-L380 HydrophobicContact CG1-CD2 3.93Å; Q341-L380 HydrophobicContact CB-CD1 4.35Å; L343-L380 HydrophobicContact CD2-CD1 4.33Å; L376-L380 HydrophobicContact CG-CD1 4.29Å; L376-L380 WeakPolarHBondContact O-CG 3.48Å; L376-L380 PolarHBondContact O-N 2.89Å; R377-L380 PolarHBondContact O-N 2.95Å; N378-L380 PolarHBondContact O-N 3.02Å; L380-D382 VanDerWaalsContact C-N 3.26Å; L380-D382 PolarHBondContact O-N 3.38Å; L380-V383 HydrophobicContact CD2-CG2 4.24Å; L380-V383 WeakPolarHBondContact O-CB 3.37Å; L380-V383 PolarHBondContact O-N 2.95Å; L380-M386 HydrophobicContact CB-CE 3.55Å; L380-M386 HydrophobicContact CD1-CE 4.5Å; L380-M386 WeakPolarHBondContact O-CE 3.5Å; L380-A388 HydrophobicContact CD1-CB 3.86Å; L380-I441 HydrophobicContact CB-CD1 4.28Å; L380-I441 HydrophobicContact CD1-CD1 4.26Å
381	K	94.2	Very high	96.6	Very high	150 Å²	150	39.3 Å²	39.3	65%	0.652	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.1	-172.9	-176.1	-178.2	174.4	-172.2	0	113.2	R377 N378 H439	R377-K381 PolarHBondContact O-N 3.07Å; N378-K381 WeakPolarHBondContact O-CB 3.47Å; N378-K381 PolarHBondContact O-N 2.95Å; K381-H439 PolarHBondContact O-CE1 3.04Å
382	D	94.3	Very high	96.5	Very high	141 Å²	141	36.2 Å²	36.2	75%	0.754	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	6.2	-176.7	-58.6	-40.4	0	0	0	112.9	L380 P384	L380-D382 VanDerWaalsContact C-N 3.26Å; L380-D382 PolarHBondContact O-N 3.38Å; D382-P384 WeakPolarHBondContact O-CD 3.33Å
383	V	97.8	Very high	96.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.188	C	C	.	.			trans	-81	113.1	175.9	179.5	0	0	0	0	109.2	W273 F330 V339 L380 A385 M386 H439	W273-V383 HydrophobicContact CH2-CG2 3.52Å; W273-V383 HydrophobicContact CZ2-CG2 4.12Å; W273-V383 HydrophobicContact CZ3-CG2 4.09Å; F330-V383 HydrophobicContact CD1-CG2 4.33Å; F330-V383 HydrophobicContact CE1-CG1 4.26Å; F330-V383 HydrophobicContact CE1-CG2 4.2Å; F330-V383 HydrophobicContact CE2-CG1 4.06Å; F330-V383 HydrophobicContact CZ-CB 4.47Å; F330-V383 HydrophobicContact CZ-CG1 3.76Å; F330-V383 HydrophobicContact CZ-CG2 4.44Å; V339-V383 HydrophobicContact CB-CG1 4.16Å; V339-V383 HydrophobicContact CG2-CG1 3.84Å; L380-V383 HydrophobicContact CD2-CG2 4.24Å; L380-V383 WeakPolarHBondContact O-CB 3.37Å; L380-V383 PolarHBondContact O-N 2.95Å; V383-A385 PolarHBondContact O-N 2.9Å; V383-M386 HydrophobicContact CB-CB 4.41Å; V383-M386 HydrophobicContact CB-CG 4.3Å; V383-M386 HydrophobicContact CG1-CB 3.89Å; V383-M386 HydrophobicContact CG1-CG 4.25Å; V383-M386 WeakPolarHBondContact O-CG 3.29Å; V383-H439 PolarHBondContact O-CE1 2.65Å; V383-H439 PolarHBondContact O-ND1 3.31Å
384	P	96.1	Very high	96.5	Very high	86 Å²	86	37.7 Å²	37.7	56%	0.558	19%	0.193	S	C	*	.	S	Bend	trans	-71.5	-29.6	-169.7	26.8	-35.4	0	0	0	114.2	D382	D382-P384 WeakPolarHBondContact O-CD 3.33Å
385	A	97.9	Very high	96.5	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.033	18%	0.183	C	C	.	.	S	Bend	trans	-125.2	104.3	-179.1	0	0	0	0	0	109.5	F338 V339 V383 W419 V438	F338-A385 WeakPolarHBondContact CA-O 3.39Å; F338-A385 HydrophobicContact CD2-CB 3.78Å; F338-A385 HydrophobicContact CE2-CB 4.28Å; F338-A385 HydrophobicContact CG-CB 4.35Å; V339-A385 PolarHBondContact N-O 2.88Å; V383-A385 PolarHBondContact O-N 2.9Å; A385-W419 HydrophobicContact CB-CG 4.23Å; A385-V438 CarbonylContact C-O 3.58Å; A385-V438 WeakPolarHBondContact CA-O 3.4Å
386	M	97.9	Very high	96.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	155.9	-173.3	57.4	89.4	107.2	0	0	113.9	V339 L380 V383 A388 V438 H439 L440 I441	V339-M386 HydrophobicContact CB-CB 4.25Å; V339-M386 CarbonylContact O-C 3.47Å; V339-M386 WeakPolarHBondContact O-CA 3.49Å; V339-M386 WeakPolarHBondContact O-CB 3.24Å; L380-M386 HydrophobicContact CB-CE 3.55Å; L380-M386 HydrophobicContact CD1-CE 4.5Å; L380-M386 WeakPolarHBondContact O-CE 3.5Å; V383-M386 HydrophobicContact CB-CB 4.41Å; V383-M386 HydrophobicContact CB-CG 4.3Å; V383-M386 HydrophobicContact CG1-CB 3.89Å; V383-M386 HydrophobicContact CG1-CG 4.25Å; V383-M386 WeakPolarHBondContact O-CG 3.29Å; M386-A388 HydrophobicContact CE-CB 4.33Å; M386-A388 HydrophobicContact SD-CB 4.44Å; M386-V438 PolarHBondContact N-O 3.38Å; M386-H439 VanDerWaalsContact CE-CE1 3.49Å; M386-H439 WeakPolarHBondContact CE-CE1 3.43Å; M386-L440 PolarHBondContact O-N 3.05Å; M386-L440 PolarHBondContact SD-N 3.19Å; M386-I441 HydrophobicContact CE-CB 3.54Å; M386-I441 HydrophobicContact CE-CD1 3.55Å; M386-I441 HydrophobicContact CE-CG1 4.13Å; M386-I441 HydrophobicContact CE-CG2 3.88Å; M386-I441 HydrophobicContact SD-CB 3.87Å; M386-I441 HydrophobicContact SD-CG2 4.35Å
387	F	98.7	Very high	96.6	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	105.6	175.7	-169.2	-91.8	0	0	0	109.6	F338 V339 V340 Q341 P389 V405 V407 T410 L412 A415 L440	F338-F387 HydrophobicContact CE1-CB 3.71Å; F338-F387 HydrophobicContact CZ-CB 4.04Å; V339-F387 PolarHBondContact O-N 3.45Å; V340-F387 WeakPolarHBondContact CA-O 3.46Å; V340-F387 HydrophobicContact CG1-CD1 4.35Å; V340-F387 HydrophobicContact CG2-CB 4.37Å; Q341-F387 PolarHBondContact N-O 3.04Å; F387-P389 HydrophobicContact CD1-CG 4.13Å; F387-P389 HydrophobicContact CE1-CB 4.44Å; F387-P389 HydrophobicContact CE1-CG 3.85Å; F387-P389 WeakPolarHBondContact O-CD 3.41Å; F387-V405 HydrophobicContact CE1-CG1 3.93Å; F387-V405 HydrophobicContact CZ-CG1 4.25Å; F387-V407 HydrophobicContact CD2-CB 4.45Å; F387-V407 HydrophobicContact CD2-CG2 4.4Å; F387-V407 HydrophobicContact CE1-CG2 4.05Å; F387-V407 HydrophobicContact CE2-CB 3.9Å; F387-V407 HydrophobicContact CE2-CG2 3.9Å; F387-V407 HydrophobicContact CZ-CB 4.16Å; F387-V407 HydrophobicContact CZ-CG2 3.71Å; F387-T410 WeakPolarHBondContact CE2-O 3.42Å; F387-L412 HydrophobicContact CB-CD1 3.8Å; F387-L412 HydrophobicContact CD1-CB 4.11Å; F387-L412 HydrophobicContact CD1-CD1 4.02Å; F387-L412 HydrophobicContact CD1-CG 4.46Å; F387-L412 HydrophobicContact CD2-CB 4.41Å; F387-L412 HydrophobicContact CD2-CD1 4.31Å; F387-L412 HydrophobicContact CE1-CB 3.96Å; F387-L412 HydrophobicContact CE2-CB 4.28Å; F387-L412 HydrophobicContact CG-CB 4.33Å; F387-L412 HydrophobicContact CG-CD1 3.8Å; F387-L412 HydrophobicContact CZ-CB 4.05Å; F387-A415 HydrophobicContact CD2-CB 4.23Å; F387-L440 CarbonylContact C-O 3.58Å; F387-L440 VanDerWaalsContact CA-O 3.26Å; F387-L440 WeakPolarHBondContact CA-O 3.42Å; F387-L440 HydrophobicContact CD2-CB 3.96Å; F387-L440 HydrophobicContact CD2-CD1 3.85Å; F387-L440 HydrophobicContact CE2-CD1 4.17Å
388	A	98.5	Very high	96.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	78.3	-171.3	0	0	0	0	0	112.9	Q341 L343 L380 M386 L440 I441 D442	Q341-A388 WeakPolarHBondContact O-CA 3.36Å; L343-A388 HydrophobicContact CD2-CB 4.03Å; L380-A388 HydrophobicContact CD1-CB 3.86Å; M386-A388 HydrophobicContact CE-CB 4.33Å; M386-A388 HydrophobicContact SD-CB 4.44Å; A388-L440 PolarHBondContact N-O 3.09Å; A388-I441 HydrophobicContact CB-CB 4.07Å; A388-I441 HydrophobicContact CB-CD1 3.82Å; A388-I441 HydrophobicContact CB-CG1 3.8Å; A388-I441 WeakPolarHBondContact O-CA 3.43Å; A388-D442 PolarHBondContact O-N 3.47Å
389	P	98	Very high	96.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.15	C	C	.	.			trans	-72.1	147.5	174.9	28	-35.7	0	0	0	113	W342 L343 F387 C391 V405 V407 D442	W342-P389 HydrophobicContact CD2-CG 4.32Å; W342-P389 HydrophobicContact CE3-CB 4.13Å; W342-P389 HydrophobicContact CE3-CG 3.31Å; W342-P389 HydrophobicContact CH2-CG 4.11Å; W342-P389 HydrophobicContact CZ3-CB 3.84Å; W342-P389 HydrophobicContact CZ3-CG 3.16Å; L343-P389 PolarHBondContact N-O 3.25Å; F387-P389 HydrophobicContact CD1-CG 4.13Å; F387-P389 HydrophobicContact CE1-CB 4.44Å; F387-P389 HydrophobicContact CE1-CG 3.85Å; F387-P389 WeakPolarHBondContact O-CD 3.41Å; P389-C391 VanDerWaalsContact C-N 3.28Å; P389-C391 PolarHBondContact O-N 3.35Å; P389-V405 HydrophobicContact CB-CG1 4.1Å; P389-V405 HydrophobicContact CG-CG1 4.05Å; P389-V407 HydrophobicContact CB-CG2 3.67Å; P389-V407 HydrophobicContact CG-CG2 4.39Å; P389-D442 VanDerWaalsContact CA-OD2 3.26Å; P389-D442 WeakPolarHBondContact CA-OD2 2.95Å
390	A	96.4	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.			trans	-86	60.8	-180	0	0	0	0	0	112.6	L343 F344 D442 H448 C449	L343-A390 HydrophobicContact CD1-CB 4.02Å; F344-A390 HydrophobicContact CE2-CB 4.11Å; A390-D442 HydrophobicContact CB-CB 3.56Å; A390-D442 PolarHBondContact N-OD2 3Å; A390-H448 PolarHBondContact O-N 3.25Å; A390-C449 WeakPolarHBondContact CB-SG 3.35Å
391	C	94.1	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.			trans	-118.3	154.5	179.7	-48.7	0	0	0	0	111.5	W342 F344 P389 C453	W342-C391 HydrophobicContact CE3-CB 3.51Å; W342-C391 HydrophobicContact CZ3-CB 3.56Å; W342-C391 VanDerWaalsContact CZ3-SG 3.56Å; F344-C391 PolarHBondContact N-O 2.74Å; P389-C391 VanDerWaalsContact C-N 3.28Å; P389-C391 PolarHBondContact O-N 3.35Å; C391-C453 WeakPolarHBondContact CA-SG 3.31Å; C391-C453 HydrophobicContact CB-CB 3.68Å; C391-C453 WeakPolarHBondContact CB-SG 3.3Å; C391-C453 WeakPolarHBondContact SG-CA 3.48Å; C391-C453 WeakPolarHBondContact SG-CB 3.42Å; C391-C453 CovalentContact SG-SG 2.01Å; C391-C453 PolarHBondContact SG-SG 3.2Å
392	L	92.4	Very high	95.8	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.063	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108	163.1	176.4	71.1	0	0	0	107.8	F344 E346 L349 L356 P447 H448 F470	F344-L392 HydrophobicContact CB-CD1 4.45Å; F344-L392 WeakPolarHBondContact O-CA 3.5Å; F344-L392 VanDerWaalsContact O-CD1 3.31Å; F344-L392 WeakPolarHBondContact O-CD1 3.42Å; E346-L392 HydrophobicContact CG-CD1 3.84Å; E346-L392 HydrophobicContact CG-CG 4.1Å; L349-L392 HydrophobicContact CD1-CD1 3.36Å; L356-L392 HydrophobicContact CD1-CD1 4.16Å; L356-L392 HydrophobicContact CD1-CD2 3.4Å; L356-L392 HydrophobicContact CD1-CG 4.45Å; L392-P447 HydrophobicContact CB-CB 4.09Å; L392-H448 PolarHBondContact N-NE2 2.99Å; L392-H448 PolarHBondContact O-NE2 3.41Å; L392-H448 VanDerWaalsContact O-NE2 3.12Å; L392-F470 HydrophobicContact CB-CZ 4.2Å; L392-F470 HydrophobicContact CD2-CD2 4.48Å; L392-F470 HydrophobicContact CD2-CE2 3.33Å; L392-F470 HydrophobicContact CD2-CZ 3.39Å; L392-F470 HydrophobicContact CG-CZ 4.43Å
393	S	93.8	Very high	95.8	Very high	8 Å²	8	25 Å²	25	6%	0.056	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	175.1	179.6	-172.6	0	0	0	0	109.8	W342 D345 E346	W342-S393 VanDerWaalsContact CD1-O 3.3Å; D345-S393 WeakPolarHBondContact CA-O 3.41Å; E346-S393 PolarHBondContact N-O 3.34Å; E346-S393 VanDerWaalsContact N-O 3.09Å
394	H	95.8	Very high	95.6	Very high	28 Å²	28	29.2 Å²	29.2	13%	0.13	15%	0.148	C	C	.	.			trans	-143.2	129.8	172.7	-171	61.7	0	0	0	112	S238 D345 E346 A347	S238-H394 WeakPolarHBondContact CB-NE2 3.41Å; S238-H394 PolarHBondContact OG-CE1 3.08Å; S238-H394 PolarHBondContact OG-NE2 2.94Å; D345-H394 VanDerWaalsContact CG-ND1 3.32Å; D345-H394 IonicContact OD1-CE1 2.75Å; D345-H394 IonicContact OD1-CG 2.8Å; D345-H394 IonicContact OD1-ND1 3.87Å; D345-H394 PolarHBondContact OD1-ND1 3.41Å; D345-H394 IonicContact OD2-CE1 3.31Å; D345-H394 IonicContact OD2-ND1 3.04Å; D345-H394 PolarHBondContact OD2-ND1 3.4Å; E346-H394 HydrophobicContact CB-CB 4.06Å; E346-H394 HydrophobicContact CG-CB 4.4Å; A347-H394 VanDerWaalsContact CB-CE1 3.44Å; A347-H394 WeakPolarHBondContact CB-CE1 3.03Å
395	E	97.5	Very high	95.6	Very high	31 Å²	31	25.1 Å²	25.1	15%	0.145	12%	0.122	C	C	.	.			trans	62.6	155.8	-172.2	-44.4	176.4	144.4	0	0	113	S238 S271 W342 R399	S238-E395 VanDerWaalsContact CB-OE1 3.31Å; S238-E395 WeakPolarHBondContact CB-OE1 3.3Å; S271-E395 PolarHBondContact OG-N 2.87Å; W342-E395 PolarHBondContact NE1-O 3.16Å; E395-R399 IonicContact OE2-CZ 3.76Å; E395-R399 IonicContact OE2-NH2 3.71Å; E395-R399 PolarHBondContact OE2-NH2 3.4Å
396	V	97.6	Very high	95.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.137	C	C	.	.			trans	-148	-37.9	174.9	75.1	0	0	0	0	113.6	D270 V340 W342 T398 R399 Y401 W402 V405 L412	D270-V396 PolarHBondContact OD1-N 2.89Å; D270-V396 PolarHBondContact OD2-N 2.77Å; V340-V396 HydrophobicContact CG1-CG1 3.53Å; W342-V396 HydrophobicContact CH2-CB 4.5Å; W342-V396 HydrophobicContact CH2-CG2 4.13Å; W342-V396 HydrophobicContact CZ2-CB 3.61Å; W342-V396 HydrophobicContact CZ2-CG1 4.49Å; W342-V396 HydrophobicContact CZ2-CG2 3.65Å; V396-T398 PolarHBondContact O-N 3.34Å; V396-R399 VanDerWaalsContact O-CB 3.3Å; V396-R399 WeakPolarHBondContact O-CB 3.42Å; V396-R399 PolarHBondContact O-N 3.19Å; V396-Y401 HydrophobicContact CG2-CE2 4.16Å; V396-W402 HydrophobicContact CG2-CB 3.98Å; V396-W402 WeakPolarHBondContact O-CB 3.45Å; V396-V405 HydrophobicContact CG2-CG2 4.46Å; V396-L412 HydrophobicContact CG1-CD2 3.47Å; V396-L412 VanDerWaalsContact CG1-CD2 3.47Å; V396-L412 HydrophobicContact CG2-CD2 4.49Å
397	I	98.4	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.8	-161.3	64.4	-179.5	0	0	0	114.4	F129 I167 A235 S237 L268 D270 L412	F129-I397 HydrophobicContact CD2-CD1 4.12Å; F129-I397 HydrophobicContact CE2-CD1 3.79Å; F129-I397 HydrophobicContact CE2-CG1 3.88Å; I167-I397 HydrophobicContact CB-CB 4.49Å; I167-I397 WeakPolarHBondContact CB-O 3.3Å; I167-I397 HydrophobicContact CG2-CB 4.11Å; I167-I397 HydrophobicContact CG2-CD1 4.45Å; I167-I397 HydrophobicContact CG2-CG1 4.25Å; I167-I397 WeakPolarHBondContact CG2-O 3.42Å; I167-I397 PolarHBondContact N-O 3.31Å; A235-I397 HydrophobicContact CB-CD1 4.14Å; S237-I397 WeakPolarHBondContact OG-CG1 3.27Å; L268-I397 HydrophobicContact CD2-CD1 3.92Å; L268-I397 HydrophobicContact CD2-CG2 4.35Å; L268-I397 HydrophobicContact CG-CD1 4.09Å; D270-I397 HydrophobicContact CB-CD1 3.76Å; D270-I397 HydrophobicContact CB-CG1 3.94Å; D270-I397 HydrophobicContact CB-CG2 3.9Å; D270-I397 WeakPolarHBondContact OD2-CG1 3.47Å; D270-I397 PolarHBondContact OD2-N 3.01Å; I397-L412 HydrophobicContact CG2-CD2 3.92Å
398	T	97.1	Very high	95.4	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.135	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4	174.6	56	0	0	0	0	113.5	F129 T165 L168 V396	F129-T398 HydrophobicContact CD1-CG2 4.43Å; F129-T398 HydrophobicContact CD2-CG2 3.89Å; F129-T398 HydrophobicContact CE1-CG2 3.97Å; F129-T398 HydrophobicContact CE2-CG2 3.38Å; F129-T398 HydrophobicContact CG-CG2 4.38Å; F129-T398 HydrophobicContact CZ-CG2 3.42Å; F129-T398 VanDerWaalsContact CZ-CG2 3.42Å; T165-T398 WeakPolarHBondContact CB-O 3.42Å; T165-T398 PolarHBondContact OG1-O 3.49Å; L168-T398 HydrophobicContact CD1-CG2 4.06Å; V396-T398 PolarHBondContact O-N 3.34Å
399	R	94.6	Very high	95.2	Very high	92 Å²	92	37.7 Å²	37.7	35%	0.347	19%	0.194	S	C	.	.	S	Bend	trans	-83.5	152.1	178.8	-56.5	-69.1	-172.1	-159	-8	110.1	E395 V396 Y401 W402	E395-R399 IonicContact OE2-CZ 3.76Å; E395-R399 IonicContact OE2-NH2 3.71Å; E395-R399 PolarHBondContact OE2-NH2 3.4Å; V396-R399 VanDerWaalsContact O-CB 3.3Å; V396-R399 WeakPolarHBondContact O-CB 3.42Å; V396-R399 PolarHBondContact O-N 3.19Å; R399-Y401 VanDerWaalsContact C-N 3.28Å; R399-Y401 HydrophobicContact CB-CD1 4.05Å; R399-Y401 HydrophobicContact CB-CD2 4.18Å; R399-Y401 HydrophobicContact CB-CE1 3.78Å; R399-Y401 HydrophobicContact CB-CE2 3.87Å; R399-Y401 HydrophobicContact CB-CG 4.25Å; R399-Y401 HydrophobicContact CG-CE1 4.04Å; R399-Y401 HydrophobicContact CG-CE2 4.09Å; R399-Y401 PolarHBondContact O-N 3.1Å; R399-W402 WeakPolarHBondContact O-CB 3.36Å; R399-W402 PolarHBondContact O-N 3.44Å
400	N	87.8	Confident	95.1	Very high	104 Å²	104	38.2 Å²	38.2	56%	0.556	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-66.7	-33.3	178.5	-63.4	-10.8	0	0	0	111.9	W402	N400-W402 VanDerWaalsContact C-N 3.26Å; N400-W402 PolarHBondContact O-N 3.07Å
401	Y	90	Very high	95.2	Very high	71 Å²	71	39.5 Å²	39.5	28%	0.278	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-81.8	5.8	-179.6	59.5	-107.3	0	0	0	114.1	V396 R399 I403 D404 V405 P454	V396-Y401 HydrophobicContact CG2-CE2 4.16Å; R399-Y401 VanDerWaalsContact C-N 3.28Å; R399-Y401 HydrophobicContact CB-CD1 4.05Å; R399-Y401 HydrophobicContact CB-CD2 4.18Å; R399-Y401 HydrophobicContact CB-CE1 3.78Å; R399-Y401 HydrophobicContact CB-CE2 3.87Å; R399-Y401 HydrophobicContact CB-CG 4.25Å; R399-Y401 HydrophobicContact CG-CE1 4.04Å; R399-Y401 HydrophobicContact CG-CE2 4.09Å; R399-Y401 PolarHBondContact O-N 3.1Å; Y401-I403 PolarHBondContact O-N 2.85Å; Y401-D404 VanDerWaalsContact CA-OD2 3.3Å; Y401-D404 WeakPolarHBondContact CA-OD2 3.29Å; Y401-D404 WeakPolarHBondContact CB-OD2 3.43Å; Y401-D404 WeakPolarHBondContact O-CB 3.26Å; Y401-D404 PolarHBondContact O-N 2.99Å; Y401-V405 HydrophobicContact CD2-CG2 4.29Å; Y401-P454 HydrophobicContact CD2-CB 3.99Å; Y401-P454 HydrophobicContact CE1-CB 4.33Å; Y401-P454 HydrophobicContact CE2-CB 3.69Å; Y401-P454 HydrophobicContact CE2-CG 4.1Å; Y401-P454 HydrophobicContact CG-CB 4.46Å
402	W	96.1	Very high	95.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.015	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.7	-18.8	-175.7	85.5	-61.6	0	0	0	113.7	I167 E174 V396 R399 N400 L412 P413 L416	I167-W402 HydrophobicContact CB-CE3 4.49Å; I167-W402 HydrophobicContact CB-CH2 3.79Å; I167-W402 HydrophobicContact CB-CZ2 4.11Å; I167-W402 HydrophobicContact CB-CZ3 3.99Å; I167-W402 HydrophobicContact CD1-CH2 4.18Å; I167-W402 HydrophobicContact CD1-CZ3 4.14Å; I167-W402 HydrophobicContact CG1-CH2 3.67Å; I167-W402 HydrophobicContact CG1-CZ2 4.33Å; I167-W402 HydrophobicContact CG1-CZ3 4.03Å; E174-W402 PolarHBondContact O-NE1 3.05Å; V396-W402 HydrophobicContact CG2-CB 3.98Å; V396-W402 WeakPolarHBondContact O-CB 3.45Å; R399-W402 WeakPolarHBondContact O-CB 3.36Å; R399-W402 PolarHBondContact O-N 3.44Å; N400-W402 VanDerWaalsContact C-N 3.26Å; N400-W402 PolarHBondContact O-N 3.07Å; W402-L412 HydrophobicContact CE3-CD2 4.06Å; W402-L412 HydrophobicContact CE3-CG 4.22Å; W402-L412 HydrophobicContact CZ3-CG 4.42Å; W402-P413 HydrophobicContact CD2-CG 4.09Å; W402-P413 HydrophobicContact CE3-CG 4.05Å; W402-P413 HydrophobicContact CH2-CB 3.98Å; W402-P413 HydrophobicContact CH2-CG 3.83Å; W402-P413 HydrophobicContact CZ2-CB 4.26Å; W402-P413 HydrophobicContact CZ2-CG 3.86Å; W402-P413 HydrophobicContact CZ3-CB 4.34Å; W402-P413 HydrophobicContact CZ3-CG 3.93Å; W402-L416 HydrophobicContact CH2-CD1 4.45Å; W402-L416 HydrophobicContact CZ3-CD1 3.82Å
403	I	95	Very high	95.6	Very high	54 Å²	54	39.1 Å²	39.1	28%	0.277	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-79.7	-21.1	175.3	66	178.4	0	0	0	113.2	Y401 P413	Y401-I403 PolarHBondContact O-N 2.85Å; I403-P413 HydrophobicContact CB-CG 4.31Å; I403-P413 HydrophobicContact CG2-CG 3.9Å
404	D	94.9	Very high	95.8	Very high	92 Å²	92	44.7 Å²	44.7	49%	0.492	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-31.3	-170.1	-59	-40.5	0	0	0	112.5	Y401	Y401-D404 VanDerWaalsContact CA-OD2 3.3Å; Y401-D404 WeakPolarHBondContact CA-OD2 3.29Å; Y401-D404 WeakPolarHBondContact CB-OD2 3.43Å; Y401-D404 WeakPolarHBondContact O-CB 3.26Å; Y401-D404 PolarHBondContact O-N 2.99Å
405	V	95.4	Very high	95.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.218	C	C	.	.			trans	-71.8	129.3	-176.5	-174	0	0	0	0	109.8	W342 F387 P389 V396 Y401 S411 L412	W342-V405 HydrophobicContact CH2-CB 4.46Å; W342-V405 HydrophobicContact CH2-CG1 3.87Å; W342-V405 HydrophobicContact CH2-CG2 3.91Å; W342-V405 HydrophobicContact CZ3-CG1 3.96Å; F387-V405 HydrophobicContact CE1-CG1 3.93Å; F387-V405 HydrophobicContact CZ-CG1 4.25Å; P389-V405 HydrophobicContact CB-CG1 4.1Å; P389-V405 HydrophobicContact CG-CG1 4.05Å; V396-V405 HydrophobicContact CG2-CG2 4.46Å; Y401-V405 HydrophobicContact CD2-CG2 4.29Å; V405-S411 WeakPolarHBondContact O-CA 3.22Å; V405-L412 PolarHBondContact O-N 3.32Å
406	Q	97.2	Very high	95.9	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.4	-177.4	-59	177.7	30	0	0	111.7	T410 N450 T452	Q406-T410 CarbonylContact C-O 3.43Å; Q406-T410 VanDerWaalsContact CA-O 3.26Å; Q406-T410 WeakPolarHBondContact CA-O 3.35Å; Q406-N450 PolarHBondContact O-ND2 3.06Å; Q406-T452 HydrophobicContact CB-CG2 4.08Å; Q406-T452 HydrophobicContact CG-CG2 4.34Å; Q406-T452 PolarHBondContact N-OG1 2.95Å; Q406-T452 PolarHBondContact O-OG1 2.84Å; Q406-T452 VanDerWaalsContact O-OG1 3.1Å
407	V	97.3	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.5	167.6	173.5	0	0	0	0	107.2	F387 P389 G409 T410 L440	F387-V407 HydrophobicContact CD2-CB 4.45Å; F387-V407 HydrophobicContact CD2-CG2 4.4Å; F387-V407 HydrophobicContact CE1-CG2 4.05Å; F387-V407 HydrophobicContact CE2-CB 3.9Å; F387-V407 HydrophobicContact CE2-CG2 3.9Å; F387-V407 HydrophobicContact CZ-CB 4.16Å; F387-V407 HydrophobicContact CZ-CG2 3.71Å; P389-V407 HydrophobicContact CB-CG2 3.67Å; P389-V407 HydrophobicContact CG-CG2 4.39Å; V407-G409 PolarHBondContact O-N 3.46Å; V407-T410 PolarHBondContact N-O 3.48Å; V407-T410 PolarHBondContact O-N 2.86Å; V407-L440 HydrophobicContact CB-CB 4.05Å; V407-L440 HydrophobicContact CG1-CB 3.9Å
408	K	94.9	Very high	95.7	Very high	134 Å²	134	45.1 Å²	45.1	58%	0.583	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	42.4	-176.6	-58.1	173.4	-175.1	170.2	0	112.5	T410 L440 I441	K408-T410 PolarHBondContact O-N 3.16Å; K408-L440 HydrophobicContact CB-CD2 4.38Å; K408-I441 VanDerWaalsContact CE-O 3.23Å; K408-I441 WeakPolarHBondContact CE-O 3.44Å; K408-I441 PolarHBondContact NZ-O 3.41Å
409	G	95	Very high	95.6	Very high	60 Å²	60	44.8 Å²	44.8	62%	0.619	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	10.5	179.7	0	0	0	0	0	115.6	V407	V407-G409 PolarHBondContact O-N 3.46Å
410	T	96.8	Very high	95.6	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.1	177	-59.6	0	0	0	0	109.6	F387 Q406 V407 K408 R414 A415 P437 L440	F387-T410 WeakPolarHBondContact CE2-O 3.42Å; Q406-T410 CarbonylContact C-O 3.43Å; Q406-T410 VanDerWaalsContact CA-O 3.26Å; Q406-T410 WeakPolarHBondContact CA-O 3.35Å; V407-T410 PolarHBondContact N-O 3.48Å; V407-T410 PolarHBondContact O-N 2.86Å; K408-T410 PolarHBondContact O-N 3.16Å; T410-R414 HydrophobicContact CG2-CB 4.11Å; T410-R414 HydrophobicContact CG2-CG 3.97Å; T410-A415 HydrophobicContact CG2-CB 4.29Å; T410-P437 HydrophobicContact CG2-CG 4.26Å; T410-L440 HydrophobicContact CG2-CD1 3.59Å
411	S	97.4	Very high	95.7	Very high	28 Å²	28	42.4 Å²	42.4	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	158.2	175.1	67.4	0	0	0	0	112.5	V405 R414 A415	V405-S411 WeakPolarHBondContact O-CA 3.22Å; S411-R414 WeakPolarHBondContact O-CB 3.37Å; S411-R414 PolarHBondContact O-N 3.19Å; S411-A415 PolarHBondContact O-N 2.83Å
412	L	98.1	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-46.7	177.9	174.6	59.4	0	0	0	113.6	F338 V340 F387 V396 I397 W402 V405 R414 A415 L416	F338-L412 HydrophobicContact CE1-CD1 4.15Å; V340-L412 HydrophobicContact CG1-CD1 4.42Å; V340-L412 HydrophobicContact CG1-CD2 3.98Å; V340-L412 HydrophobicContact CG2-CD1 3.59Å; V340-L412 HydrophobicContact CG2-CD2 4.2Å; F387-L412 HydrophobicContact CB-CD1 3.8Å; F387-L412 HydrophobicContact CD1-CB 4.11Å; F387-L412 HydrophobicContact CD1-CD1 4.02Å; F387-L412 HydrophobicContact CD1-CG 4.46Å; F387-L412 HydrophobicContact CD2-CB 4.41Å; F387-L412 HydrophobicContact CD2-CD1 4.31Å; F387-L412 HydrophobicContact CE1-CB 3.96Å; F387-L412 HydrophobicContact CE2-CB 4.28Å; F387-L412 HydrophobicContact CG-CB 4.33Å; F387-L412 HydrophobicContact CG-CD1 3.8Å; F387-L412 HydrophobicContact CZ-CB 4.05Å; V396-L412 HydrophobicContact CG1-CD2 3.47Å; V396-L412 VanDerWaalsContact CG1-CD2 3.47Å; V396-L412 HydrophobicContact CG2-CD2 4.49Å; I397-L412 HydrophobicContact CG2-CD2 3.92Å; W402-L412 HydrophobicContact CE3-CD2 4.06Å; W402-L412 HydrophobicContact CE3-CG 4.22Å; W402-L412 HydrophobicContact CZ3-CG 4.42Å; V405-L412 PolarHBondContact O-N 3.32Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 2.9Å; L412-A415 PolarHBondContact O-N 2.84Å; L412-A415 VanDerWaalsContact O-N 3.16Å; L412-L416 HydrophobicContact CD1-CD1 4.24Å; L412-L416 HydrophobicContact CD1-CG 4.14Å; L412-L416 HydrophobicContact CG-CD1 4.35Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.1Å
413	P	97.9	Very high	95.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-39.3	175.2	-22.8	30.2	0	0	0	112.8	P176 H177 W402 I403 L416 H417	P176-P413 HydrophobicContact CG-CB 4.39Å; H177-P413 PolarHBondContact CD2-O 2.74Å; W402-P413 HydrophobicContact CD2-CG 4.09Å; W402-P413 HydrophobicContact CE3-CG 4.05Å; W402-P413 HydrophobicContact CH2-CB 3.98Å; W402-P413 HydrophobicContact CH2-CG 3.83Å; W402-P413 HydrophobicContact CZ2-CB 4.26Å; W402-P413 HydrophobicContact CZ2-CG 3.86Å; W402-P413 HydrophobicContact CZ3-CB 4.34Å; W402-P413 HydrophobicContact CZ3-CG 3.93Å; I403-P413 HydrophobicContact CB-CG 4.31Å; I403-P413 HydrophobicContact CG2-CG 3.9Å; P413-L416 PolarHBondContact O-N 2.88Å; P413-H417 PolarHBondContact O-N 2.88Å
414	R	96.4	Very high	94.9	Very high	126 Å²	126	44.1 Å²	44.1	48%	0.475	22%	0.223	S	C	.	.	H	α-helix	trans	-66.4	-42.6	177.5	-180	174.7	177	113	2.5	111.4	T410 S411 L412 L416 H417 C418	T410-R414 HydrophobicContact CG2-CB 4.11Å; T410-R414 HydrophobicContact CG2-CG 3.97Å; S411-R414 WeakPolarHBondContact O-CB 3.37Å; S411-R414 PolarHBondContact O-N 3.19Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 2.9Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-L416 PolarHBondContact O-N 2.71Å; R414-H417 WeakPolarHBondContact O-CB 3.39Å; R414-H417 PolarHBondContact O-N 3.32Å; R414-C418 PolarHBondContact O-N 3.04Å; R414-C418 PolarHBondContact O-SG 3.41Å
415	A	97.7	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.3	0	0	0	0	0	112	F338 F387 T410 S411 L412 H417 C418 W419 L440	F338-A415 HydrophobicContact CE2-CB 4.39Å; F338-A415 HydrophobicContact CZ-CB 3.97Å; F387-A415 HydrophobicContact CD2-CB 4.23Å; T410-A415 HydrophobicContact CG2-CB 4.29Å; S411-A415 PolarHBondContact O-N 2.83Å; L412-A415 PolarHBondContact O-N 2.84Å; L412-A415 VanDerWaalsContact O-N 3.16Å; A415-H417 VanDerWaalsContact C-N 3.35Å; A415-H417 PolarHBondContact O-N 2.87Å; A415-C418 WeakPolarHBondContact O-CB 3.26Å; A415-C418 PolarHBondContact O-N 2.75Å; A415-W419 PolarHBondContact O-N 3Å; A415-L440 HydrophobicContact CB-CD1 3.63Å
416	L	97.8	Very high	93.2	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-38.5	175	-69.6	172	0	0	0	112.3	I167 L268 F338 W402 L412 P413 R414 W419 D420	I167-L416 HydrophobicContact CD1-CD1 4.03Å; L268-L416 HydrophobicContact CD1-CD2 3.85Å; L268-L416 HydrophobicContact CD2-CD1 4.13Å; L268-L416 HydrophobicContact CD2-CD2 4.26Å; F338-L416 HydrophobicContact CB-CD2 4.17Å; F338-L416 HydrophobicContact CD1-CD2 3.79Å; F338-L416 HydrophobicContact CD2-CD2 3.82Å; F338-L416 HydrophobicContact CE1-CD2 4.14Å; F338-L416 HydrophobicContact CE2-CD2 4.16Å; F338-L416 HydrophobicContact CG-CD2 3.65Å; F338-L416 HydrophobicContact CZ-CD2 4.32Å; W402-L416 HydrophobicContact CH2-CD1 4.45Å; W402-L416 HydrophobicContact CZ3-CD1 3.82Å; L412-L416 HydrophobicContact CD1-CD1 4.24Å; L412-L416 HydrophobicContact CD1-CG 4.14Å; L412-L416 HydrophobicContact CG-CD1 4.35Å; L412-L416 WeakPolarHBondContact O-CG 3.43Å; L412-L416 PolarHBondContact O-N 3.1Å; P413-L416 PolarHBondContact O-N 2.88Å; R414-L416 VanDerWaalsContact C-N 3.35Å; R414-L416 PolarHBondContact O-N 2.71Å; L416-W419 HydrophobicContact CD2-CE3 4.37Å; L416-W419 PolarHBondContact O-N 2.85Å; L416-D420 PolarHBondContact O-N 3.49Å
417	H	95.8	Very high	92.2	Very high	60 Å²	60	49 Å²	49	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-42.1	173.2	176.3	61.9	0	0	0	112.2	H177 P413 R414 A415 W419 D420 R421	H177-H417 HydrophobicContact CB-CB 4.47Å; H177-H417 AromaticContact CE1-CD2 3.91Å; H177-H417 AromaticContact CE1-CG 3.62Å; H177-H417 AromaticContact ND1-CG 3.65Å; H177-H417 AromaticContact ND1-ND1 3.71Å; H177-H417 AromaticContact NE2-CG 3.99Å; P413-H417 PolarHBondContact O-N 2.88Å; R414-H417 WeakPolarHBondContact O-CB 3.39Å; R414-H417 PolarHBondContact O-N 3.32Å; A415-H417 VanDerWaalsContact C-N 3.35Å; A415-H417 PolarHBondContact O-N 2.87Å; H417-W419 VanDerWaalsContact C-N 3.29Å; H417-W419 PolarHBondContact O-N 3.28Å; H417-D420 PolarHBondContact O-N 3.21Å; H417-R421 VanDerWaalsContact NE2-CD 3.35Å; H417-R421 WeakPolarHBondContact NE2-CD 3.23Å; H417-R421 WeakPolarHBondContact O-CG 3.37Å; H417-R421 PolarHBondContact O-N 2.97Å
418	C	95.9	Very high	91.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-40.2	174.2	-68.6	0	0	0	0	112.3	R414 A415 R421 S422 C436 V438	R414-C418 PolarHBondContact O-N 3.04Å; R414-C418 PolarHBondContact O-SG 3.41Å; A415-C418 WeakPolarHBondContact O-CB 3.26Å; A415-C418 PolarHBondContact O-N 2.75Å; C418-R421 PolarHBondContact O-N 3.35Å; C418-S422 PolarHBondContact O-N 3.3Å; C418-C436 WeakPolarHBondContact CA-SG 3.35Å; C418-C436 HydrophobicContact CB-CB 3.6Å; C418-C436 WeakPolarHBondContact CB-SG 3.38Å; C418-C436 WeakPolarHBondContact SG-CA 3.49Å; C418-C436 WeakPolarHBondContact SG-CB 3.37Å; C418-C436 CovalentContact SG-SG 2.03Å; C418-C436 PolarHBondContact SG-SG 2.95Å; C418-V438 HydrophobicContact CB-CG1 3.72Å
419	W	96.6	Very high	90.3	Very high	15 Å²	15	53.6 Å²	53.6	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-42.6	176.6	178.5	63	0	0	0	112.8	L233 R266 G267 P336 F338 A385 A415 L416 H417 R421 S422 L423 V438	L233-W419 HydrophobicContact CD1-CH2 4.16Å; L233-W419 HydrophobicContact CD1-CZ3 3.94Å; R266-W419 HydrophobicContact CB-CH2 3.84Å; G267-W419 VanDerWaalsContact O-CH2 3.29Å; G267-W419 WeakPolarHBondContact O-CH2 3.05Å; P336-W419 HydrophobicContact CB-CZ2 3.88Å; F338-W419 HydrophobicContact CB-CD2 4.01Å; F338-W419 HydrophobicContact CB-CE3 3.89Å; F338-W419 HydrophobicContact CB-CH2 3.9Å; F338-W419 HydrophobicContact CB-CZ2 4.04Å; F338-W419 HydrophobicContact CB-CZ3 3.84Å; F338-W419 HydrophobicContact CD2-CB 3.74Å; F338-W419 AromaticContact CD2-CD2 3.75Å; F338-W419 HydrophobicContact CD2-CD2 3.75Å; F338-W419 HydrophobicContact CD2-CE3 4.01Å; F338-W419 AromaticContact CD2-CG 3.65Å; F338-W419 HydrophobicContact CD2-CG 3.65Å; F338-W419 HydrophobicContact CE2-CB 3.98Å; F338-W419 HydrophobicContact CE2-CG 4.34Å; F338-W419 HydrophobicContact CG-CD2 4.36Å; F338-W419 HydrophobicContact CG-CE3 4.36Å; A385-W419 HydrophobicContact CB-CG 4.23Å; A415-W419 PolarHBondContact O-N 3Å; L416-W419 HydrophobicContact CD2-CE3 4.37Å; L416-W419 PolarHBondContact O-N 2.85Å; H417-W419 VanDerWaalsContact C-N 3.29Å; H417-W419 PolarHBondContact O-N 3.28Å; W419-R421 VanDerWaalsContact C-N 3.28Å; W419-R421 PolarHBondContact O-N 3Å; W419-S422 PolarHBondContact O-N 3.33Å; W419-S422 PolarHBondContact O-OG 3.32Å; W419-L423 HydrophobicContact CD2-CD1 4.14Å; W419-L423 HydrophobicContact CZ2-CD1 3.88Å; W419-L423 WeakPolarHBondContact O-CG 3.32Å; W419-L423 PolarHBondContact O-N 2.94Å; W419-L423 VanDerWaalsContact O-N 3.14Å; W419-V438 HydrophobicContact CB-CG1 3.94Å
420	D	93.5	Very high	89.4	Confident	37 Å²	37	56.5 Å²	56.5	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-42.5	174.3	-173.9	29.3	0	0	0	111.4	R266 L416 H417 H424	R266-D420 IonicContact CZ-OD1 3.66Å; R266-D420 IonicContact NH1-OD1 2.66Å; R266-D420 PolarHBondContact NH1-OD1 3.13Å; R266-D420 IonicContact NH2-OD1 3.8Å; L416-D420 PolarHBondContact O-N 3.49Å; H417-D420 PolarHBondContact O-N 3.21Å; D420-H424 PolarHBondContact O-N 3.42Å; D420-H424 VanDerWaalsContact O-N 3.14Å
421	R	90.7	Very high	88	Confident	109 Å²	109	61.1 Å²	61.1	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-44.2	175.2	-74	-176.2	62.8	178.5	1.3	112.9	H417 C418 W419 L423 H424 D425	H417-R421 VanDerWaalsContact NE2-CD 3.35Å; H417-R421 WeakPolarHBondContact NE2-CD 3.23Å; H417-R421 WeakPolarHBondContact O-CG 3.37Å; H417-R421 PolarHBondContact O-N 2.97Å; C418-R421 PolarHBondContact O-N 3.35Å; W419-R421 VanDerWaalsContact C-N 3.28Å; W419-R421 PolarHBondContact O-N 3Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.11Å; R421-H424 WeakPolarHBondContact O-CB 3.48Å; R421-H424 PolarHBondContact O-N 3.16Å; R421-H424 VanDerWaalsContact O-N 3.1Å; R421-D425 WeakPolarHBondContact O-CB 3.39Å; R421-D425 PolarHBondContact O-N 3.3Å
422	S	91.7	Very high	86.4	Confident	34 Å²	34	65 Å²	65	24%	0.238	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-36.6	-178.5	72.4	0	0	0	0	112.1	C418 W419 S426	C418-S422 PolarHBondContact O-N 3.3Å; W419-S422 PolarHBondContact O-N 3.33Å; W419-S422 PolarHBondContact O-OG 3.32Å; S422-S426 VanDerWaalsContact O-CB 3.24Å; S422-S426 WeakPolarHBondContact O-CB 3.47Å; S422-S426 PolarHBondContact O-N 3.37Å
423	L	90.6	Very high	84.9	Confident	39 Å²	39	66.1 Å²	66.1	20%	0.204	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-35.1	174.1	-65.7	176.3	0	0	0	112.4	R266 P336 W419 R421 R427	R266-L423 HydrophobicContact CG-CD1 4.46Å; P336-L423 HydrophobicContact CB-CD1 4.02Å; P336-L423 HydrophobicContact CB-CD2 4.05Å; P336-L423 HydrophobicContact CG-CD1 4.41Å; P336-L423 HydrophobicContact CG-CD2 4.09Å; W419-L423 HydrophobicContact CD2-CD1 4.14Å; W419-L423 HydrophobicContact CZ2-CD1 3.88Å; W419-L423 WeakPolarHBondContact O-CG 3.32Å; W419-L423 PolarHBondContact O-N 2.94Å; W419-L423 VanDerWaalsContact O-N 3.14Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.11Å; L423-R427 PolarHBondContact O-N 2.71Å
424	H	82.3	Confident	83.5	Confident	93 Å²	93	75.9 Å²	75.9	43%	0.431	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-43.2	174.2	-170.4	67.2	0	0	0	112.6	D420 R421 R427 N428	D420-H424 PolarHBondContact O-N 3.42Å; D420-H424 VanDerWaalsContact O-N 3.14Å; R421-H424 WeakPolarHBondContact O-CB 3.48Å; R421-H424 PolarHBondContact O-N 3.16Å; R421-H424 VanDerWaalsContact O-N 3.1Å; H424-R427 PolarHBondContact O-N 2.91Å; H424-N428 PolarHBondContact CD2-ND2 3.12Å; H424-N428 PolarHBondContact CE1-ND2 3.26Å; H424-N428 PolarHBondContact NE2-ND2 3.29Å; H424-N428 PolarHBondContact O-N 3.27Å; H424-N428 PolarHBondContact O-ND2 3.41Å
425	D	78.9	Confident	82.7	Confident	22 Å²	22	73.9 Å²	73.9	12%	0.118	39%	0.387	C	S	.	.	H	α-helix	trans	-70.8	-41	-178.2	-74.3	-27.3	0	0	0	111.8	R421 R427 N428 N429 K430	R421-D425 WeakPolarHBondContact O-CB 3.39Å; R421-D425 PolarHBondContact O-N 3.3Å; D425-R427 VanDerWaalsContact C-N 3.28Å; D425-R427 PolarHBondContact O-N 3.48Å; D425-N428 CarbonylContact O-C 3.22Å; D425-N428 WeakPolarHBondContact O-CA 3.5Å; D425-N428 PolarHBondContact O-N 3.05Å; D425-N429 PolarHBondContact O-N 3.05Å; D425-K430 HydrophobicContact CB-CB 3.95Å; D425-K430 PolarHBondContact O-N 3.19Å
426	S	74.8	Confident	82.2	Confident	87 Å²	87	75 Å²	75	61%	0.608	40%	0.395	S	S	*	.	H	α-helix	trans	-56.6	-42.2	173.3	174.4	0	0	0	0	111.7	S422 N428 N429	S422-S426 VanDerWaalsContact O-CB 3.24Å; S422-S426 WeakPolarHBondContact O-CB 3.47Å; S422-S426 PolarHBondContact O-N 3.37Å; S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.98Å; S426-N429 PolarHBondContact O-N 3.28Å
427	R	76.4	Confident	82	Confident	163 Å²	163	77 Å²	77	62%	0.615	41%	0.408	S	S	*	.	H	α-helix	trans	-64.3	-31.5	175.4	-177.1	179.6	172.9	175.4	1.7	113.1	L423 H424 D425	L423-R427 PolarHBondContact O-N 2.71Å; H424-R427 PolarHBondContact O-N 2.91Å; D425-R427 VanDerWaalsContact C-N 3.28Å; D425-R427 PolarHBondContact O-N 3.48Å
428	N	75.4	Confident	81.9	Confident	74 Å²	74	75.7 Å²	75.7	40%	0.396	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.4	-179.1	-66.4	-33.6	0	0	0	113	H424 D425 S426 K430	H424-N428 PolarHBondContact CD2-ND2 3.12Å; H424-N428 PolarHBondContact CE1-ND2 3.26Å; H424-N428 PolarHBondContact NE2-ND2 3.29Å; H424-N428 PolarHBondContact O-N 3.27Å; H424-N428 PolarHBondContact O-ND2 3.41Å; D425-N428 CarbonylContact O-C 3.22Å; D425-N428 WeakPolarHBondContact O-CA 3.5Å; D425-N428 PolarHBondContact O-N 3.05Å; S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.98Å; N428-K430 HydrophobicContact CB-CD 4.36Å; N428-K430 HydrophobicContact CB-CG 4.17Å; N428-K430 PolarHBondContact O-N 2.99Å
429	N	76.9	Confident	82	Confident	156 Å²	156	79 Å²	79	83%	0.834	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	33	-175.5	-65.1	-29.6	0	0	0	113.8	D425 S426	D425-N429 PolarHBondContact O-N 3.05Å; S426-N429 PolarHBondContact O-N 3.28Å
430	K	75.9	Confident	82	Confident	120 Å²	120	78.4 Å²	78.4	52%	0.522	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-92.4	145.1	177.4	-69.1	-175.7	-178.8	-179.4	0	110.6	D425 N428	D425-K430 HydrophobicContact CB-CB 3.95Å; D425-K430 PolarHBondContact O-N 3.19Å; N428-K430 HydrophobicContact CB-CD 4.36Å; N428-K430 HydrophobicContact CB-CG 4.17Å; N428-K430 PolarHBondContact O-N 2.99Å
431	P	67.9	Low	82.2	Confident	109 Å²	109	77.2 Å²	77.2	71%	0.708	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-63.8	147.5	176	26.8	-33.5	0	0	0	110.7
432	P	64	Low	82.5	Confident	109 Å²	109	72.9 Å²	72.9	71%	0.708	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-59.5	141.9	-177.8	21.7	-31.3	0	0	0	111.5	K434	P432-K434 PolarHBondContact O-N 3.4Å
433	P	65.6	Low	82.6	Confident	25 Å²	25	76.3 Å²	76.3	16%	0.162	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-63.1	123.1	-176.7	21.6	-30.4	0	0	0	111.2	A435 C436	P433-A435 PolarHBondContact O-N 3.26Å; P433-C436 HydrophobicContact CB-CB 4.11Å; P433-C436 HydrophobicContact CG-CB 3.82Å; P433-C436 PolarHBondContact O-N 3.4Å
434	K	68.6	Low	82.5	Confident	208 Å²	208	76 Å²	76	90%	0.904	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.5	171.3	-68.3	-177	179.4	179.9	0	109	P432	P432-K434 PolarHBondContact O-N 3.4Å
435	A	79.6	Confident	82.5	Confident	83 Å²	83	74 Å²	74	69%	0.686	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	29.7	-179.8	0	0	0	0	0	117.2	P433	P433-A435 PolarHBondContact O-N 3.26Å
436	C	86.8	Confident	82.7	Confident	25 Å²	25	75.6 Å²	75.6	17%	0.169	41%	0.412	C	S	.	.			trans	-123.9	77.9	173.3	-128	0	0	0	0	112	C418 P433	C418-C436 WeakPolarHBondContact CA-SG 3.35Å; C418-C436 HydrophobicContact CB-CB 3.6Å; C418-C436 WeakPolarHBondContact CB-SG 3.38Å; C418-C436 WeakPolarHBondContact SG-CA 3.49Å; C418-C436 WeakPolarHBondContact SG-CB 3.37Å; C418-C436 CovalentContact SG-SG 2.03Å; C418-C436 PolarHBondContact SG-SG 2.95Å; P433-C436 HydrophobicContact CB-CB 4.11Å; P433-C436 HydrophobicContact CG-CB 3.82Å; P433-C436 PolarHBondContact O-N 3.4Å
437	P	93.4	Very high	83.3	Confident	50 Å²	50	71.5 Å²	71.5	33%	0.325	38%	0.383	S	S	.	.			trans	-71.7	141.7	-178.3	30.7	-34.4	0	0	0	111.5	T410 L440	T410-P437 HydrophobicContact CG2-CG 4.26Å; P437-L440 HydrophobicContact CB-CD2 3.89Å; P437-L440 HydrophobicContact CB-CG 4.31Å; P437-L440 HydrophobicContact CG-CD1 4.45Å; P437-L440 HydrophobicContact CG-CD2 3.94Å; P437-L440 HydrophobicContact CG-CG 4.5Å
438	V	95.3	Very high	83.9	Confident	32 Å²	32	64.2 Å²	64.2	19%	0.194	36%	0.356	C	S	.	.			trans	-122.2	-12.3	177.5	-63.2	0	0	0	0	113.4	A385 M386 C418 W419	A385-V438 CarbonylContact C-O 3.58Å; A385-V438 WeakPolarHBondContact CA-O 3.4Å; M386-V438 PolarHBondContact N-O 3.38Å; C418-V438 HydrophobicContact CB-CG1 3.72Å; W419-V438 HydrophobicContact CB-CG1 3.94Å
439	H	96.6	Very high	84.5	Confident	68 Å²	68	62.1 Å²	62.1	32%	0.315	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98	173.1	-177.4	98.5	0	0	0	108.6	K381 V383 M386	K381-H439 PolarHBondContact O-CE1 3.04Å; V383-H439 PolarHBondContact O-CE1 2.65Å; V383-H439 PolarHBondContact O-ND1 3.31Å; M386-H439 VanDerWaalsContact CE-CE1 3.49Å; M386-H439 WeakPolarHBondContact CE-CE1 3.43Å
440	L	97.9	Very high	85.2	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	101.9	-170.2	-70.8	169	0	0	0	109.8	M386 F387 A388 V407 K408 T410 A415 P437	M386-L440 PolarHBondContact O-N 3.05Å; M386-L440 PolarHBondContact SD-N 3.19Å; F387-L440 CarbonylContact C-O 3.58Å; F387-L440 VanDerWaalsContact CA-O 3.26Å; F387-L440 WeakPolarHBondContact CA-O 3.42Å; F387-L440 HydrophobicContact CD2-CB 3.96Å; F387-L440 HydrophobicContact CD2-CD1 3.85Å; F387-L440 HydrophobicContact CE2-CD1 4.17Å; A388-L440 PolarHBondContact N-O 3.09Å; V407-L440 HydrophobicContact CB-CB 4.05Å; V407-L440 HydrophobicContact CG1-CB 3.9Å; K408-L440 HydrophobicContact CB-CD2 4.38Å; T410-L440 HydrophobicContact CG2-CD1 3.59Å; A415-L440 HydrophobicContact CB-CD1 3.63Å; P437-L440 HydrophobicContact CB-CD2 3.89Å; P437-L440 HydrophobicContact CB-CG 4.31Å; P437-L440 HydrophobicContact CG-CD1 4.45Å; P437-L440 HydrophobicContact CG-CD2 3.94Å; P437-L440 HydrophobicContact CG-CG 4.5Å
441	I	97.7	Very high	85.8	Confident	12 Å²	12	53.6 Å²	53.6	6%	0.062	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.2	175.9	-176.1	152.8	0	0	0	110.9	L343 R377 L380 M386 A388 K408	L343-I441 HydrophobicContact CD1-CG1 4.43Å; L343-I441 HydrophobicContact CD2-CD1 4Å; L343-I441 HydrophobicContact CD2-CG1 4.39Å; R377-I441 HydrophobicContact CB-CD1 3.95Å; R377-I441 HydrophobicContact CG-CD1 3.62Å; R377-I441 HydrophobicContact CG-CG1 4.31Å; L380-I441 HydrophobicContact CB-CD1 4.28Å; L380-I441 HydrophobicContact CD1-CD1 4.26Å; M386-I441 HydrophobicContact CE-CB 3.54Å; M386-I441 HydrophobicContact CE-CD1 3.55Å; M386-I441 HydrophobicContact CE-CG1 4.13Å; M386-I441 HydrophobicContact CE-CG2 3.88Å; M386-I441 HydrophobicContact SD-CB 3.87Å; M386-I441 HydrophobicContact SD-CG2 4.35Å; A388-I441 HydrophobicContact CB-CB 4.07Å; A388-I441 HydrophobicContact CB-CD1 3.82Å; A388-I441 HydrophobicContact CB-CG1 3.8Å; A388-I441 WeakPolarHBondContact O-CA 3.43Å; K408-I441 VanDerWaalsContact CE-O 3.23Å; K408-I441 WeakPolarHBondContact CE-O 3.44Å; K408-I441 PolarHBondContact NZ-O 3.41Å
442	D	96.8	Very high	87	Confident	18 Å²	18	50.3 Å²	50.3	10%	0.096	29%	0.29	C	S	.	.			trans	-75.7	145.6	171	-80.8	-28.6	0	0	0	111.5	L343 R377 A388 P389 A390 N450	L343-D442 HydrophobicContact CD1-CB 4.46Å; R377-D442 PolarHBondContact NE-O 2.99Å; R377-D442 PolarHBondContact NH2-O 2.74Å; A388-D442 PolarHBondContact O-N 3.47Å; P389-D442 VanDerWaalsContact CA-OD2 3.26Å; P389-D442 WeakPolarHBondContact CA-OD2 2.95Å; A390-D442 HydrophobicContact CB-CB 3.56Å; A390-D442 PolarHBondContact N-OD2 3Å; D442-N450 WeakPolarHBondContact OD2-CB 3.44Å; D442-N450 PolarHBondContact OD2-ND2 3.01Å
443	N	92.9	Very high	88.4	Confident	106 Å²	106	46.1 Å²	46.1	57%	0.567	26%	0.263	S	S	*	.			trans	-104.2	-11.8	-177.8	-70.2	-23.3	0	0	0	113.4	R377	R377-N443 PolarHBondContact NH1-O 3.19Å; R377-N443 PolarHBondContact NH2-O 3.16Å
444	C	88.3	Confident	89.6	Confident	32 Å²	32	45.6 Å²	45.6	22%	0.216	26%	0.259	C	S	.	.			trans	-70.8	143.9	-178.5	47.6	0	0	0	0	111.5	R377 C449	R377-C444 PolarHBondContact NH2-O 3.28Å; C444-C449 HydrophobicContact CB-CB 3.48Å; C444-C449 VanDerWaalsContact CB-CB 3.48Å; C444-C449 WeakPolarHBondContact CB-SG 3.46Å; C444-C449 WeakPolarHBondContact SG-CB 3.37Å; C444-C449 CovalentContact SG-SG 2Å; C444-C449 PolarHBondContact SG-SG 3.41Å
445	P	82.7	Confident	90.2	Very high	52 Å²	52	39.8 Å²	39.8	34%	0.338	24%	0.241	S	C	.	.	S	Bend	trans	-94.3	7.7	-165.4	33.3	-33	0	0	0	115.5
446	W	82.9	Confident	90.1	Very high	56 Å²	56	36.2 Å²	36.2	21%	0.212	21%	0.211	C	C	.	.	S	Bend	trans	-131.2	152.5	-178.8	62.4	88.7	0	0	0	112.4	F344 W366 C449	F344-W446 WeakPolarHBondContact CE2-O 3.38Å; W366-W446 HydrophobicContact CH2-CB 3.77Å; W366-W446 HydrophobicContact CZ2-CB 3.77Å; W446-C449 HydrophobicContact CD2-CB 4.05Å; W446-C449 HydrophobicContact CG-CB 4.1Å; W446-C449 HydrophobicContact CZ2-CB 3.98Å; W446-C449 VanDerWaalsContact NE1-CB 3.29Å; W446-C449 WeakPolarHBondContact O-CB 3Å; W446-C449 PolarHBondContact O-N 2.93Å; W446-C449 PolarHBondContact O-SG 2.01Å
447	P	87.9	Confident	89.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	142.5	176.7	24.4	-34.4	0	0	0	111.6	F344 W366 I369 L392 C449 F470 M474	F344-P447 HydrophobicContact CB-CB 4.19Å; F344-P447 HydrophobicContact CD1-CB 4.47Å; F344-P447 VanDerWaalsContact CD2-CA 3.46Å; F344-P447 HydrophobicContact CD2-CB 3.74Å; F344-P447 HydrophobicContact CE2-CB 4.22Å; F344-P447 HydrophobicContact CG-CB 3.88Å; W366-P447 HydrophobicContact CH2-CG 4.09Å; W366-P447 HydrophobicContact CZ3-CG 3.86Å; I369-P447 HydrophobicContact CG2-CG 4.25Å; L392-P447 HydrophobicContact CB-CB 4.09Å; P447-C449 PolarHBondContact O-N 2.98Å; P447-F470 HydrophobicContact CB-CE1 4.18Å; P447-F470 HydrophobicContact CB-CZ 4.33Å; P447-F470 HydrophobicContact CG-CE1 4.13Å; P447-F470 HydrophobicContact CG-CZ 4.27Å; P447-M474 HydrophobicContact CG-CE 4.3Å
448	H	88.2	Confident	88.1	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.046	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	20.7	-178.5	-74.5	-86.7	0	0	0	115.4	A390 L392 N450 C453 P454 I456 V467 F470	A390-H448 PolarHBondContact O-N 3.25Å; L392-H448 PolarHBondContact N-NE2 2.99Å; L392-H448 PolarHBondContact O-NE2 3.41Å; L392-H448 VanDerWaalsContact O-NE2 3.12Å; H448-N450 PolarHBondContact O-N 2Å; H448-C453 VanDerWaalsContact CE1-CB 3.44Å; H448-C453 WeakPolarHBondContact CE1-CB 3.4Å; H448-C453 WeakPolarHBondContact ND1-CB 3.27Å; H448-P454 PolarHBondContact CE1-O 3.49Å; H448-P454 VanDerWaalsContact CE1-O 3.26Å; H448-I456 HydrophobicContact CB-CD1 4.37Å; H448-I456 VanDerWaalsContact CD2-CD1 3.5Å; H448-I456 WeakPolarHBondContact CD2-CD1 3.33Å; H448-I456 WeakPolarHBondContact CE1-CG1 3.36Å; H448-I456 WeakPolarHBondContact NE2-CG1 3.16Å; H448-V467 HydrophobicContact CB-CG1 4.29Å; H448-F470 HydrophobicContact CB-CE1 4.46Å; H448-F470 AromaticContact CD2-CE1 3.78Å
449	C	88.5	Confident	86.5	Confident	29 Å²	29	42.6 Å²	42.6	20%	0.196	23%	0.226	C	C	.	.			trans	-69.2	-19.9	167.5	57.7	0	0	0	0	113	A390 C444 W446 P447	A390-C449 WeakPolarHBondContact CB-SG 3.35Å; C444-C449 HydrophobicContact CB-CB 3.48Å; C444-C449 VanDerWaalsContact CB-CB 3.48Å; C444-C449 WeakPolarHBondContact CB-SG 3.46Å; C444-C449 WeakPolarHBondContact SG-CB 3.37Å; C444-C449 CovalentContact SG-SG 2Å; C444-C449 PolarHBondContact SG-SG 3.41Å; W446-C449 HydrophobicContact CD2-CB 4.05Å; W446-C449 HydrophobicContact CG-CB 4.1Å; W446-C449 HydrophobicContact CZ2-CB 3.98Å; W446-C449 VanDerWaalsContact NE1-CB 3.29Å; W446-C449 WeakPolarHBondContact O-CB 3Å; W446-C449 PolarHBondContact O-N 2.93Å; W446-C449 PolarHBondContact O-SG 2.01Å; P447-C449 PolarHBondContact O-N 2.98Å
450	N	90.8	Very high	84.9	Confident	11 Å²	11	46 Å²	46	6%	0.059	24%	0.24	C	C	.	.	S	Bend	trans	-84.5	124.4	173.1	-179.8	-28.6	0	0	0	109.8	Q406 D442 H448 T452 C453	Q406-N450 PolarHBondContact O-ND2 3.06Å; D442-N450 WeakPolarHBondContact OD2-CB 3.44Å; D442-N450 PolarHBondContact OD2-ND2 3.01Å; H448-N450 PolarHBondContact O-N 2Å; N450-T452 PolarHBondContact O-N 3.27Å; N450-T452 PolarHBondContact OD1-N 2.69Å; N450-T452 PolarHBondContact OD1-OG1 2.87Å; N450-C453 WeakPolarHBondContact O-CB 3.23Å; N450-C453 PolarHBondContact O-N 2.74Å; N450-C453 PolarHBondContact O-SG 3.03Å
451	P	89.3	Confident	83.4	Confident	87 Å²	87	50.1 Å²	50.1	57%	0.565	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.7	-175.2	30.8	-37.2	0	0	0	114.2	C453 G499	P451-C453 VanDerWaalsContact C-N 3.32Å; P451-G499 VanDerWaalsContact CB-C 3.5Å; P451-G499 WeakPolarHBondContact CB-O 2.94Å; P451-G499 WeakPolarHBondContact CG-O 3.02Å
452	T	93.4	Very high	81.9	Confident	40 Å²	40	51.6 Å²	51.6	25%	0.245	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	7.6	176.9	68.5	0	0	0	0	113	Q406 N450	Q406-T452 HydrophobicContact CB-CG2 4.08Å; Q406-T452 HydrophobicContact CG-CG2 4.34Å; Q406-T452 PolarHBondContact N-OG1 2.95Å; Q406-T452 PolarHBondContact O-OG1 2.84Å; Q406-T452 VanDerWaalsContact O-OG1 3.1Å; N450-T452 PolarHBondContact O-N 3.27Å; N450-T452 PolarHBondContact OD1-N 2.69Å; N450-T452 PolarHBondContact OD1-OG1 2.87Å
453	C	93.3	Very high	80.7	Confident	20 Å²	20	57.4 Å²	57.4	14%	0.135	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-57.9	146.5	174.4	-69.7	0	0	0	0	111.5	C391 H448 N450 P451	C391-C453 WeakPolarHBondContact CA-SG 3.31Å; C391-C453 HydrophobicContact CB-CB 3.68Å; C391-C453 WeakPolarHBondContact CB-SG 3.3Å; C391-C453 WeakPolarHBondContact SG-CA 3.48Å; C391-C453 WeakPolarHBondContact SG-CB 3.42Å; C391-C453 CovalentContact SG-SG 2.01Å; C391-C453 PolarHBondContact SG-SG 3.2Å; H448-C453 VanDerWaalsContact CE1-CB 3.44Å; H448-C453 WeakPolarHBondContact CE1-CB 3.4Å; H448-C453 WeakPolarHBondContact ND1-CB 3.27Å; N450-C453 WeakPolarHBondContact O-CB 3.23Å; N450-C453 PolarHBondContact O-N 2.74Å; N450-C453 PolarHBondContact O-SG 3.03Å; P451-C453 VanDerWaalsContact C-N 3.32Å
454	P	90.9	Very high	79.9	Confident	14 Å²	14	58 Å²	58	9%	0.091	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-61	157.7	174.7	27.4	-34.3	0	0	0	111.1	W342 Y401 H448 I456	W342-P454 HydrophobicContact CH2-CG 4.2Å; Y401-P454 HydrophobicContact CD2-CB 3.99Å; Y401-P454 HydrophobicContact CE1-CB 4.33Å; Y401-P454 HydrophobicContact CE2-CB 3.69Å; Y401-P454 HydrophobicContact CE2-CG 4.1Å; Y401-P454 HydrophobicContact CG-CB 4.46Å; H448-P454 PolarHBondContact CE1-O 3.49Å; H448-P454 VanDerWaalsContact CE1-O 3.26Å; P454-I456 PolarHBondContact O-N 2.77Å
455	T	81.5	Confident	79.1	Confident	86 Å²	86	57.9 Å²	57.9	53%	0.528	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.7	135.9	176.4	-37.5	0	0	0	0	110.4	E464	T455-E464 HydrophobicContact CG2-CB 4.05Å; T455-E464 HydrophobicContact CG2-CG 4.08Å
456	I	77.3	Confident	78.6	Confident	8 Å²	8	58 Å²	58	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.4	-179.3	-55.9	176.6	0	0	0	108.3	H448 P454 E464 M465 V467 F470	H448-I456 HydrophobicContact CB-CD1 4.37Å; H448-I456 VanDerWaalsContact CD2-CD1 3.5Å; H448-I456 WeakPolarHBondContact CD2-CD1 3.33Å; H448-I456 WeakPolarHBondContact CE1-CG1 3.36Å; H448-I456 WeakPolarHBondContact NE2-CG1 3.16Å; P454-I456 PolarHBondContact O-N 2.77Å; I456-E464 CarbonylContact O-C 3.4Å; I456-E464 WeakPolarHBondContact O-CA 3.3Å; I456-M465 HydrophobicContact CB-CB 4.28Å; I456-M465 HydrophobicContact CG2-CB 4.23Å; I456-M465 PolarHBondContact O-N 3.41Å; I456-V467 HydrophobicContact CD1-CG2 4.47Å; I456-F470 HydrophobicContact CD1-CB 3.3Å; I456-F470 HydrophobicContact CD1-CD1 3.38Å; I456-F470 HydrophobicContact CD1-CD2 3.92Å; I456-F470 HydrophobicContact CD1-CE1 4.11Å; I456-F470 HydrophobicContact CD1-CG 3.24Å; I456-F470 HydrophobicContact CG1-CB 4.5Å; I456-F470 HydrophobicContact CG1-CG 4.43Å; I456-F470 HydrophobicContact CG2-CB 4.25Å; I456-F470 HydrophobicContact CG2-CD2 3.72Å; I456-F470 HydrophobicContact CG2-CE2 4.31Å; I456-F470 HydrophobicContact CG2-CG 4.11Å
457	R	71.4	Confident	77.9	Confident	144 Å²	144	57.7 Å²	57.7	54%	0.543	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.1	175.7	-65.4	-176.1	174.3	-152.5	-9.5	109.2	Q459 Q463 E464	R457-Q459 PolarHBondContact O-N 2.92Å; R457-Q463 WeakPolarHBondContact CA-O 3.5Å; R457-E464 HydrophobicContact CG-CG 4.29Å; R457-E464 IonicContact CZ-OE1 3.54Å; R457-E464 IonicContact NE-OE1 3.06Å; R457-E464 IonicContact NH2-OE1 2.87Å; R457-E464 PolarHBondContact NH2-OE1 3.47Å
458	D	65.6	Low	77	Confident	26 Å²	26	58.9 Å²	58.9	14%	0.139	32%	0.32	C	S	.	.			trans	-61.1	129.9	172.7	175.6	-91.2	0	0	0	109.5	F460 T461 G462 Q463 M465	D458-F460 PolarHBondContact O-N 2.84Å; D458-F460 PolarHBondContact OD1-N 2.87Å; D458-T461 VanDerWaalsContact CB-OG1 3.27Å; D458-T461 WeakPolarHBondContact CB-OG1 3.46Å; D458-T461 VanDerWaalsContact CG-OG1 3.27Å; D458-T461 WeakPolarHBondContact OD1-CB 3.43Å; D458-T461 WeakPolarHBondContact OD1-CG2 3.27Å; D458-T461 PolarHBondContact OD1-N 3.13Å; D458-T461 PolarHBondContact OD1-OG1 2.76Å; D458-G462 VanDerWaalsContact O-CA 3.23Å; D458-G462 WeakPolarHBondContact O-CA 3.39Å; D458-G462 PolarHBondContact O-N 3.25Å; D458-Q463 PolarHBondContact N-O 2.84Å; D458-M465 HydrophobicContact CB-CG 4.43Å; D458-M465 HydrophobicContact CB-SD 3.84Å
459	Q	62.1	Low	76.2	Confident	72 Å²	72	63.2 Å²	63.2	34%	0.336	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.1	-171.2	-68.3	-177.2	-19.6	0	0	113.2	R457	R457-Q459 PolarHBondContact O-N 2.92Å
460	F	63	Low	75.6	Confident	139 Å²	139	62.2 Å²	62.2	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-43.8	-176.7	-67.1	-87.3	0	0	0	112.5	T357 D458	T357-F460 HydrophobicContact CG2-CD2 4.45Å; T357-F460 HydrophobicContact CG2-CE2 3.49Å; T357-F460 VanDerWaalsContact CG2-CE2 3.49Å; T357-F460 HydrophobicContact CG2-CZ 3.89Å; D458-F460 PolarHBondContact O-N 2.84Å; D458-F460 PolarHBondContact OD1-N 2.87Å
461	T	67.4	Low	74.6	Confident	90 Å²	90	61.8 Å²	61.8	55%	0.552	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-19.5	-173.9	64.3	0	0	0	0	112.7	D458 Q463	D458-T461 VanDerWaalsContact CB-OG1 3.27Å; D458-T461 WeakPolarHBondContact CB-OG1 3.46Å; D458-T461 VanDerWaalsContact CG-OG1 3.27Å; D458-T461 WeakPolarHBondContact OD1-CB 3.43Å; D458-T461 WeakPolarHBondContact OD1-CG2 3.27Å; D458-T461 PolarHBondContact OD1-N 3.13Å; D458-T461 PolarHBondContact OD1-OG1 2.76Å; T461-Q463 PolarHBondContact O-N 3.39Å; T461-Q463 PolarHBondContact OG1-N 3.32Å
462	G	66.4	Low	73.6	Confident	43 Å²	43	62.2 Å²	62.2	44%	0.443	33%	0.326	S	S	.	.			trans	67.3	7.5	-174.6	0	0	0	0	0	114	D458	D458-G462 VanDerWaalsContact O-CA 3.23Å; D458-G462 WeakPolarHBondContact O-CA 3.39Å; D458-G462 PolarHBondContact O-N 3.25Å
463	Q	71.3	Confident	72.5	Confident	139 Å²	139	63.3 Å²	63.3	65%	0.65	33%	0.328	S	S	*	.			trans	-74.2	144.6	179.5	-68.5	-168.8	-10.6	0	0	110.9	R457 D458 T461	R457-Q463 WeakPolarHBondContact CA-O 3.5Å; D458-Q463 PolarHBondContact N-O 2.84Å; T461-Q463 PolarHBondContact O-N 3.39Å; T461-Q463 PolarHBondContact OG1-N 3.32Å
464	E	76.8	Confident	71.3	Confident	119 Å²	119	62.5 Å²	62.5	56%	0.556	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.8	178.1	-66.2	-173	167.3	0	0	110.9	T455 I456 R457	T455-E464 HydrophobicContact CG2-CB 4.05Å; T455-E464 HydrophobicContact CG2-CG 4.08Å; I456-E464 CarbonylContact O-C 3.4Å; I456-E464 WeakPolarHBondContact O-CA 3.3Å; R457-E464 HydrophobicContact CG-CG 4.29Å; R457-E464 IonicContact CZ-OE1 3.54Å; R457-E464 IonicContact NE-OE1 3.06Å; R457-E464 IonicContact NH2-OE1 2.87Å; R457-E464 PolarHBondContact NH2-OE1 3.47Å
465	M	70.9	Confident	70	Confident	29 Å²	29	63.7 Å²	63.7	14%	0.143	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.7	177.6	-61.1	177.6	69.2	0	0	109	I456 D458 H473	I456-M465 HydrophobicContact CB-CB 4.28Å; I456-M465 HydrophobicContact CG2-CB 4.23Å; I456-M465 PolarHBondContact O-N 3.41Å; D458-M465 HydrophobicContact CB-CG 4.43Å; D458-M465 HydrophobicContact CB-SD 3.84Å; M465-H473 WeakPolarHBondContact CE-CD2 3.48Å; M465-H473 WeakPolarHBondContact CE-NE2 3.35Å
466	S	71.8	Confident	69.4	Low	56 Å²	56	60.3 Å²	60.3	39%	0.392	32%	0.315	S	S	.	.			trans	-67.8	153.4	170.3	66.6	0	0	0	0	110.7	V468 Q469 F470	S466-V468 PolarHBondContact O-N 3.16Å; S466-Q469 PolarHBondContact O-N 2.72Å; S466-Q469 VanDerWaalsContact O-N 3.17Å; S466-Q469 WeakPolarHBondContact OG-CB 3.49Å; S466-Q469 WeakPolarHBondContact OG-CG 3.43Å; S466-Q469 PolarHBondContact OG-N 2.9Å; S466-Q469 PolarHBondContact OG-OE1 3.17Å; S466-F470 PolarHBondContact O-N 3.16Å
467	V	69.3	Low	69.1	Low	48 Å²	48	63.9 Å²	63.9	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-38.1	176.6	178	0	0	0	0	111.4	H448 I456 F470 L471	H448-V467 HydrophobicContact CB-CG1 4.29Å; I456-V467 HydrophobicContact CD1-CG2 4.47Å; V467-F470 PolarHBondContact O-N 3.39Å; V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.22Å; V467-L471 WeakPolarHBondContact O-CB 3.1Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.33Å; V467-L471 PolarHBondContact O-N 3.42Å
468	V	68.8	Low	69.1	Low	27 Å²	27	57.8 Å²	57.8	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-47.1	177.4	177.2	0	0	0	0	111.4	S466 F470 L471 M472 L493 L496	S466-V468 PolarHBondContact O-N 3.16Å; V468-F470 VanDerWaalsContact C-N 3.33Å; V468-F470 PolarHBondContact O-N 3.01Å; V468-L471 PolarHBondContact O-N 2.78Å; V468-M472 HydrophobicContact CG1-CE 3.81Å; V468-M472 HydrophobicContact CG1-SD 4.21Å; V468-M472 WeakPolarHBondContact O-CB 2.91Å; V468-M472 WeakPolarHBondContact O-CG 3.23Å; V468-M472 PolarHBondContact O-N 3.04Å; V468-L493 HydrophobicContact CG1-CD2 3.63Å; V468-L493 HydrophobicContact CG2-CD2 4.42Å; V468-L496 HydrophobicContact CG2-CB 4.19Å
469	Q	71.1	Confident	69.4	Low	101 Å²	101	63.1 Å²	63.1	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-49.6	175.3	-76.4	164.1	-38.3	0	0	110.1	S466 L471 M472 H473	S466-Q469 PolarHBondContact O-N 2.72Å; S466-Q469 VanDerWaalsContact O-N 3.17Å; S466-Q469 WeakPolarHBondContact OG-CB 3.49Å; S466-Q469 WeakPolarHBondContact OG-CG 3.43Å; S466-Q469 PolarHBondContact OG-N 2.9Å; S466-Q469 PolarHBondContact OG-OE1 3.17Å; Q469-L471 PolarHBondContact O-N 2.97Å; Q469-M472 PolarHBondContact O-N 2.86Å; Q469-H473 PolarHBondContact O-CD2 3.36Å; Q469-H473 PolarHBondContact O-N 3.28Å
470	F	74.5	Confident	70	Confident	7 Å²	7	64.5 Å²	64.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-56.9	-50.2	177.5	172.3	-103.6	0	0	0	112.3	L356 L392 P447 H448 I456 S466 V467 V468 M472 H473 M474	L356-F470 HydrophobicContact CD1-CE2 4.37Å; L392-F470 HydrophobicContact CB-CZ 4.2Å; L392-F470 HydrophobicContact CD2-CD2 4.48Å; L392-F470 HydrophobicContact CD2-CE2 3.33Å; L392-F470 HydrophobicContact CD2-CZ 3.39Å; L392-F470 HydrophobicContact CG-CZ 4.43Å; P447-F470 HydrophobicContact CB-CE1 4.18Å; P447-F470 HydrophobicContact CB-CZ 4.33Å; P447-F470 HydrophobicContact CG-CE1 4.13Å; P447-F470 HydrophobicContact CG-CZ 4.27Å; H448-F470 HydrophobicContact CB-CE1 4.46Å; H448-F470 AromaticContact CD2-CE1 3.78Å; I456-F470 HydrophobicContact CD1-CB 3.3Å; I456-F470 HydrophobicContact CD1-CD1 3.38Å; I456-F470 HydrophobicContact CD1-CD2 3.92Å; I456-F470 HydrophobicContact CD1-CE1 4.11Å; I456-F470 HydrophobicContact CD1-CG 3.24Å; I456-F470 HydrophobicContact CG1-CB 4.5Å; I456-F470 HydrophobicContact CG1-CG 4.43Å; I456-F470 HydrophobicContact CG2-CB 4.25Å; I456-F470 HydrophobicContact CG2-CD2 3.72Å; I456-F470 HydrophobicContact CG2-CE2 4.31Å; I456-F470 HydrophobicContact CG2-CG 4.11Å; S466-F470 PolarHBondContact O-N 3.16Å; V467-F470 PolarHBondContact O-N 3.39Å; V468-F470 VanDerWaalsContact C-N 3.33Å; V468-F470 PolarHBondContact O-N 3.01Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 3.42Å; F470-H473 CarbonylContact O-C 3.56Å; F470-H473 WeakPolarHBondContact O-CA 3.39Å; F470-H473 WeakPolarHBondContact O-CB 3.34Å; F470-H473 PolarHBondContact O-N 2.95Å; F470-M474 HydrophobicContact CD1-CG 3.99Å; F470-M474 HydrophobicContact CD2-CG 4.06Å; F470-M474 HydrophobicContact CD2-SD 4.4Å; F470-M474 HydrophobicContact CE1-CG 3.58Å; F470-M474 HydrophobicContact CE1-SD 4.41Å; F470-M474 HydrophobicContact CE2-CG 3.65Å; F470-M474 HydrophobicContact CE2-SD 3.61Å; F470-M474 HydrophobicContact CG-CG 4.23Å; F470-M474 HydrophobicContact CZ-CE 4.18Å; F470-M474 HydrophobicContact CZ-CG 3.39Å; F470-M474 HydrophobicContact CZ-SD 3.62Å; F470-M474 VanDerWaalsContact O-CG 3.27Å; F470-M474 WeakPolarHBondContact O-CG 3.49Å; F470-M474 PolarHBondContact O-N 2.89Å
471	L	69.9	Low	70.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-43.1	179.7	-73.1	172.1	0	0	0	111.3	V467 V468 Q469 H473 M474 G475 F476 L496	V467-L471 HydrophobicContact CG1-CD1 3.81Å; V467-L471 HydrophobicContact CG1-CG 4.22Å; V467-L471 WeakPolarHBondContact O-CB 3.1Å; V467-L471 VanDerWaalsContact O-CG 3.25Å; V467-L471 WeakPolarHBondContact O-CG 3.33Å; V467-L471 PolarHBondContact O-N 3.42Å; V468-L471 PolarHBondContact O-N 2.78Å; Q469-L471 PolarHBondContact O-N 2.97Å; L471-H473 VanDerWaalsContact C-N 3.31Å; L471-H473 PolarHBondContact O-N 3.46Å; L471-M474 CarbonylContact O-C 3.44Å; L471-M474 WeakPolarHBondContact O-CA 3.18Å; L471-M474 WeakPolarHBondContact O-CB 2.96Å; L471-M474 PolarHBondContact O-N 3.42Å; L471-G475 PolarHBondContact O-N 3.19Å; L471-F476 VanDerWaalsContact C-CB 3.47Å; L471-F476 HydrophobicContact CB-CB 3.82Å; L471-F476 HydrophobicContact CB-CD1 4.34Å; L471-F476 HydrophobicContact CB-CG 4.09Å; L471-F476 HydrophobicContact CD2-CD2 4.44Å; L471-F476 WeakPolarHBondContact O-CA 3.25Å; L471-F476 WeakPolarHBondContact O-CB 3.38Å; L471-F476 PolarHBondContact O-N 3.03Å; L471-L496 HydrophobicContact CD1-CB 4.48Å; L471-L496 HydrophobicContact CD1-CD1 3.88Å; L471-L496 HydrophobicContact CD1-CD2 3.57Å; L471-L496 HydrophobicContact CD1-CG 4.16Å
472	M	69.4	Low	70.5	Confident	97 Å²	97	55.4 Å²	55.4	48%	0.478	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-40.9	173.3	-71.4	-179.3	176.6	0	0	112	V468 Q469 F470 M474 G475 V478 L493	V468-M472 HydrophobicContact CG1-CE 3.81Å; V468-M472 HydrophobicContact CG1-SD 4.21Å; V468-M472 WeakPolarHBondContact O-CB 2.91Å; V468-M472 WeakPolarHBondContact O-CG 3.23Å; V468-M472 PolarHBondContact O-N 3.04Å; Q469-M472 PolarHBondContact O-N 2.86Å; F470-M472 VanDerWaalsContact C-N 3.32Å; F470-M472 PolarHBondContact O-N 3.42Å; M472-M474 VanDerWaalsContact C-N 3.26Å; M472-M474 PolarHBondContact O-N 3.37Å; M472-G475 PolarHBondContact O-N 3.17Å; M472-G475 VanDerWaalsContact O-N 3.16Å; M472-V478 HydrophobicContact CE-CG2 4.24Å; M472-L493 HydrophobicContact CE-CD2 4.08Å
473	H	70.4	Confident	70.9	Confident	63 Å²	63	61.1 Å²	61.1	29%	0.292	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-31.1	171.2	-71.8	-66.4	0	0	0	112.3	G358 Q359 P360 V361 M465 Q469 F470 L471 G475	G358-H473 VanDerWaalsContact C-ND1 3.31Å; G358-H473 PolarHBondContact O-CE1 3.48Å; G358-H473 PolarHBondContact O-ND1 2.83Å; Q359-H473 VanDerWaalsContact O-O 3.14Å; P360-H473 CarbonylContact C-O 3.42Å; P360-H473 VanDerWaalsContact CA-O 3.23Å; P360-H473 WeakPolarHBondContact CA-O 3.3Å; V361-H473 WeakPolarHBondContact CG2-O 3.1Å; V361-H473 PolarHBondContact N-O 2.8Å; M465-H473 WeakPolarHBondContact CE-CD2 3.48Å; M465-H473 WeakPolarHBondContact CE-NE2 3.35Å; Q469-H473 PolarHBondContact O-CD2 3.36Å; Q469-H473 PolarHBondContact O-N 3.28Å; F470-H473 CarbonylContact O-C 3.56Å; F470-H473 WeakPolarHBondContact O-CA 3.39Å; F470-H473 WeakPolarHBondContact O-CB 3.34Å; F470-H473 PolarHBondContact O-N 2.95Å; L471-H473 VanDerWaalsContact C-N 3.31Å; L471-H473 PolarHBondContact O-N 3.46Å; H473-G475 PolarHBondContact O-N 3.27Å; H473-G475 VanDerWaalsContact O-N 3.17Å
474	M	66.8	Low	70.9	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.015	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	12.2	175.5	-62.5	-59.1	-72.4	0	0	113.8	L356 V361 W366 I369 P447 F470 L471 M472 F476	L356-M474 HydrophobicContact CD1-CE 4.3Å; L356-M474 HydrophobicContact CD1-SD 4.07Å; L356-M474 HydrophobicContact CD2-CE 3.85Å; L356-M474 HydrophobicContact CD2-SD 3.6Å; L356-M474 HydrophobicContact CG-SD 4.39Å; V361-M474 HydrophobicContact CG2-CE 4.19Å; V361-M474 HydrophobicContact CG2-SD 3.7Å; W366-M474 HydrophobicContact CE3-CB 3.79Å; W366-M474 HydrophobicContact CE3-CE 3.88Å; W366-M474 VanDerWaalsContact CE3-O 3.3Å; W366-M474 HydrophobicContact CH2-CB 4.17Å; W366-M474 HydrophobicContact CZ3-CB 3.41Å; W366-M474 VanDerWaalsContact CZ3-CB 3.41Å; W366-M474 HydrophobicContact CZ3-CE 3.7Å; W366-M474 HydrophobicContact CZ3-CG 4.01Å; I369-M474 HydrophobicContact CD1-CE 3.37Å; P447-M474 HydrophobicContact CG-CE 4.3Å; F470-M474 HydrophobicContact CD1-CG 3.99Å; F470-M474 HydrophobicContact CD2-CG 4.06Å; F470-M474 HydrophobicContact CD2-SD 4.4Å; F470-M474 HydrophobicContact CE1-CG 3.58Å; F470-M474 HydrophobicContact CE1-SD 4.41Å; F470-M474 HydrophobicContact CE2-CG 3.65Å; F470-M474 HydrophobicContact CE2-SD 3.61Å; F470-M474 HydrophobicContact CG-CG 4.23Å; F470-M474 HydrophobicContact CZ-CE 4.18Å; F470-M474 HydrophobicContact CZ-CG 3.39Å; F470-M474 HydrophobicContact CZ-SD 3.62Å; F470-M474 VanDerWaalsContact O-CG 3.27Å; F470-M474 WeakPolarHBondContact O-CG 3.49Å; F470-M474 PolarHBondContact O-N 2.89Å; L471-M474 CarbonylContact O-C 3.44Å; L471-M474 WeakPolarHBondContact O-CA 3.18Å; L471-M474 WeakPolarHBondContact O-CB 2.96Å; L471-M474 PolarHBondContact O-N 3.42Å; M472-M474 VanDerWaalsContact C-N 3.26Å; M472-M474 PolarHBondContact O-N 3.37Å; M474-F476 PolarHBondContact O-N 2.79Å
475	G	64.6	Low	70.4	Confident	39 Å²	39	60.5 Å²	60.5	40%	0.402	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	17.4	-179.2	0	0	0	0	0	112.9	L471 M472 H473 D477	L471-G475 PolarHBondContact O-N 3.19Å; M472-G475 PolarHBondContact O-N 3.17Å; M472-G475 VanDerWaalsContact O-N 3.16Å; H473-G475 PolarHBondContact O-N 3.27Å; H473-G475 VanDerWaalsContact O-N 3.17Å; G475-D477 PolarHBondContact O-N 2.93Å
476	F	67.9	Low	70.6	Confident	14 Å²	14	62.5 Å²	62.5	6%	0.061	34%	0.337	C	S	.	.			trans	-67.6	103.5	174.3	-171.5	-92.6	0	0	0	109.7	L471 M474 V478 M481 L492 L496	L471-F476 VanDerWaalsContact C-CB 3.47Å; L471-F476 HydrophobicContact CB-CB 3.82Å; L471-F476 HydrophobicContact CB-CD1 4.34Å; L471-F476 HydrophobicContact CB-CG 4.09Å; L471-F476 HydrophobicContact CD2-CD2 4.44Å; L471-F476 WeakPolarHBondContact O-CA 3.25Å; L471-F476 WeakPolarHBondContact O-CB 3.38Å; L471-F476 PolarHBondContact O-N 3.03Å; M474-F476 PolarHBondContact O-N 2.79Å; F476-V478 HydrophobicContact CD1-CG2 3.84Å; F476-V478 HydrophobicContact CE1-CB 4.36Å; F476-V478 HydrophobicContact CE1-CG2 3.96Å; F476-V478 PolarHBondContact O-N 3.25Å; F476-M481 HydrophobicContact CD2-CG 4.07Å; F476-M481 HydrophobicContact CE1-CB 4.13Å; F476-M481 HydrophobicContact CE1-CG 4.37Å; F476-M481 HydrophobicContact CE2-CB 3.99Å; F476-M481 HydrophobicContact CE2-CG 3.5Å; F476-M481 HydrophobicContact CE2-SD 4.17Å; F476-M481 HydrophobicContact CZ-CB 3.6Å; F476-M481 HydrophobicContact CZ-CG 3.68Å; F476-L492 HydrophobicContact CE1-CD2 4.07Å; F476-L492 HydrophobicContact CZ-CD2 4Å; F476-L496 HydrophobicContact CD1-CD1 4.37Å; F476-L496 HydrophobicContact CE1-CD1 3.61Å; F476-L496 HydrophobicContact CZ-CD1 3.97Å
477	D	70.9	Confident	70.8	Confident	84 Å²	84	62.5 Å²	62.5	45%	0.449	33%	0.331	S	S	.	.			trans	-80.3	101.4	169.4	-175.6	-23.1	0	0	0	109.1	G475 Q479 K480 M481	G475-D477 PolarHBondContact O-N 2.93Å; D477-Q479 PolarHBondContact O-N 2.94Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.23Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.5Å; D477-Q479 PolarHBondContact OD1-N 3.26Å; D477-K480 HydrophobicContact CB-CB 3.79Å; D477-K480 PolarHBondContact O-N 3.42Å; D477-K480 PolarHBondContact OD1-N 3.47Å; D477-M481 WeakPolarHBondContact O-CB 3.33Å; D477-M481 PolarHBondContact O-N 3.36Å
478	V	72.1	Confident	71.3	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.097	34%	0.339	C	S	.	.	H	α-helix	trans	-54.3	-39.3	177.9	-179.3	0	0	0	0	111.1	M472 F476 A482 P489 L492 L493	M472-V478 HydrophobicContact CE-CG2 4.24Å; F476-V478 HydrophobicContact CD1-CG2 3.84Å; F476-V478 HydrophobicContact CE1-CB 4.36Å; F476-V478 HydrophobicContact CE1-CG2 3.96Å; F476-V478 PolarHBondContact O-N 3.25Å; V478-A482 WeakPolarHBondContact O-CB 3.44Å; V478-A482 PolarHBondContact O-N 3.26Å; V478-P489 HydrophobicContact CG1-CB 4.09Å; V478-L492 HydrophobicContact CG1-CD2 4.15Å; V478-L493 HydrophobicContact CG1-CD1 3.77Å; V478-L493 HydrophobicContact CG1-CG 3.72Å; V478-L493 HydrophobicContact CG2-CD1 4.49Å; V478-L493 HydrophobicContact CG2-CD2 4.28Å; V478-L493 HydrophobicContact CG2-CG 4.22Å
479	Q	72.8	Confident	71.7	Confident	137 Å²	137	64.7 Å²	64.7	64%	0.64	34%	0.342	S	S	*	.	H	α-helix	trans	-70.6	-46.3	-178.6	-67.7	-145.2	-9.9	0	0	111.4	D477 M481 A482 Q483 P489	D477-Q479 PolarHBondContact O-N 2.94Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.23Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.5Å; D477-Q479 PolarHBondContact OD1-N 3.26Å; Q479-M481 VanDerWaalsContact C-N 3.32Å; Q479-M481 PolarHBondContact O-N 3.04Å; Q479-A482 PolarHBondContact O-N 2.98Å; Q479-Q483 VanDerWaalsContact O-CB 3.31Å; Q479-Q483 WeakPolarHBondContact O-CB 3.39Å; Q479-Q483 PolarHBondContact O-N 3.49Å; Q479-P489 HydrophobicContact CG-CG 4.39Å
480	K	73.4	Confident	71.9	Confident	101 Å²	101	63.9 Å²	63.9	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-42.1	177.8	-166.7	178.7	-179.2	-178	0	111.4	E363 D477 Q483 Q484	E363-K480 IonicContact OE1-NZ 3.85Å; D477-K480 HydrophobicContact CB-CB 3.79Å; D477-K480 PolarHBondContact O-N 3.42Å; D477-K480 PolarHBondContact OD1-N 3.47Å; K480-Q483 PolarHBondContact O-N 2.95Å; K480-Q484 WeakPolarHBondContact O-CG 3.39Å; K480-Q484 PolarHBondContact O-N 3.03Å
481	M	68.5	Low	71.9	Confident	37 Å²	37	69.9 Å²	69.9	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-71.4	-40.7	178.5	-82.1	-75.4	174.2	0	0	113	F476 D477 Q479 Q483 Q484 Q485 L492	F476-M481 HydrophobicContact CD2-CG 4.07Å; F476-M481 HydrophobicContact CE1-CB 4.13Å; F476-M481 HydrophobicContact CE1-CG 4.37Å; F476-M481 HydrophobicContact CE2-CB 3.99Å; F476-M481 HydrophobicContact CE2-CG 3.5Å; F476-M481 HydrophobicContact CE2-SD 4.17Å; F476-M481 HydrophobicContact CZ-CB 3.6Å; F476-M481 HydrophobicContact CZ-CG 3.68Å; D477-M481 WeakPolarHBondContact O-CB 3.33Å; D477-M481 PolarHBondContact O-N 3.36Å; Q479-M481 VanDerWaalsContact C-N 3.32Å; Q479-M481 PolarHBondContact O-N 3.04Å; M481-Q483 VanDerWaalsContact C-N 3.29Å; M481-Q483 PolarHBondContact O-N 3.36Å; M481-Q484 PolarHBondContact O-N 3.3Å; M481-Q485 WeakPolarHBondContact O-CB 3.34Å; M481-Q485 WeakPolarHBondContact O-CG 3.35Å; M481-Q485 PolarHBondContact O-N 3.44Å; M481-L492 HydrophobicContact CB-CD2 3.88Å
482	A	73.8	Confident	71.9	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-41.9	174	0	0	0	0	0	110.9	V478 Q479 Q485 G486 M487 P489 L492	V478-A482 WeakPolarHBondContact O-CB 3.44Å; V478-A482 PolarHBondContact O-N 3.26Å; Q479-A482 PolarHBondContact O-N 2.98Å; A482-Q485 CarbonylContact O-C 3.57Å; A482-Q485 PolarHBondContact O-N 3.42Å; A482-G486 PolarHBondContact O-N 3.45Å; A482-M487 CarbonylContact C-O 3.52Å; A482-M487 WeakPolarHBondContact CB-O 3.48Å; A482-M487 PolarHBondContact O-N 3.42Å; A482-M487 VanDerWaalsContact O-O 3.13Å; A482-P489 HydrophobicContact CB-CB 4.07Å; A482-P489 HydrophobicContact CB-CG 3.8Å; A482-L492 HydrophobicContact CB-CB 4.39Å; A482-L492 HydrophobicContact CB-CD2 3.86Å
483	Q	75.1	Confident	71.8	Confident	163 Å²	163	68.6 Å²	68.6	76%	0.762	37%	0.368	S	S	*	.	H	α-helix	trans	-65.7	-40.7	176.3	-163.1	174.6	17.2	0	0	112.6	Q479 K480 M481 Q485 G486	Q479-Q483 VanDerWaalsContact O-CB 3.31Å; Q479-Q483 WeakPolarHBondContact O-CB 3.39Å; Q479-Q483 PolarHBondContact O-N 3.49Å; K480-Q483 PolarHBondContact O-N 2.95Å; M481-Q483 VanDerWaalsContact C-N 3.29Å; M481-Q483 PolarHBondContact O-N 3.36Å; Q483-Q485 VanDerWaalsContact C-N 3.34Å; Q483-G486 PolarHBondContact O-N 2.99Å
484	Q	71.1	Confident	71.6	Confident	130 Å²	130	67 Å²	67	61%	0.607	37%	0.37	S	S	*	.	H	α-helix	trans	-65.8	-34.4	175	-76.9	178.8	-8.3	0	0	113.2	K480 M481 G486	K480-Q484 WeakPolarHBondContact O-CG 3.39Å; K480-Q484 PolarHBondContact O-N 3.03Å; M481-Q484 PolarHBondContact O-N 3.3Å; Q484-G486 VanDerWaalsContact C-N 3.34Å
485	Q	66.2	Low	71.6	Confident	115 Å²	115	70.2 Å²	70.2	54%	0.537	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.4	178.6	-67.3	-75	-15.5	0	0	112.9	M481 A482 Q483 M487	M481-Q485 WeakPolarHBondContact O-CB 3.34Å; M481-Q485 WeakPolarHBondContact O-CG 3.35Å; M481-Q485 PolarHBondContact O-N 3.44Å; A482-Q485 CarbonylContact O-C 3.57Å; A482-Q485 PolarHBondContact O-N 3.42Å; Q483-Q485 VanDerWaalsContact C-N 3.34Å; Q485-M487 HydrophobicContact CB-CE 4.41Å; Q485-M487 HydrophobicContact CB-CG 4.05Å; Q485-M487 WeakPolarHBondContact O-CG 3.39Å; Q485-M487 PolarHBondContact O-N 3.44Å
486	G	74.8	Confident	71.6	Confident	72 Å²	72	69.9 Å²	69.9	74%	0.742	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	30.1	-175.1	0	0	0	0	0	113.5	A482 Q483 Q484	A482-G486 PolarHBondContact O-N 3.45Å; Q483-G486 PolarHBondContact O-N 2.99Å; Q484-G486 VanDerWaalsContact C-N 3.34Å
487	M	75.4	Confident	71.1	Confident	56 Å²	56	73.4 Å²	73.4	28%	0.276	40%	0.4	S	S	.	.			trans	-113.6	159.5	-177.6	-61.8	-157.5	-47	0	0	111.9	A482 Q485 L492 M495	A482-M487 CarbonylContact C-O 3.52Å; A482-M487 WeakPolarHBondContact CB-O 3.48Å; A482-M487 PolarHBondContact O-N 3.42Å; A482-M487 VanDerWaalsContact O-O 3.13Å; Q485-M487 HydrophobicContact CB-CE 4.41Å; Q485-M487 HydrophobicContact CB-CG 4.05Å; Q485-M487 WeakPolarHBondContact O-CG 3.39Å; Q485-M487 PolarHBondContact O-N 3.44Å; M487-L492 HydrophobicContact CE-CB 4Å; M487-L492 HydrophobicContact CE-CD1 3.59Å; M487-L492 HydrophobicContact CE-CG 4.34Å; M487-M495 HydrophobicContact CE-SD 3.96Å; M487-M495 HydrophobicContact SD-SD 4.18Å
488	D	81	Confident	70.2	Confident	85 Å²	85	73 Å²	73	46%	0.455	40%	0.404	S	S	.	.			trans	-71.3	134.5	170	-179.4	-94.6	0	0	0	110.7	S490 K491 L492	D488-S490 VanDerWaalsContact C-N 3.26Å; D488-S490 PolarHBondContact O-N 2.95Å; D488-S490 WeakPolarHBondContact OD1-CA 3.45Å; D488-S490 WeakPolarHBondContact OD1-CB 3.44Å; D488-S490 PolarHBondContact OD1-N 2.91Å; D488-S490 PolarHBondContact OD1-OG 3.42Å; D488-K491 HydrophobicContact CB-CB 4.01Å; D488-K491 WeakPolarHBondContact O-CB 3.41Å; D488-K491 PolarHBondContact O-N 3.32Å; D488-K491 PolarHBondContact OD1-N 2.86Å; D488-L492 PolarHBondContact O-N 3.02Å
489	P	76.9	Confident	69	Low	36 Å²	36	74 Å²	74	23%	0.234	42%	0.417	C	S	.	.	H	α-helix	trans	-56.5	-36.5	179.7	-25.8	33.3	0	0	0	114.1	V478 Q479 A482 L492 L493	V478-P489 HydrophobicContact CG1-CB 4.09Å; Q479-P489 HydrophobicContact CG-CG 4.39Å; A482-P489 HydrophobicContact CB-CB 4.07Å; A482-P489 HydrophobicContact CB-CG 3.8Å; P489-L492 PolarHBondContact O-N 2.88Å; P489-L493 WeakPolarHBondContact O-CB 3.07Å; P489-L493 PolarHBondContact O-N 3.4Å
490	S	74.1	Confident	67.3	Low	83 Å²	83	73.5 Å²	73.5	58%	0.58	43%	0.429	S	S	*	.	H	α-helix	trans	-69.8	-36.2	178.2	-15.7	0	0	0	0	111	D488 G494	D488-S490 VanDerWaalsContact C-N 3.26Å; D488-S490 PolarHBondContact O-N 2.95Å; D488-S490 WeakPolarHBondContact OD1-CA 3.45Å; D488-S490 WeakPolarHBondContact OD1-CB 3.44Å; D488-S490 PolarHBondContact OD1-N 2.91Å; D488-S490 PolarHBondContact OD1-OG 3.42Å; S490-G494 PolarHBondContact O-N 2.67Å
491	K	74.6	Confident	67	Low	134 Å²	134	72.2 Å²	72.2	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-67.1	-42.5	173.1	-169.5	178.6	-179.3	-176.8	0	111.6	D488 G494 M495	D488-K491 HydrophobicContact CB-CB 4.01Å; D488-K491 WeakPolarHBondContact O-CB 3.41Å; D488-K491 PolarHBondContact O-N 3.32Å; D488-K491 PolarHBondContact OD1-N 2.86Å; K491-G494 PolarHBondContact O-N 3.24Å; K491-M495 WeakPolarHBondContact O-CG 3.31Å; K491-M495 PolarHBondContact O-N 2.92Å
492	L	69.9	Low	66.9	Low	17 Å²	17	74 Å²	74	9%	0.089	44%	0.442	C	S	.	.	H	α-helix	trans	-61.5	-45.4	174.1	-180	62.5	0	0	0	111.2	F476 V478 M481 A482 M487 D488 P489 G494 M495 L496	F476-L492 HydrophobicContact CE1-CD2 4.07Å; F476-L492 HydrophobicContact CZ-CD2 4Å; V478-L492 HydrophobicContact CG1-CD2 4.15Å; M481-L492 HydrophobicContact CB-CD2 3.88Å; A482-L492 HydrophobicContact CB-CB 4.39Å; A482-L492 HydrophobicContact CB-CD2 3.86Å; M487-L492 HydrophobicContact CE-CB 4Å; M487-L492 HydrophobicContact CE-CD1 3.59Å; M487-L492 HydrophobicContact CE-CG 4.34Å; D488-L492 PolarHBondContact O-N 3.02Å; P489-L492 PolarHBondContact O-N 2.88Å; L492-G494 VanDerWaalsContact C-N 3.31Å; L492-G494 PolarHBondContact O-N 3.14Å; L492-M495 PolarHBondContact O-N 2.91Å; L492-L496 HydrophobicContact CD1-CD1 4.34Å; L492-L496 HydrophobicContact CD1-CG 4.38Å; L492-L496 HydrophobicContact CG-CD1 4.1Å; L492-L496 WeakPolarHBondContact O-CB 3.38Å; L492-L496 VanDerWaalsContact O-CG 3.23Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.99Å
493	L	68.3	Low	66.5	Low	54 Å²	54	78.1 Å²	78.1	28%	0.283	47%	0.466	S	S	.	.	H	α-helix	trans	-60.2	-38.3	173.4	-89.3	155.7	0	0	0	112.9	V468 M472 V478 P489 L496 S497	V468-L493 HydrophobicContact CG1-CD2 3.63Å; V468-L493 HydrophobicContact CG2-CD2 4.42Å; M472-L493 HydrophobicContact CE-CD2 4.08Å; V478-L493 HydrophobicContact CG1-CD1 3.77Å; V478-L493 HydrophobicContact CG1-CG 3.72Å; V478-L493 HydrophobicContact CG2-CD1 4.49Å; V478-L493 HydrophobicContact CG2-CD2 4.28Å; V478-L493 HydrophobicContact CG2-CG 4.22Å; P489-L493 WeakPolarHBondContact O-CB 3.07Å; P489-L493 PolarHBondContact O-N 3.4Å; L493-L496 PolarHBondContact O-N 3.32Å; L493-S497 WeakPolarHBondContact O-CB 3.44Å; L493-S497 PolarHBondContact O-N 3.38Å; L493-S497 PolarHBondContact O-OG 3.24Å
494	G	65.3	Low	66	Low	31 Å²	31	73.1 Å²	73.1	32%	0.32	45%	0.449	S	S	.	.	H	α-helix	trans	-63.9	-42	174.8	0	0	0	0	0	112.5	S490 K491 L492 S497 S498	S490-G494 PolarHBondContact O-N 2.67Å; K491-G494 PolarHBondContact O-N 3.24Å; L492-G494 VanDerWaalsContact C-N 3.31Å; L492-G494 PolarHBondContact O-N 3.14Å; G494-S497 WeakPolarHBondContact CA-OG 3.35Å; G494-S497 PolarHBondContact O-N 3.26Å; G494-S497 PolarHBondContact O-OG 2.94Å; G494-S498 WeakPolarHBondContact O-CB 3.04Å; G494-S498 PolarHBondContact O-N 2.97Å; G494-S498 PolarHBondContact O-OG 2.64Å
495	M	66.4	Low	65.7	Low	70 Å²	70	69.5 Å²	69.5	35%	0.345	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-44.4	175.3	-70.6	177.1	70.3	0	0	111.7	M487 K491 L492 S497 S498 G499 S500	M487-M495 HydrophobicContact CE-SD 3.96Å; M487-M495 HydrophobicContact SD-SD 4.18Å; K491-M495 WeakPolarHBondContact O-CG 3.31Å; K491-M495 PolarHBondContact O-N 2.92Å; L492-M495 PolarHBondContact O-N 2.91Å; M495-S497 VanDerWaalsContact C-N 3.29Å; M495-S497 PolarHBondContact O-N 3.06Å; M495-S498 PolarHBondContact O-N 3.32Å; M495-G499 PolarHBondContact O-N 3.22Å; M495-S500 WeakPolarHBondContact CB-O 3.33Å; M495-S500 WeakPolarHBondContact CE-O 3.35Å; M495-S500 PolarHBondContact O-N 2.83Å
496	L	64.4	Low	65.7	Low	31 Å²	31	66.5 Å²	66.5	16%	0.162	43%	0.432	C	S	.	.	H	α-helix	trans	-66.6	-28.1	178.5	-67.2	173.9	0	0	0	113.6	V468 L471 F476 L492 L493	V468-L496 HydrophobicContact CG2-CB 4.19Å; L471-L496 HydrophobicContact CD1-CB 4.48Å; L471-L496 HydrophobicContact CD1-CD1 3.88Å; L471-L496 HydrophobicContact CD1-CD2 3.57Å; L471-L496 HydrophobicContact CD1-CG 4.16Å; F476-L496 HydrophobicContact CD1-CD1 4.37Å; F476-L496 HydrophobicContact CE1-CD1 3.61Å; F476-L496 HydrophobicContact CZ-CD1 3.97Å; L492-L496 HydrophobicContact CD1-CD1 4.34Å; L492-L496 HydrophobicContact CD1-CG 4.38Å; L492-L496 HydrophobicContact CG-CD1 4.1Å; L492-L496 WeakPolarHBondContact O-CB 3.38Å; L492-L496 VanDerWaalsContact O-CG 3.23Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.99Å; L493-L496 PolarHBondContact O-N 3.32Å
497	S	58	Low	65	Low	88 Å²	88	66.1 Å²	66.1	62%	0.615	41%	0.41	S	S	*	.	H	α-helix	trans	-89.7	-20.4	178.3	51.4	0	0	0	0	113.9	L493 G494 M495	L493-S497 WeakPolarHBondContact O-CB 3.44Å; L493-S497 PolarHBondContact O-N 3.38Å; L493-S497 PolarHBondContact O-OG 3.24Å; G494-S497 WeakPolarHBondContact CA-OG 3.35Å; G494-S497 PolarHBondContact O-N 3.26Å; G494-S497 PolarHBondContact O-OG 2.94Å; M495-S497 VanDerWaalsContact C-N 3.29Å; M495-S497 PolarHBondContact O-N 3.06Å
498	S	52.8	Low	64.2	Low	76 Å²	76	66.8 Å²	66.8	53%	0.531	42%	0.42	S	S	.	.	H	α-helix	trans	-102.6	-6.3	179.5	58.9	0	0	0	0	114.6	G494 M495 S500	G494-S498 WeakPolarHBondContact O-CB 3.04Å; G494-S498 PolarHBondContact O-N 2.97Å; G494-S498 PolarHBondContact O-OG 2.64Å; M495-S498 PolarHBondContact O-N 3.32Å; S498-S500 VanDerWaalsContact C-N 3.28Å; S498-S500 PolarHBondContact O-N 2.63Å; S498-S500 PolarHBondContact O-OG 2.87Å
499	G	46.9	Very low	62.8	Low	36 Å²	36	65.3 Å²	65.3	37%	0.371	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	32.6	-178	0	0	0	0	0	113.1	P451 M495	P451-G499 VanDerWaalsContact CB-C 3.5Å; P451-G499 WeakPolarHBondContact CB-O 2.94Å; P451-G499 WeakPolarHBondContact CG-O 3.02Å; M495-G499 PolarHBondContact O-N 3.22Å
500	S	36.1	Very low	61.5	Low	128 Å²	128	68 Å²	68	90%	0.895	43%	0.434	S	S	*	.			trans	-120.4	0	-176.6	-60	0	0	0	0	112.7	M495 S498	M495-S500 WeakPolarHBondContact CB-O 3.33Å; M495-S500 WeakPolarHBondContact CE-O 3.35Å; M495-S500 PolarHBondContact O-N 2.83Å; S498-S500 VanDerWaalsContact C-N 3.28Å; S498-S500 PolarHBondContact O-N 2.63Å; S498-S500 PolarHBondContact O-OG 2.87Å

Retrieved 500 of 500 residues in 670.7 ms (Link to these results)

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