A0A096MP59_PAPAN Loading...

Amino acid transporter heavy chain SLC3A1

AlphaFold DB , UniProt , Accession A0A096MP59, Species PAPAN (Papio anubis, Olive baboon), Gene SLC3A1, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	26.7	Very low	242 Å²	242	162.4 Å²	162.4	100%	1.192	83%	0.832	S	S	*	*				0	119.6	0	-81.8	171.5	77.4	0	0	107.5
2	A	27.3	Very low	26.6	Very low	91 Å²	91	154.8 Å²	154.8	75%	0.752	83%	0.825	S	S	*	*			trans	49.9	105.4	159.2	0	0	0	0	0	118.8
3	E	27.6	Very low	26.9	Very low	186 Å²	186	155.5 Å²	155.5	87%	0.869	82%	0.823	S	S	*	*				92.3	107.5	89.2	-87	-177.9	175	0	0	111.1
4	D	27	Very low	26.8	Very low	139 Å²	139	154.9 Å²	154.9	74%	0.743	82%	0.821	S	S	*	*				92.6	117.2	73.1	-169.1	28.4	0	0	0	112.8
5	K	27.4	Very low	27	Very low	192 Å²	192	154.7 Å²	154.7	84%	0.835	82%	0.816	S	S	*	*				179.2	120.9	127.4	-98.1	169.6	-175.8	176	0	115.7
6	S	26.1	Very low	27.1	Very low	103 Å²	103	157.1 Å²	157.1	72%	0.72	82%	0.817	S	S	*	*			trans	64	94.9	145.4	84.4	0	0	0	0	121.2
7	K	26	Very low	27.1	Very low	184 Å²	184	151.6 Å²	151.6	80%	0.8	81%	0.808	S	S	*	*			trans	-70.8	131.6	136.2	-74.4	179.4	173.3	-176.2	0	109.3
8	R	25.6	Very low	27.3	Very low	246 Å²	246	150.6 Å²	150.6	93%	0.928	81%	0.813	S	S	*	*			trans	-114.8	97.9	154.9	-98.1	-175.2	179.1	174.3	-0	106.3	S10	R8-S10 PolarHBondContact O-N 3.47Å
9	D	26.1	Very low	27.4	Very low	133 Å²	133	152.7 Å²	152.7	71%	0.711	82%	0.817	S	S	*	*			trans	-70.4	122.9	171.4	-69.1	-39.4	0	0	0	108.7	I11	D9-I11 PolarHBondContact O-N 3.15Å
10	S	25.4	Very low	27.6	Very low	118 Å²	118	151.1 Å²	151.1	83%	0.825	81%	0.813	S	S	*	*			trans	-72.8	109.6	171.3	54.4	0	0	0	0	109	R8 G12	R8-S10 PolarHBondContact O-N 3.47Å; S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact O-N 2.85Å
11	I	25.4	Very low	27.6	Very low	152 Å²	152	151.4 Å²	151.4	78%	0.779	82%	0.815	S	S	*	*			trans	-75.7	88.3	171	-59	173.5	0	0	0	107.4	D9 M13	D9-I11 PolarHBondContact O-N 3.15Å; I11-M13 HydrophobicContact CG2-CG 4.01Å
12	G	26.1	Very low	27.5	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	79%	0.794	S	S	*	*			trans	-83.4	115.8	158.7	0	0	0	0	0	108	S10	S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact O-N 2.85Å
13	M	30	Very low	27.6	Very low	163 Å²	163	145.4 Å²	145.4	80%	0.803	79%	0.791	S	S	*	*			trans	-102.1	117.3	171.4	-85.2	-173.3	77.1	0	0	110.7	I11	I11-M13 HydrophobicContact CG2-CG 4.01Å
14	N	25.2	Very low	27.6	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	79%	0.794	S	S	*	*			trans	-58.3	136.7	166.9	-153.3	-2.5	0	0	0	109.6	K16	N14-K16 PolarHBondContact O-N 3.01Å
15	M	30	Very low	27.7	Very low	152 Å²	152	146 Å²	146	75%	0.749	80%	0.795	S	S	*	*			trans	-61.7	98.9	173.6	-75.6	-157.2	-72	0	0	109	G17	M15-G17 PolarHBondContact O-N 3.11Å
16	K	28.4	Very low	27.6	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	79%	0.789	S	S	*	*			trans	-75	117.9	163.7	-81.8	-173.5	173.9	-176.4	0	107.2	N14	N14-K16 PolarHBondContact O-N 3.01Å
17	G	27.8	Very low	27.7	Very low	64 Å²	64	146.8 Å²	146.8	66%	0.66	79%	0.794	S	S	*	*			trans	-49.7	148.9	174.6	0	0	0	0	0	112.1	M15 Q19	M15-G17 PolarHBondContact O-N 3.11Å; G17-Q19 PolarHBondContact O-N 3.34Å
18	C	30.2	Very low	27.9	Very low	133 Å²	133	145.4 Å²	145.4	90%	0.899	79%	0.791	S	S	*	*			trans	-48.1	109.5	174.9	-68.4	0	0	0	0	109.8	T20	C18-T20 PolarHBondContact O-N 3.32Å
19	Q	29	Very low	28	Very low	192 Å²	192	141 Å²	141	90%	0.897	79%	0.786	S	S	*	*			trans	-68	116.8	168.6	-79.7	-173.2	-36.3	0	0	108.1	G17 N21	G17-Q19 PolarHBondContact O-N 3.34Å; Q19-N21 PolarHBondContact O-N 3.37Å
20	T	32.5	Very low	28	Very low	120 Å²	120	143.1 Å²	143.1	74%	0.736	80%	0.795	S	S	*	*			trans	-54.7	122.3	167	45.1	0	0	0	0	109.5	C18 N22	C18-T20 PolarHBondContact O-N 3.32Å; T20-N22 PolarHBondContact O-N 3.34Å
21	N	26.5	Very low	28.2	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	80%	0.798	S	S	*	*			trans	-72	111.5	174.1	-166.7	10.4	0	0	0	108.4	Q19 G23	Q19-N21 PolarHBondContact O-N 3.37Å; N21-G23 PolarHBondContact O-N 2.93Å
22	N	28.9	Very low	28.3	Very low	139 Å²	139	146.9 Å²	146.9	74%	0.743	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.2	120.3	173.6	-75	-17	0	0	0	108.8	T20	T20-N22 PolarHBondContact O-N 3.34Å
23	G	28.5	Very low	28.3	Very low	67 Å²	67	153 Å²	153	69%	0.691	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-51.6	140.5	-173.9	0	0	0	0	0	114	N21 V25	N21-G23 PolarHBondContact O-N 2.93Å; G23-V25 PolarHBondContact O-N 3.13Å
24	F	26.6	Very low	28.2	Very low	213 Å²	213	151.6 Å²	151.6	93%	0.934	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62	126.4	168.7	-115.4	-100.9	0	0	0	109.8
25	V	29.3	Very low	28.7	Very low	126 Å²	126	150.5 Å²	150.5	76%	0.764	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.3	126.2	173.5	176.3	0	0	0	0	109.1	G23	G23-V25 PolarHBondContact O-N 3.13Å
26	H	27.1	Very low	28.6	Very low	156 Å²	156	151 Å²	151	72%	0.722	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.5	121.1	176.9	-140.6	3.8	0	0	0	109
27	N	27	Very low	28.6	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	82%	0.818	S	S	*	*			trans	-120	105.9	159.4	-90.7	-5.7	0	0	0	107.1
28	E	29.9	Very low	28.6	Very low	154 Å²	154	149.2 Å²	149.2	72%	0.72	83%	0.827	S	S	*	*			trans	-86.4	136.7	159.8	-74.9	-174.5	148.5	0	0	109
29	D	28.2	Very low	28.5	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	82%	0.824	S	S	*	*			trans	161.4	97.9	133.6	-88.9	-17.8	0	0	0	109
30	I	27.1	Very low	28.5	Very low	176 Å²	176	145.3 Å²	145.3	90%	0.903	82%	0.822	S	S	*	*			trans	-152.2	124.1	138.1	-59.9	-166.6	0	0	0	108.9
31	L	28	Very low	28.4	Very low	170 Å²	170	148.1 Å²	148.1	89%	0.89	83%	0.827	S	S	*	*			trans	-65.7	144.6	-178.9	-78.9	135.9	0	0	0	115.2
32	E	27.8	Very low	28.4	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	82%	0.822	S	S	*	*			trans	-70.6	144.6	166.6	-67.5	179.9	139.7	0	0	113
33	Q	26	Very low	28.4	Very low	201 Å²	201	146.8 Å²	146.8	94%	0.939	82%	0.82	S	S	*	*			trans	-144.6	124.2	144.3	-88.8	-173.4	-1.2	0	0	110.5
34	T	28.8	Very low	28.4	Very low	133 Å²	133	151.9 Å²	151.9	82%	0.816	83%	0.83	S	S	*	*			trans	-92.6	162.9	170.9	33.8	0	0	0	0	111.5
35	P	34.9	Very low	28.5	Very low	124 Å²	124	149.5 Å²	149.5	81%	0.805	82%	0.822	S	S	*	*			trans	-97.3	153.9	-159.4	36.8	-31.9	0	0	0	114
36	D	27.3	Very low	28.6	Very low	162 Å²	162	152 Å²	152	87%	0.866	83%	0.825	S	S	*	*			trans	-104.2	147	173.5	-119	-19	0	0	0	112.7
37	T	30.2	Very low	28.5	Very low	137 Å²	137	149.5 Å²	149.5	84%	0.84	83%	0.825	S	S	*	*			trans	-71.8	151.9	-176.9	42.5	0	0	0	0	114.9
38	G	27.4	Very low	28.8	Very low	83 Å²	83	148 Å²	148	86%	0.856	82%	0.822	S	S	*	*			trans	-166.3	92.1	166.5	0	0	0	0	0	113.1
39	S	28.2	Very low	28.6	Very low	120 Å²	120	147.7 Å²	147.7	84%	0.839	83%	0.831	S	S	*	*			trans	-91	137.8	167.5	52.3	0	0	0	0	110.9
40	S	29.1	Very low	28.9	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	83%	0.825	S	S	*	*			trans	-156.9	131.7	150.6	53.8	0	0	0	0	111.2
41	E	29.2	Very low	29.2	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	82%	0.823	S	S	*	*			trans	-62.6	153.8	-177.7	-59.1	162.2	137.2	0	0	112.8
42	D	27.6	Very low	29.4	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	82%	0.821	S	S	*	*				-175.4	139.5	97.1	-122.6	-25	0	0	0	115.5
43	N	27.8	Very low	30	Very low	131 Å²	131	139.6 Å²	139.6	70%	0.701	82%	0.82	S	S	*	*			trans	-3.8	138.7	159.4	-73.8	-57.9	0	0	0	122.4
44	L	28.7	Very low	30.3	Very low	173 Å²	173	135.5 Å²	135.5	91%	0.906	81%	0.814	S	S	*	*				-171.4	147.6	111.7	-102.3	147	0	0	0	114.1
45	Q	29.7	Very low	30.8	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	82%	0.817	S	S	*	*			trans	-85.6	158	-158.7	-68.8	170.8	-42.6	0	0	116.7
46	H	29.8	Very low	30.9	Very low	179 Å²	179	140.9 Å²	140.9	83%	0.829	82%	0.819	S	S	*	*			trans	22.7	121.2	142.6	-76.8	-66.1	0	0	0	119.9
47	S	26.3	Very low	31.7	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	80%	0.804	S	S	*	*				164	136.6	76.9	57.6	0	0	0	0	112
48	T	32.2	Very low	32.5	Very low	124 Å²	124	136.9 Å²	136.9	76%	0.761	80%	0.797	S	S	*	*			trans	-0.1	124.6	157.4	45.6	0	0	0	0	120.7
49	T	26	Very low	33.6	Very low	147 Å²	147	136.5 Å²	136.5	90%	0.902	77%	0.772	S	S	*	*				-166.3	153	111.6	5.5	0	0	0	0	112.7
50	S	35.8	Very low	34.7	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	77%	0.771	S	S	*	*			trans	-68.8	146.9	-159.8	56.6	0	0	0	0	117.9
51	I	32.2	Very low	36	Very low	168 Å²	168	137.2 Å²	137.2	86%	0.862	76%	0.764	S	S	*	*			trans	-131.7	134.4	145.5	-62.4	-177.8	0	0	0	109.7
52	L	33.1	Very low	37.8	Very low	161 Å²	161	130.9 Å²	130.9	84%	0.843	74%	0.737	S	S	*	*			trans	-38.9	130.3	-177.9	-86.8	65.1	0	0	0	116.5
53	G	39.1	Very low	40.1	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	74%	0.735	S	S	*	*				47.6	89.4	115.9	0	0	0	0	0	118.8
54	S	33.9	Very low	42.8	Very low	116 Å²	116	128.6 Å²	128.6	81%	0.811	72%	0.724	S	S	*	*			trans	-97.3	114.7	136.7	55.9	0	0	0	0	107.4	E56	S54-E56 PolarHBondContact O-N 3.2Å; S54-E56 VanDerWaalsContact O-N 3.15Å
55	Q	37.4	Very low	45.7	Very low	189 Å²	189	126 Å²	126	88%	0.883	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-48.1	117.8	173.6	-73.8	171.4	-38.1	0	0	110.1
56	E	37	Very low	48.5	Very low	180 Å²	180	123.1 Å²	123.1	84%	0.841	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.5	150.3	-80.9	-176.4	153.5	0	0	106.2	S54 D58	S54-E56 PolarHBondContact O-N 3.2Å; S54-E56 VanDerWaalsContact O-N 3.15Å; E56-D58 PolarHBondContact O-N 3Å
57	P	45.2	Very low	51.4	Low	87 Å²	87	118.2 Å²	118.2	57%	0.565	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-60.6	117.5	173.1	-10.8	22.9	0	0	0	107.5	F59	P57-F59 VanDerWaalsContact C-N 3.26Å; P57-F59 HydrophobicContact CB-CD2 3.92Å; P57-F59 HydrophobicContact CB-CE1 4.37Å; P57-F59 HydrophobicContact CB-CE2 3.58Å; P57-F59 HydrophobicContact CB-CG 4.45Å; P57-F59 HydrophobicContact CB-CZ 3.84Å; P57-F59 HydrophobicContact CG-CD2 4.42Å; P57-F59 HydrophobicContact CG-CE2 3.7Å; P57-F59 HydrophobicContact CG-CZ 4.02Å; P57-F59 WeakPolarHBondContact O-CD2 3.36Å; P57-F59 PolarHBondContact O-N 3.09Å
58	D	47.2	Very low	54.6	Low	128 Å²	128	115.8 Å²	115.8	68%	0.684	68%	0.683	S	S	*	*			trans	-66.7	90.5	169.8	-171.7	7.8	0	0	0	107.7	E56 K60	E56-D58 PolarHBondContact O-N 3Å; D58-K60 PolarHBondContact O-N 3.46Å; D58-K60 VanDerWaalsContact O-N 3.11Å; D58-K60 WeakPolarHBondContact OD1-CB 3.46Å; D58-K60 WeakPolarHBondContact OD1-CG 3.2Å; D58-K60 PolarHBondContact OD1-N 3.32Å
59	F	50.2	Low	57.2	Low	75 Å²	75	112.6 Å²	112.6	33%	0.329	66%	0.664	S	S	.	*			trans	-78	24.7	179.1	-76.2	-69.1	0	0	0	112.6	P57 G61 V62 V72 Q75	P57-F59 VanDerWaalsContact C-N 3.26Å; P57-F59 HydrophobicContact CB-CD2 3.92Å; P57-F59 HydrophobicContact CB-CE1 4.37Å; P57-F59 HydrophobicContact CB-CE2 3.58Å; P57-F59 HydrophobicContact CB-CG 4.45Å; P57-F59 HydrophobicContact CB-CZ 3.84Å; P57-F59 HydrophobicContact CG-CD2 4.42Å; P57-F59 HydrophobicContact CG-CE2 3.7Å; P57-F59 HydrophobicContact CG-CZ 4.02Å; P57-F59 WeakPolarHBondContact O-CD2 3.36Å; P57-F59 PolarHBondContact O-N 3.09Å; F59-G61 PolarHBondContact O-N 2.92Å; F59-V62 HydrophobicContact CB-CG2 4.42Å; F59-V62 HydrophobicContact CD1-CG2 3.6Å; F59-V62 HydrophobicContact CE1-CG2 4.38Å; F59-V62 HydrophobicContact CG-CG2 4.5Å; F59-V72 HydrophobicContact CE1-CG2 4.44Å; F59-Q75 VanDerWaalsContact CB-NE2 3.3Å
60	K	50.5	Low	60.3	Low	189 Å²	189	112.1 Å²	112.1	82%	0.822	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	94.5	171.1	-82	179.6	179.1	172.4	0	110.4	D58	D58-K60 PolarHBondContact O-N 3.46Å; D58-K60 VanDerWaalsContact O-N 3.11Å; D58-K60 WeakPolarHBondContact OD1-CB 3.46Å; D58-K60 WeakPolarHBondContact OD1-CG 3.2Å; D58-K60 PolarHBondContact OD1-N 3.32Å
61	G	57.6	Low	62.8	Low	69 Å²	69	112.7 Å²	112.7	71%	0.711	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.4	-0.4	172.6	0	0	0	0	0	115.4	F59 Q63	F59-G61 PolarHBondContact O-N 2.92Å; G61-Q63 PolarHBondContact O-N 3.22Å
62	V	66.1	Low	65.4	Low	45 Å²	45	104.8 Å²	104.8	27%	0.273	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-73.9	119.7	179	177.2	0	0	0	0	110.3	F59 Y65 V72 F76	F59-V62 HydrophobicContact CB-CG2 4.42Å; F59-V62 HydrophobicContact CD1-CG2 3.6Å; F59-V62 HydrophobicContact CE1-CG2 4.38Å; F59-V62 HydrophobicContact CG-CG2 4.5Å; V62-Y65 HydrophobicContact CG1-CD1 4.44Å; V62-Y65 HydrophobicContact CG1-CE1 4.04Å; V62-V72 HydrophobicContact CG1-CG1 3.89Å; V62-V72 HydrophobicContact CG1-CG2 4.48Å; V62-F76 WeakPolarHBondContact O-CZ 3.19Å
63	Q	77.4	Confident	68.1	Low	147 Å²	147	100.9 Å²	100.9	69%	0.687	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-78.3	151	175	-68.1	-66.3	-24.6	0	0	110.6	G61 Y65	G61-Q63 PolarHBondContact O-N 3.22Å; Q63-Y65 WeakPolarHBondContact O-CD1 3.26Å; Q63-Y65 PolarHBondContact O-N 2.91Å
64	P	84.4	Confident	70.7	Confident	75 Å²	75	103.5 Å²	103.5	49%	0.487	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-63.2	131	175	25.9	-32.6	0	0	0	111	M68	P64-M68 HydrophobicContact CB-CE 4.17Å; P64-M68 HydrophobicContact CB-SD 3.88Å
65	Y	88	Confident	73.2	Confident	120 Å²	120	102.1 Å²	102.1	47%	0.471	55%	0.55	S	S	.	*			trans	-128.2	169.5	175.5	59	-89.3	0	0	0	110.8	V62 Q63 M68 P69 V72	V62-Y65 HydrophobicContact CG1-CD1 4.44Å; V62-Y65 HydrophobicContact CG1-CE1 4.04Å; Q63-Y65 WeakPolarHBondContact O-CD1 3.26Å; Q63-Y65 PolarHBondContact O-N 2.91Å; Y65-M68 HydrophobicContact CD1-CG 4.3Å; Y65-M68 HydrophobicContact CE1-CG 4.31Å; Y65-M68 HydrophobicContact CG-CG 4.4Å; Y65-M68 VanDerWaalsContact O-CG 3.28Å; Y65-M68 WeakPolarHBondContact O-CG 3.37Å; Y65-P69 WeakPolarHBondContact OH-CD 3.4Å; Y65-V72 HydrophobicContact CE1-CG1 4.36Å
66	A	89.8	Confident	75.7	Confident	102 Å²	102	94.9 Å²	94.9	84%	0.843	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	132.1	178.7	0	0	0	0	0	111.1
67	G	91	Very high	78.3	Confident	76 Å²	76	87.3 Å²	87.3	78%	0.784	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	36.7	178.9	0	0	0	0	0	114.7
68	M	91.6	Very high	80.5	Confident	53 Å²	53	85.5 Å²	85.5	26%	0.261	48%	0.48	S	S	.	.			trans	-54.8	135.9	177.6	-71.6	177.2	-72.9	0	0	112.3	P64 Y65 V72 L73 F76	P64-M68 HydrophobicContact CB-CE 4.17Å; P64-M68 HydrophobicContact CB-SD 3.88Å; Y65-M68 HydrophobicContact CD1-CG 4.3Å; Y65-M68 HydrophobicContact CE1-CG 4.31Å; Y65-M68 HydrophobicContact CG-CG 4.4Å; Y65-M68 VanDerWaalsContact O-CG 3.28Å; Y65-M68 WeakPolarHBondContact O-CG 3.37Å; M68-V72 HydrophobicContact CB-CB 4.32Å; M68-V72 HydrophobicContact CB-CG1 4.3Å; M68-V72 HydrophobicContact CG-CB 4.49Å; M68-V72 HydrophobicContact CG-CG1 3.95Å; M68-V72 HydrophobicContact SD-CG1 3.83Å; M68-L73 HydrophobicContact CE-CD1 4.12Å; M68-F76 HydrophobicContact SD-CD2 4.33Å
69	P	87.8	Confident	82.5	Confident	56 Å²	56	82.5 Å²	82.5	36%	0.364	46%	0.462	S	S	.	.			trans	-69.9	163.9	168.7	30.7	-33.5	0	0	0	110.7	Y65 E71 V72 L73	Y65-P69 WeakPolarHBondContact OH-CD 3.4Å; P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 PolarHBondContact O-N 3.1Å; P69-V72 HydrophobicContact CG-CB 4.27Å; P69-V72 HydrophobicContact CG-CG2 3.85Å; P69-V72 PolarHBondContact O-N 2.94Å; P69-V72 VanDerWaalsContact O-N 3.13Å; P69-L73 PolarHBondContact O-N 3.19Å
70	K	91.8	Very high	84.5	Confident	137 Å²	137	82.1 Å²	82.1	60%	0.596	47%	0.473	S	S	*	.	H	α-helix	trans	-52.1	-43.1	-173	177.8	179.4	173.1	-178.1	0	112.9	V72 L73 F74	K70-V72 PolarHBondContact O-N 3.38Å; K70-L73 PolarHBondContact O-N 2.92Å; K70-F74 HydrophobicContact CD-CE2 4.04Å; K70-F74 HydrophobicContact CD-CZ 4.49Å; K70-F74 HydrophobicContact CG-CD2 4.01Å; K70-F74 HydrophobicContact CG-CE2 3.45Å; K70-F74 VanDerWaalsContact CG-CE2 3.45Å; K70-F74 HydrophobicContact CG-CZ 3.97Å; K70-F74 WeakPolarHBondContact O-CD2 3.43Å; K70-F74 PolarHBondContact O-N 3.02Å
71	E	88.3	Confident	86.6	Confident	114 Å²	114	80.5 Å²	80.5	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-37.2	-175.8	-60.4	68.6	-145.9	0	0	111.8	P69	P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 PolarHBondContact O-N 3.1Å
72	V	85.8	Confident	88.2	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.012	45%	0.45	C	S	.	.	H	α-helix	trans	-77.2	-38.8	177	-179.5	0	0	0	0	110.5	F59 V62 Y65 M68 P69 K70 F74 Q75 F76	F59-V72 HydrophobicContact CE1-CG2 4.44Å; V62-V72 HydrophobicContact CG1-CG1 3.89Å; V62-V72 HydrophobicContact CG1-CG2 4.48Å; Y65-V72 HydrophobicContact CE1-CG1 4.36Å; M68-V72 HydrophobicContact CB-CB 4.32Å; M68-V72 HydrophobicContact CB-CG1 4.3Å; M68-V72 HydrophobicContact CG-CB 4.49Å; M68-V72 HydrophobicContact CG-CG1 3.95Å; M68-V72 HydrophobicContact SD-CG1 3.83Å; P69-V72 HydrophobicContact CG-CB 4.27Å; P69-V72 HydrophobicContact CG-CG2 3.85Å; P69-V72 PolarHBondContact O-N 2.94Å; P69-V72 VanDerWaalsContact O-N 3.13Å; K70-V72 PolarHBondContact O-N 3.38Å; V72-F74 VanDerWaalsContact C-N 3.35Å; V72-F74 PolarHBondContact O-N 3.47Å; V72-Q75 PolarHBondContact O-N 3.39Å; V72-F76 HydrophobicContact CG1-CE2 4.23Å; V72-F76 WeakPolarHBondContact O-CD2 3.36Å
73	L	90.6	Very high	89.5	Confident	80 Å²	80	87.5 Å²	87.5	42%	0.419	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-36.4	-180	-179.4	63.3	0	0	0	113.3	M68 P69 K70 Q75 F76 S77	M68-L73 HydrophobicContact CE-CD1 4.12Å; P69-L73 PolarHBondContact O-N 3.19Å; K70-L73 PolarHBondContact O-N 2.92Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.38Å; L73-F76 PolarHBondContact O-N 3.25Å; L73-S77 WeakPolarHBondContact O-CB 3.29Å; L73-S77 PolarHBondContact O-N 2.94Å; L73-S77 PolarHBondContact O-OG 3.35Å
74	F	92.3	Very high	90.4	Very high	134 Å²	134	85.3 Å²	85.3	59%	0.588	45%	0.454	S	S	*	.	H	α-helix	trans	-65.8	-26.9	-179.3	-75.4	-41.6	0	0	0	114	K70 V72 F76	K70-F74 HydrophobicContact CD-CE2 4.04Å; K70-F74 HydrophobicContact CD-CZ 4.49Å; K70-F74 HydrophobicContact CG-CD2 4.01Å; K70-F74 HydrophobicContact CG-CE2 3.45Å; K70-F74 VanDerWaalsContact CG-CE2 3.45Å; K70-F74 HydrophobicContact CG-CZ 3.97Å; K70-F74 WeakPolarHBondContact O-CD2 3.43Å; K70-F74 PolarHBondContact O-N 3.02Å; V72-F74 VanDerWaalsContact C-N 3.35Å; V72-F74 PolarHBondContact O-N 3.47Å; F74-F76 VanDerWaalsContact C-N 3.26Å; F74-F76 PolarHBondContact O-N 3.13Å
75	Q	88.2	Confident	90.9	Very high	86 Å²	86	84.7 Å²	84.7	40%	0.402	45%	0.45	S	S	.	.	H	α-helix	trans	-68.7	-26	178	-59.2	178.8	13.7	0	0	112.6	F59 V72 L73	F59-Q75 VanDerWaalsContact CB-NE2 3.3Å; V72-Q75 PolarHBondContact O-N 3.39Å; L73-Q75 VanDerWaalsContact C-N 3.26Å; L73-Q75 PolarHBondContact O-N 3.38Å
76	F	88.9	Confident	91.3	Very high	37 Å²	37	85.3 Å²	85.3	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-106	-39.3	-177.5	-61.8	-76.5	0	0	0	113.4	V62 M68 V72 L73 F74 G78 Q79 Y82	V62-F76 WeakPolarHBondContact O-CZ 3.19Å; M68-F76 HydrophobicContact SD-CD2 4.33Å; V72-F76 HydrophobicContact CG1-CE2 4.23Å; V72-F76 WeakPolarHBondContact O-CD2 3.36Å; L73-F76 PolarHBondContact O-N 3.25Å; F74-F76 VanDerWaalsContact C-N 3.26Å; F74-F76 PolarHBondContact O-N 3.13Å; F76-G78 PolarHBondContact O-N 2.95Å; F76-Q79 WeakPolarHBondContact O-CB 3.34Å; F76-Q79 VanDerWaalsContact O-CG 3.26Å; F76-Q79 WeakPolarHBondContact O-CG 3.34Å; F76-Q79 PolarHBondContact O-N 3.29Å; F76-Q79 VanDerWaalsContact O-N 3.13Å; F76-Y82 WeakPolarHBondContact O-CD2 3.42Å
77	S	91.4	Very high	91.6	Very high	22 Å²	22	84.2 Å²	84.2	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-20.8	-173.2	60.8	0	0	0	0	114.6	L73 Q79	L73-S77 WeakPolarHBondContact O-CB 3.29Å; L73-S77 PolarHBondContact O-N 2.94Å; L73-S77 PolarHBondContact O-OG 3.35Å; S77-Q79 VanDerWaalsContact C-N 3.33Å
78	G	91	Very high	91.9	Very high	49 Å²	49	85 Å²	85	51%	0.505	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.7	175.5	0	0	0	0	0	114.9	F76	F76-G78 PolarHBondContact O-N 2.95Å
79	Q	90.7	Very high	92.2	Very high	64 Å²	64	88 Å²	88	30%	0.299	43%	0.431	S	S	.	.	S	Bend	trans	-64.5	144.4	-179	-63.8	174.4	7.9	0	0	111.3	F76 S77 R81 Y82 R83	F76-Q79 WeakPolarHBondContact O-CB 3.34Å; F76-Q79 VanDerWaalsContact O-CG 3.26Å; F76-Q79 WeakPolarHBondContact O-CG 3.34Å; F76-Q79 PolarHBondContact O-N 3.29Å; F76-Q79 VanDerWaalsContact O-N 3.13Å; S77-Q79 VanDerWaalsContact C-N 3.33Å; Q79-R81 HydrophobicContact CB-CG 4.19Å; Q79-R81 PolarHBondContact O-N 3.04Å; Q79-R81 VanDerWaalsContact O-N 3.1Å; Q79-Y82 HydrophobicContact CB-CD2 4.24Å; Q79-Y82 PolarHBondContact O-N 3.41Å; Q79-R83 PolarHBondContact O-N 3.49Å
80	A	91.9	Very high	92.6	Very high	67 Å²	67	90.9 Å²	90.9	55%	0.554	44%	0.438	S	S	*	.	H	α-helix	trans	-52.5	-38.8	-175.7	0	0	0	0	0	113.4	Y82 R83 I84	A80-Y82 PolarHBondContact O-N 3.49Å; A80-R83 PolarHBondContact O-N 3.37Å; A80-I84 HydrophobicContact CB-CD1 4.28Å; A80-I84 PolarHBondContact O-N 2.8Å; A80-I84 VanDerWaalsContact O-N 3.09Å
81	R	93.1	Very high	92.9	Very high	156 Å²	156	92 Å²	92	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-61.9	-21.3	177.6	64.3	175.6	167.7	169.3	-0.9	115.1	Q79 P85	Q79-R81 HydrophobicContact CB-CG 4.19Å; Q79-R81 PolarHBondContact O-N 3.04Å; Q79-R81 VanDerWaalsContact O-N 3.1Å; R81-P85 WeakPolarHBondContact O-CD 3.33Å; R81-P85 WeakPolarHBondContact O-CG 3.34Å
82	Y	93.1	Very high	93.4	Very high	119 Å²	119	91.1 Å²	91.1	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-108.5	-33.2	177	-61.2	-62.1	0	0	0	112.2	F76 Q79 A80 R86	F76-Y82 WeakPolarHBondContact O-CD2 3.42Å; Q79-Y82 HydrophobicContact CB-CD2 4.24Å; Q79-Y82 PolarHBondContact O-N 3.41Å; A80-Y82 PolarHBondContact O-N 3.49Å; Y82-R86 VanDerWaalsContact O-CB 3.25Å; Y82-R86 WeakPolarHBondContact O-CB 3.42Å; Y82-R86 PolarHBondContact O-N 2.85Å
83	R	93.2	Very high	93.9	Very high	142 Å²	142	93.7 Å²	93.7	54%	0.536	46%	0.458	S	S	.	.	H	α-helix	trans	-69.7	-49.5	-179.7	-171	177.1	-179.9	-179	-0.6	112.4	Q79 A80 R86 E87	Q79-R83 PolarHBondContact O-N 3.49Å; A80-R83 PolarHBondContact O-N 3.37Å; R83-R86 PolarHBondContact O-N 3.37Å; R83-E87 HydrophobicContact CG-CG 4.4Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.31Å
84	I	94.5	Very high	94.3	Very high	101 Å²	101	92.6 Å²	92.6	52%	0.518	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-49.5	-176.4	-62.3	170	0	0	0	111.3	A80 R86 E87 I88	A80-I84 HydrophobicContact CB-CD1 4.28Å; A80-I84 PolarHBondContact O-N 2.8Å; A80-I84 VanDerWaalsContact O-N 3.09Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.9Å; I84-E87 PolarHBondContact O-N 3.15Å; I84-I88 HydrophobicContact CG2-CD1 3.58Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CB 3.25Å; I84-I88 VanDerWaalsContact O-CG1 3.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 3.42Å
85	P	96.5	Very high	94.5	Very high	61 Å²	61	88.4 Å²	88.4	40%	0.396	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-36.9	177.6	-24.5	36.8	0	0	0	113	R81 I88 L89	R81-P85 WeakPolarHBondContact O-CD 3.33Å; R81-P85 WeakPolarHBondContact O-CG 3.34Å; P85-I88 PolarHBondContact O-N 3.19Å; P85-L89 WeakPolarHBondContact O-CB 3.21Å; P85-L89 WeakPolarHBondContact O-CG 3.21Å; P85-L89 PolarHBondContact O-N 3.03Å
86	R	96.1	Very high	95	Very high	134 Å²	134	87.4 Å²	87.4	51%	0.506	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-46.1	177.8	-174.2	-179.1	65.6	-166.7	-1.8	112.2	Y82 R83 I84 L89 F90	Y82-R86 VanDerWaalsContact O-CB 3.25Å; Y82-R86 WeakPolarHBondContact O-CB 3.42Å; Y82-R86 PolarHBondContact O-N 2.85Å; R83-R86 PolarHBondContact O-N 3.37Å; I84-R86 VanDerWaalsContact C-N 3.32Å; I84-R86 PolarHBondContact O-N 2.9Å; R86-L89 PolarHBondContact O-N 3.49Å; R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 3.19Å
87	E	96.5	Very high	95.4	Very high	78 Å²	78	89.6 Å²	89.6	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-43.2	176.5	-67	-66	161.3	0	0	111.5	R83 I84 L89 F90 W91	R83-E87 HydrophobicContact CG-CG 4.4Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.31Å; I84-E87 PolarHBondContact O-N 3.15Å; E87-L89 PolarHBondContact O-N 3.27Å; E87-F90 PolarHBondContact O-N 3.49Å; E87-W91 PolarHBondContact O-N 3.46Å
88	I	97.3	Very high	95.7	Very high	92 Å²	92	93.8 Å²	93.8	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-48	176.4	-72.3	173.6	0	0	0	110.5	I84 P85 F90 W91 L92	I84-I88 HydrophobicContact CG2-CD1 3.58Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CB 3.25Å; I84-I88 VanDerWaalsContact O-CG1 3.29Å; I84-I88 WeakPolarHBondContact O-CG1 3.27Å; I84-I88 PolarHBondContact O-N 3.42Å; P85-I88 PolarHBondContact O-N 3.19Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.42Å; I88-W91 PolarHBondContact O-N 3.3Å; I88-L92 HydrophobicContact CG2-CD1 3.49Å; I88-L92 VanDerWaalsContact CG2-CD1 3.49Å; I88-L92 HydrophobicContact CG2-CG 4.03Å; I88-L92 WeakPolarHBondContact O-CB 3.06Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.36Å
89	L	97.2	Very high	96.1	Very high	117 Å²	117	96.2 Å²	96.2	61%	0.613	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-39.4	178.9	-73.8	171.1	0	0	0	112	P85 R86 E87 A93	P85-L89 WeakPolarHBondContact O-CB 3.21Å; P85-L89 WeakPolarHBondContact O-CG 3.21Å; P85-L89 PolarHBondContact O-N 3.03Å; R86-L89 PolarHBondContact O-N 3.49Å; E87-L89 PolarHBondContact O-N 3.27Å; L89-A93 WeakPolarHBondContact O-CB 3.45Å; L89-A93 PolarHBondContact O-N 2.88Å
90	F	97.3	Very high	96.4	Very high	116 Å²	116	98.7 Å²	98.7	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-52.2	175.8	176.3	-98.6	0	0	0	111.8	R86 E87 I88 L92 A93 V94	R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 3.19Å; E87-F90 PolarHBondContact O-N 3.49Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 3.42Å; F90-L92 PolarHBondContact O-N 2.9Å; F90-A93 WeakPolarHBondContact O-CB 3.2Å; F90-A93 PolarHBondContact O-N 3.23Å; F90-V94 HydrophobicContact CE1-CG2 4.15Å; F90-V94 HydrophobicContact CE2-CG2 4.46Å; F90-V94 HydrophobicContact CZ-CG2 4.09Å; F90-V94 WeakPolarHBondContact O-CG2 3.3Å; F90-V94 PolarHBondContact O-N 3.18Å
91	W	97.6	Very high	96.7	Very high	160 Å²	160	100.1 Å²	100.1	61%	0.606	50%	0.501	S	S	*	.	H	α-helix	trans	-69.4	-33.4	-179.3	-73.3	111.7	0	0	0	113.1	E87 I88 A93 V94 A95	E87-W91 PolarHBondContact O-N 3.46Å; I88-W91 PolarHBondContact O-N 3.3Å; W91-A93 VanDerWaalsContact C-N 3.35Å; W91-V94 HydrophobicContact CE3-CB 4.41Å; W91-V94 PolarHBondContact O-N 3.06Å; W91-A95 VanDerWaalsContact O-CB 3.27Å; W91-A95 WeakPolarHBondContact O-CB 3.42Å; W91-A95 PolarHBondContact O-N 3.47Å
92	L	97.9	Very high	97	Very high	96 Å²	96	95.6 Å²	95.6	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-62.1	-43.2	170.3	-77.4	173.8	0	0	0	110.9	I88 F90 V94 A95 S96	I88-L92 HydrophobicContact CG2-CD1 3.49Å; I88-L92 VanDerWaalsContact CG2-CD1 3.49Å; I88-L92 HydrophobicContact CG2-CG 4.03Å; I88-L92 WeakPolarHBondContact O-CB 3.06Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.36Å; F90-L92 PolarHBondContact O-N 2.9Å; L92-V94 PolarHBondContact O-N 3.35Å; L92-A95 PolarHBondContact O-N 3.5Å; L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.28Å; L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 2.79Å
93	A	97.4	Very high	97.1	Very high	56 Å²	56	92.1 Å²	92.1	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.6	0	0	0	0	0	111.7	L89 F90 W91 S96 V97	L89-A93 WeakPolarHBondContact O-CB 3.45Å; L89-A93 PolarHBondContact O-N 2.88Å; F90-A93 WeakPolarHBondContact O-CB 3.2Å; F90-A93 PolarHBondContact O-N 3.23Å; W91-A93 VanDerWaalsContact C-N 3.35Å; A93-S96 PolarHBondContact O-N 2.89Å; A93-V97 WeakPolarHBondContact O-CG2 3.32Å; A93-V97 PolarHBondContact O-N 3.41Å
94	V	97.5	Very high	97.4	Very high	57 Å²	57	89.1 Å²	89.1	35%	0.345	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-47.2	175.9	175.1	0	0	0	0	111.2	F90 W91 L92 S96 V97 L98	F90-V94 HydrophobicContact CE1-CG2 4.15Å; F90-V94 HydrophobicContact CE2-CG2 4.46Å; F90-V94 HydrophobicContact CZ-CG2 4.09Å; F90-V94 WeakPolarHBondContact O-CG2 3.3Å; F90-V94 PolarHBondContact O-N 3.18Å; W91-V94 HydrophobicContact CE3-CB 4.41Å; W91-V94 PolarHBondContact O-N 3.06Å; L92-V94 PolarHBondContact O-N 3.35Å; V94-S96 PolarHBondContact O-N 3.47Å; V94-V97 PolarHBondContact O-N 2.86Å; V94-L98 PolarHBondContact O-N 2.77Å
95	A	97.8	Very high	97.5	Very high	47 Å²	47	88.1 Å²	88.1	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178.1	0	0	0	0	0	112	W91 L92 V97 L98 V99	W91-A95 VanDerWaalsContact O-CB 3.27Å; W91-A95 WeakPolarHBondContact O-CB 3.42Å; W91-A95 PolarHBondContact O-N 3.47Å; L92-A95 PolarHBondContact O-N 3.5Å; A95-V97 VanDerWaalsContact C-N 3.34Å; A95-V97 PolarHBondContact O-N 2.89Å; A95-L98 PolarHBondContact O-N 2.83Å; A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.37Å; A95-V99 PolarHBondContact O-N 2.96Å
96	S	98	Very high	97.5	Very high	65 Å²	65	87.3 Å²	87.3	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-40.7	176.2	-68	0	0	0	0	112.1	L92 A93 V94 V99 L100	L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.28Å; L92-S96 PolarHBondContact O-N 2.97Å; L92-S96 PolarHBondContact O-OG 2.79Å; A93-S96 PolarHBondContact O-N 2.89Å; V94-S96 PolarHBondContact O-N 3.47Å; S96-V99 PolarHBondContact O-N 3.16Å; S96-L100 WeakPolarHBondContact O-CB 3.31Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.3Å; S96-L100 PolarHBondContact O-N 2.99Å
97	V	98.3	Very high	97.6	Very high	82 Å²	82	84.2 Å²	84.2	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-60.6	-46.5	174.7	171.3	0	0	0	0	110.7	A93 V94 A95 V99 L100 I101	A93-V97 WeakPolarHBondContact O-CG2 3.32Å; A93-V97 PolarHBondContact O-N 3.41Å; V94-V97 PolarHBondContact O-N 2.86Å; A95-V97 VanDerWaalsContact C-N 3.34Å; A95-V97 PolarHBondContact O-N 2.89Å; V97-V99 PolarHBondContact O-N 3.36Å; V97-L100 PolarHBondContact O-N 2.81Å; V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 3.39Å
98	L	97.9	Very high	97.5	Very high	111 Å²	111	86.2 Å²	86.2	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-40.7	178.3	-66.2	177.7	0	0	0	112.4	V94 A95 I101 A102	V94-L98 PolarHBondContact O-N 2.77Å; A95-L98 PolarHBondContact O-N 2.83Å; L98-I101 PolarHBondContact O-N 3.33Å; L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.28Å; L98-A102 PolarHBondContact O-N 2.82Å
99	V	98.3	Very high	97.5	Very high	99 Å²	99	87 Å²	87	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-63.4	-42.6	175.8	169.6	0	0	0	0	111.1	A95 S96 V97 A102 A103	A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.37Å; A95-V99 PolarHBondContact O-N 2.96Å; S96-V99 PolarHBondContact O-N 3.16Å; V97-V99 PolarHBondContact O-N 3.36Å; V99-A102 PolarHBondContact O-N 3.1Å; V99-A103 VanDerWaalsContact O-CB 3.28Å; V99-A103 WeakPolarHBondContact O-CB 3.26Å; V99-A103 PolarHBondContact O-N 3.13Å
100	L	98.1	Very high	97.4	Very high	117 Å²	117	84.7 Å²	84.7	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-63.4	-45.3	177	-73.1	172.3	0	0	0	111.4	S96 V97 A103 T104	S96-L100 WeakPolarHBondContact O-CB 3.31Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.3Å; S96-L100 PolarHBondContact O-N 2.99Å; V97-L100 PolarHBondContact O-N 2.81Å; L100-A103 PolarHBondContact O-N 3.2Å; L100-T104 PolarHBondContact O-N 2.84Å; L100-T104 PolarHBondContact O-OG1 2.92Å; L100-T104 VanDerWaalsContact O-OG1 3.05Å
101	I	97.9	Very high	97.4	Very high	97 Å²	97	81.5 Å²	81.5	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-48.1	176.2	-67.4	167	0	0	0	110.4	V97 L98 A103 T104 V105	V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.43Å; V97-I101 PolarHBondContact O-N 3.39Å; L98-I101 PolarHBondContact O-N 3.33Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.11Å; I101-T104 PolarHBondContact O-N 3.26Å; I101-V105 HydrophobicContact CG2-CG2 4.49Å; I101-V105 WeakPolarHBondContact O-CG2 3.29Å; I101-V105 PolarHBondContact O-N 3.48Å
102	A	98	Very high	97.3	Very high	61 Å²	61	75.2 Å²	75.2	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-41.3	179	0	0	0	0	0	112	L98 V99 V105 A106	L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.28Å; L98-A102 PolarHBondContact O-N 2.82Å; V99-A102 PolarHBondContact O-N 3.1Å; A102-V105 PolarHBondContact O-N 3.32Å; A102-A106 VanDerWaalsContact O-CB 3.3Å; A102-A106 WeakPolarHBondContact O-CB 2.91Å; A102-A106 PolarHBondContact O-N 3.46Å
103	A	96.8	Very high	97.1	Very high	45 Å²	45	77.2 Å²	77.2	37%	0.372	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-42.8	175.9	0	0	0	0	0	112	V99 L100 I101 A106 I107	V99-A103 VanDerWaalsContact O-CB 3.28Å; V99-A103 WeakPolarHBondContact O-CB 3.26Å; V99-A103 PolarHBondContact O-N 3.13Å; L100-A103 PolarHBondContact O-N 3.2Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.11Å; A103-A106 PolarHBondContact O-N 3.3Å; A103-I107 VanDerWaalsContact O-CG1 3.31Å; A103-I107 WeakPolarHBondContact O-CG1 3.29Å; A103-I107 PolarHBondContact O-N 2.94Å
104	T	97.8	Very high	96.9	Very high	79 Å²	79	79 Å²	79	49%	0.485	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-47.9	175.3	-62.3	0	0	0	0	111.4	L100 I101 A106 I107 I108	L100-T104 PolarHBondContact O-N 2.84Å; L100-T104 PolarHBondContact O-OG1 2.92Å; L100-T104 VanDerWaalsContact O-OG1 3.05Å; I101-T104 PolarHBondContact O-N 3.26Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.45Å; T104-I107 PolarHBondContact O-N 3.46Å; T104-I108 HydrophobicContact CG2-CD1 3.88Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.31Å
105	V	97.7	Very high	96.9	Very high	81 Å²	81	77.2 Å²	77.2	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-60.7	-44.3	176.8	173.1	0	0	0	0	110.7	I101 A102 I107 I108 V109	I101-V105 HydrophobicContact CG2-CG2 4.49Å; I101-V105 WeakPolarHBondContact O-CG2 3.29Å; I101-V105 PolarHBondContact O-N 3.48Å; A102-V105 PolarHBondContact O-N 3.32Å; V105-I107 PolarHBondContact O-N 2.96Å; V105-I108 PolarHBondContact O-N 3.45Å; V105-V109 HydrophobicContact CG1-CG2 4.17Å; V105-V109 WeakPolarHBondContact O-CB 3.28Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.37Å; V105-V109 PolarHBondContact O-N 3.33Å
106	A	96.8	Very high	96.9	Very high	44 Å²	44	76.7 Å²	76.7	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-60.3	-44.3	177.9	0	0	0	0	0	112.3	A102 A103 T104 V109 L110	A102-A106 VanDerWaalsContact O-CB 3.3Å; A102-A106 WeakPolarHBondContact O-CB 2.91Å; A102-A106 PolarHBondContact O-N 3.46Å; A103-A106 PolarHBondContact O-N 3.3Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.45Å; A106-V109 PolarHBondContact O-N 3.31Å; A106-L110 VanDerWaalsContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.45Å; A106-L110 PolarHBondContact O-N 3.26Å
107	I	96.6	Very high	96.9	Very high	69 Å²	69	74.3 Å²	74.3	35%	0.354	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-45.5	177.5	-69.7	166.9	0	0	0	110.7	A103 T104 V105 L110 S111 I680	A103-I107 VanDerWaalsContact O-CG1 3.31Å; A103-I107 WeakPolarHBondContact O-CG1 3.29Å; A103-I107 PolarHBondContact O-N 2.94Å; T104-I107 PolarHBondContact O-N 3.46Å; V105-I107 PolarHBondContact O-N 2.96Å; I107-L110 PolarHBondContact O-N 2.9Å; I107-S111 WeakPolarHBondContact O-CB 3.31Å; I107-S111 PolarHBondContact O-N 2.94Å; I107-S111 PolarHBondContact O-OG 3.03Å; I107-I680 HydrophobicContact CG1-CD1 4.18Å; I107-I680 HydrophobicContact CG2-CD1 4.04Å
108	I	95.9	Very high	96.9	Very high	119 Å²	119	71.1 Å²	71.1	61%	0.61	41%	0.412	S	S	*	.	H	α-helix	trans	-62.9	-46.8	-179.7	-68.2	168.7	0	0	0	110.9	T104 V105	T104-I108 HydrophobicContact CG2-CD1 3.88Å; T104-I108 WeakPolarHBondContact O-CG1 3.48Å; T104-I108 PolarHBondContact O-N 3.31Å; V105-I108 PolarHBondContact O-N 3.45Å
109	V	95.9	Very high	96.9	Very high	108 Å²	108	66.3 Å²	66.3	66%	0.655	39%	0.387	S	S	*	.	H	α-helix	trans	-68.8	-35.3	-177.5	171.8	0	0	0	0	112.1	V105 A106	V105-V109 HydrophobicContact CG1-CG2 4.17Å; V105-V109 WeakPolarHBondContact O-CB 3.28Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.37Å; V105-V109 PolarHBondContact O-N 3.33Å; A106-V109 PolarHBondContact O-N 3.31Å
110	L	96.1	Very high	96.8	Very high	70 Å²	70	65.7 Å²	65.7	37%	0.366	38%	0.377	S	S	.	.	H	α-helix	trans	-86.9	-14.9	-178.3	-64.9	176.3	0	0	0	113.4	A106 I107 Y682 T683	A106-L110 VanDerWaalsContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CB 3.4Å; A106-L110 WeakPolarHBondContact O-CG 3.45Å; A106-L110 PolarHBondContact O-N 3.26Å; I107-L110 PolarHBondContact O-N 2.9Å; L110-Y682 CarbonylContact O-C 3.51Å; L110-Y682 VanDerWaalsContact O-CA 3.29Å; L110-Y682 WeakPolarHBondContact O-CA 3.45Å; L110-T683 PolarHBondContact O-N 2.97Å; L110-T683 PolarHBondContact O-OG1 3.01Å
111	S	96.4	Very high	96.7	Very high	49 Å²	49	60.5 Å²	60.5	34%	0.343	35%	0.352	S	S	.	.	S	Bend	trans	-65.8	132.5	177.8	-68.4	0	0	0	0	110.5	I107	I107-S111 WeakPolarHBondContact O-CB 3.31Å; I107-S111 PolarHBondContact O-N 2.94Å; I107-S111 PolarHBondContact O-OG 3.03Å
112	P	96.1	Very high	96.7	Very high	28 Å²	28	56.1 Å²	56.1	18%	0.182	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.4	156.6	175.1	31	-35.7	0	0	0	110.4	C114 A672 L681 T683	P112-C114 PolarHBondContact O-N 3.42Å; P112-A672 HydrophobicContact CB-CB 4.02Å; P112-A672 HydrophobicContact CG-CB 3.76Å; P112-L681 VanDerWaalsContact CD-O 3.23Å; P112-L681 WeakPolarHBondContact CD-O 3.24Å; P112-L681 HydrophobicContact CG-CB 3.73Å; P112-T683 HydrophobicContact CB-CG2 3.73Å
113	K	94.6	Very high	96.8	Very high	138 Å²	138	53.2 Å²	53.2	60%	0.6	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-56.1	130.3	160.8	-165.6	-166.6	175	-158.3	0	107.9	D116	K113-D116 IonicContact NZ-OD1 3.65Å; K113-D116 PolarHBondContact NZ-OD1 2.97Å; K113-D116 IonicContact NZ-OD2 3.87Å; K113-D116 PolarHBondContact NZ-OD2 3.48Å
114	C	92.4	Very high	96.9	Very high	93 Å²	93	51 Å²	51	63%	0.628	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-64.9	164.1	172.3	63.2	0	0	0	0	110.4	P112	P112-C114 PolarHBondContact O-N 3.42Å
115	L	96.8	Very high	96.9	Very high	20 Å²	20	47.5 Å²	47.5	11%	0.105	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65	145.8	174.4	-65.9	176.3	0	0	0	109.7	Q119 E120 W440 N670	L115-Q119 HydrophobicContact CB-CB 4.09Å; L115-Q119 HydrophobicContact CD2-CB 4.1Å; L115-Q119 HydrophobicContact CG-CB 4.5Å; L115-E120 HydrophobicContact CB-CG 3.97Å; L115-W440 HydrophobicContact CD1-CH2 4.23Å; L115-W440 HydrophobicContact CD2-CH2 3.73Å; L115-W440 HydrophobicContact CD2-CZ3 3.65Å; L115-N670 HydrophobicContact CD2-CB 4.4Å
116	D	97.7	Very high	97	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-81.2	158	168.6	-69.9	-53	0	0	0	109.5	K113 W118 Q119 E120	K113-D116 IonicContact NZ-OD1 3.65Å; K113-D116 PolarHBondContact NZ-OD1 2.97Å; K113-D116 IonicContact NZ-OD2 3.87Å; K113-D116 PolarHBondContact NZ-OD2 3.48Å; D116-W118 PolarHBondContact O-N 3.33Å; D116-Q119 WeakPolarHBondContact O-CA 3.31Å; D116-Q119 WeakPolarHBondContact O-CB 3.22Å; D116-Q119 PolarHBondContact O-N 3.05Å; D116-E120 PolarHBondContact O-N 3.49Å
117	W	98.3	Very high	97	Very high	15 Å²	15	41.8 Å²	41.8	6%	0.057	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-28	-171.8	61.1	-97.9	0	0	0	114.6	Q119 K158 T159 K206 I208 D309 Y378 F380	W117-Q119 VanDerWaalsContact C-N 3.28Å; W117-K158 WeakPolarHBondContact O-CG 3.34Å; W117-T159 HydrophobicContact CZ3-CG2 3.84Å; W117-T159 WeakPolarHBondContact CZ3-OG1 3.22Å; W117-K206 HydrophobicContact CB-CG 4.47Å; W117-K206 HydrophobicContact CD2-CB 4.29Å; W117-K206 HydrophobicContact CD2-CD 4.09Å; W117-K206 HydrophobicContact CD2-CG 3.72Å; W117-K206 HydrophobicContact CE3-CB 3.68Å; W117-K206 HydrophobicContact CE3-CD 4.33Å; W117-K206 HydrophobicContact CE3-CG 3.53Å; W117-K206 HydrophobicContact CG-CD 4.37Å; W117-K206 HydrophobicContact CG-CG 4.13Å; W117-K206 HydrophobicContact CH2-CB 4.23Å; W117-K206 HydrophobicContact CZ3-CB 3.65Å; W117-K206 HydrophobicContact CZ3-CG 4.03Å; W117-I208 HydrophobicContact CH2-CG2 3.92Å; W117-I208 HydrophobicContact CZ3-CG2 4.48Å; W117-D309 HydrophobicContact CH2-CB 4.08Å; W117-D309 HydrophobicContact CZ2-CB 3.93Å; W117-D309 WeakPolarHBondContact CZ2-O 3.34Å; W117-Y378 PolarHBondContact NE1-O 3.29Å; W117-F380 HydrophobicContact CH2-CB 3.42Å; W117-F380 VanDerWaalsContact CH2-CB 3.42Å; W117-F380 HydrophobicContact CH2-CG 4.25Å; W117-F380 HydrophobicContact CZ2-CB 3.54Å; W117-F380 HydrophobicContact CZ3-CB 4.45Å
118	W	98.5	Very high	97.1	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-78.1	-13.3	178.6	60.4	-96.3	0	0	0	113.1	D116 M123 Y378 F380 D406 F407 W440 T475	D116-W118 PolarHBondContact O-N 3.33Å; W118-M123 HydrophobicContact CB-CE 4.15Å; W118-Y378 AromaticContact CD1-CD1 3.77Å; W118-Y378 AromaticContact CD1-CE1 3.92Å; W118-Y378 AromaticContact NE1-CD1 3.61Å; W118-Y378 AromaticContact NE1-CE1 3.46Å; W118-F380 HydrophobicContact CB-CD2 3.82Å; W118-F380 HydrophobicContact CB-CE2 4.49Å; W118-F380 HydrophobicContact CB-CG 4.44Å; W118-F380 HydrophobicContact CD2-CD2 4.1Å; W118-F380 HydrophobicContact CD2-CE2 4.49Å; W118-F380 HydrophobicContact CE3-CD2 4.46Å; W118-F380 HydrophobicContact CE3-CE2 4.4Å; W118-F380 AromaticContact CG-CD2 3.82Å; W118-F380 HydrophobicContact CG-CD2 3.82Å; W118-D406 HydrophobicContact CD2-CB 4.43Å; W118-D406 HydrophobicContact CE3-CB 4.45Å; W118-D406 HydrophobicContact CH2-CB 4.02Å; W118-D406 HydrophobicContact CZ2-CB 4Å; W118-D406 HydrophobicContact CZ3-CB 4.24Å; W118-F407 AromaticContact CE3-CD1 3.97Å; W118-F407 HydrophobicContact CE3-CD1 3.97Å; W118-F407 AromaticContact CE3-CE1 3.64Å; W118-F407 HydrophobicContact CE3-CE1 3.64Å; W118-F407 AromaticContact CZ3-CD1 3.66Å; W118-F407 HydrophobicContact CZ3-CD1 3.66Å; W118-F407 AromaticContact CZ3-CE1 3.82Å; W118-F407 HydrophobicContact CZ3-CE1 3.82Å; W118-W440 HydrophobicContact CH2-CB 3.78Å; W118-W440 HydrophobicContact CH2-CG 4.09Å; W118-W440 HydrophobicContact CZ3-CB 3.66Å; W118-W440 AromaticContact CZ3-CD1 3.46Å; W118-W440 VanDerWaalsContact CZ3-CD1 3.46Å; W118-W440 AromaticContact CZ3-CG 3.6Å; W118-W440 HydrophobicContact CZ3-CG 3.6Å; W118-T475 WeakPolarHBondContact O-CG2 3.31Å; W118-T475 PolarHBondContact O-OG1 3.09Å
119	Q	98.6	Very high	97.2	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.047	18%	0.182	C	C	.	.	H	α-helix	trans	-96.1	-21.2	174.7	-58	179.8	-53.7	0	0	112.3	L115 D116 W117 W440	L115-Q119 HydrophobicContact CB-CB 4.09Å; L115-Q119 HydrophobicContact CD2-CB 4.1Å; L115-Q119 HydrophobicContact CG-CB 4.5Å; D116-Q119 WeakPolarHBondContact O-CA 3.31Å; D116-Q119 WeakPolarHBondContact O-CB 3.22Å; D116-Q119 PolarHBondContact O-N 3.05Å; W117-Q119 VanDerWaalsContact C-N 3.28Å; Q119-W440 HydrophobicContact CB-CD2 4.08Å; Q119-W440 HydrophobicContact CB-CE3 4.46Å; Q119-W440 HydrophobicContact CB-CH2 4.06Å; Q119-W440 HydrophobicContact CB-CZ2 3.63Å; Q119-W440 HydrophobicContact CB-CZ3 4.45Å; Q119-W440 HydrophobicContact CG-CD2 3.8Å; Q119-W440 HydrophobicContact CG-CE3 4.24Å; Q119-W440 HydrophobicContact CG-CG 4.06Å; Q119-W440 HydrophobicContact CG-CZ2 4.29Å; Q119-W440 VanDerWaalsContact NE2-CE3 3.33Å; Q119-W440 VanDerWaalsContact O-CZ2 3.27Å; Q119-W440 WeakPolarHBondContact O-CZ2 3.1Å
120	E	95.8	Very high	97.3	Very high	87 Å²	87	28 Å²	28	41%	0.407	15%	0.15	S	C	.	.	H	α-helix	trans	-75.9	-34.9	-171	-72.4	177.6	163.4	0	0	114.2	L115 D116	L115-E120 HydrophobicContact CB-CG 3.97Å; D116-E120 PolarHBondContact O-N 3.49Å
121	G	95.9	Very high	97.4	Very high	8 Å²	8	24.7 Å²	24.7	8%	0.082	13%	0.133	C	C	.	.	S	Bend	trans	-154.5	173.1	-170.6	0	0	0	0	0	114.7
122	P	98.7	Very high	97.6	Very high	4 Å²	4	24 Å²	24	3%	0.026	12%	0.124	C	C	.	.			trans	-65.6	149.5	-173.3	16.6	-23.5	0	0	0	113.5	N156 K158 T159 F470 P476	P122-N156 WeakPolarHBondContact CG-O 3.26Å; P122-K158 PolarHBondContact O-N 3.08Å; P122-T159 PolarHBondContact O-N 3.37Å; P122-T159 VanDerWaalsContact O-N 3.16Å; P122-F470 HydrophobicContact CB-CE1 4.07Å; P122-F470 HydrophobicContact CB-CZ 4.34Å; P122-F470 HydrophobicContact CG-CE1 3.91Å; P122-F470 HydrophobicContact CG-CZ 4.35Å; P122-P476 CarbonylContact C-O 3.54Å; P122-P476 VanDerWaalsContact CA-O 3.26Å; P122-P476 WeakPolarHBondContact CA-O 3.15Å; P122-P476 HydrophobicContact CB-CG 3.93Å
123	M	98.9	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	143.4	163.9	-52.3	-171.7	167.2	0	0	110.5	W118 T159 I208 F380 F407 T475 P476 I477 T478	W118-M123 HydrophobicContact CB-CE 4.15Å; M123-T159 CarbonylContact C-O 3.18Å; M123-T159 VanDerWaalsContact CA-O 3.3Å; M123-T159 WeakPolarHBondContact CA-O 3.26Å; M123-T159 HydrophobicContact CG-CG2 4.25Å; M123-I208 HydrophobicContact SD-CD1 4.02Å; M123-F380 HydrophobicContact CE-CD2 4.3Å; M123-F380 HydrophobicContact CE-CE1 4.24Å; M123-F380 HydrophobicContact CE-CE2 3.98Å; M123-F380 HydrophobicContact CE-CZ 3.97Å; M123-F407 HydrophobicContact CE-CE1 4.38Å; M123-F407 HydrophobicContact CE-CE2 4.5Å; M123-F407 HydrophobicContact CE-CZ 3.63Å; M123-F407 HydrophobicContact SD-CZ 4.13Å; M123-T475 HydrophobicContact CE-CG2 4.25Å; M123-T475 HydrophobicContact CG-CG2 3.82Å; M123-T475 HydrophobicContact SD-CG2 4.39Å; M123-P476 PolarHBondContact N-O 2.93Å; M123-I477 HydrophobicContact CB-CB 4.45Å; M123-I477 HydrophobicContact CB-CG1 4.08Å; M123-I477 HydrophobicContact CB-CG2 4.27Å; M123-I477 HydrophobicContact CG-CG1 4.26Å; M123-I477 WeakPolarHBondContact O-CA 3.3Å; M123-I477 HydrophobicContact SD-CD1 4.36Å; M123-I477 HydrophobicContact SD-CG1 4.22Å; M123-T478 PolarHBondContact O-N 3.04Å
124	Y	98.9	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110	177.9	-165.4	-104.2	0	0	0	110.2	I126 F131 L155 V157 T159 W161 T478 Y480 E483	Y124-I126 HydrophobicContact CD1-CD1 4.04Å; Y124-I126 HydrophobicContact CD1-CG1 3.68Å; Y124-I126 HydrophobicContact CE1-CD1 4.34Å; Y124-I126 HydrophobicContact CE1-CG1 3.95Å; Y124-F131 AromaticContact CE1-CE2 3.96Å; Y124-F131 HydrophobicContact CE1-CE2 3.96Å; Y124-F131 HydrophobicContact CE1-CZ 4.35Å; Y124-L155 HydrophobicContact CE2-CD1 4.07Å; Y124-V157 HydrophobicContact CD2-CG2 4.28Å; Y124-V157 HydrophobicContact CG-CG2 4.24Å; Y124-T159 PolarHBondContact N-O 3.14Å; Y124-W161 PolarHBondContact O-N 2.89Å; Y124-T478 CarbonylContact C-O 3.55Å; Y124-T478 WeakPolarHBondContact CA-O 3.44Å; Y124-T478 HydrophobicContact CD2-CG2 4.06Å; Y124-T478 HydrophobicContact CE2-CG2 3.99Å; Y124-Y480 WeakPolarHBondContact OH-CA 3.04Å; Y124-E483 WeakPolarHBondContact CE2-OE2 3.29Å; Y124-E483 PolarHBondContact OH-OE2 3.37Å
125	Q	98.9	Very high	98.1	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.7	-176.6	-169	-174.2	38.5	0	0	110.8	W161 T163 P448 T478 Y479 Y480	Q125-W161 CarbonylContact C-O 3.49Å; Q125-W161 WeakPolarHBondContact CA-O 3.42Å; Q125-W161 HydrophobicContact CB-CB 4.43Å; Q125-W161 HydrophobicContact CB-CD2 4.27Å; Q125-W161 HydrophobicContact CB-CE3 4.02Å; Q125-W161 HydrophobicContact CB-CG 4.49Å; Q125-W161 HydrophobicContact CG-CD2 3.8Å; Q125-W161 HydrophobicContact CG-CE3 3.87Å; Q125-W161 HydrophobicContact CG-CG 4.12Å; Q125-W161 HydrophobicContact CG-CZ3 4.38Å; Q125-W161 VanDerWaalsContact NE2-CH2 3.3Å; Q125-W161 VanDerWaalsContact NE2-CZ2 3.28Å; Q125-T163 HydrophobicContact CG-CG2 4.13Å; Q125-P448 VanDerWaalsContact OE1-CD 3.31Å; Q125-T478 PolarHBondContact N-O 3.16Å; Q125-Y479 HydrophobicContact CB-CD2 4.28Å; Q125-Y479 HydrophobicContact CG-CD2 4.31Å; Q125-Y480 PolarHBondContact O-N 3Å
126	I	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.9	-177.4	-62.9	-177.9	0	0	0	109.3	Y124 P128 F131 I145 I152 V160 W161 T163	Y124-I126 HydrophobicContact CD1-CD1 4.04Å; Y124-I126 HydrophobicContact CD1-CG1 3.68Å; Y124-I126 HydrophobicContact CE1-CD1 4.34Å; Y124-I126 HydrophobicContact CE1-CG1 3.95Å; I126-P128 WeakPolarHBondContact O-CD 3.37Å; I126-F131 HydrophobicContact CD1-CD1 4.28Å; I126-F131 HydrophobicContact CD1-CD2 4.34Å; I126-F131 HydrophobicContact CD1-CE1 4Å; I126-F131 HydrophobicContact CD1-CE2 4.13Å; I126-F131 HydrophobicContact CD1-CG 4.41Å; I126-F131 HydrophobicContact CD1-CZ 3.93Å; I126-F131 HydrophobicContact CG1-CD2 4.31Å; I126-F131 HydrophobicContact CG1-CE2 4.28Å; I126-F131 HydrophobicContact CG2-CB 3.62Å; I126-F131 HydrophobicContact CG2-CD1 4.26Å; I126-F131 HydrophobicContact CG2-CD2 3.87Å; I126-F131 HydrophobicContact CG2-CG 3.66Å; I126-I145 HydrophobicContact CD1-CG2 4.17Å; I126-I145 HydrophobicContact CG2-CD1 4.11Å; I126-I145 HydrophobicContact CG2-CG1 4.46Å; I126-I152 HydrophobicContact CD1-CD1 3.82Å; I126-V160 HydrophobicContact CD1-CG1 3.68Å; I126-V160 HydrophobicContact CG1-CG1 4.33Å; I126-W161 PolarHBondContact N-O 3.44Å; I126-T163 PolarHBondContact O-N 3.08Å
127	Y	98.3	Very high	98.1	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	13%	0.125	C	C	.	.			trans	-86.7	106.1	163.1	-170.8	-99.8	0	0	0	108.8	R129 S130 F131 T163 Y175 P448 K506 W526	Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 HydrophobicContact CD1-CB 4.17Å; Y127-R129 HydrophobicContact CE1-CB 3.71Å; Y127-R129 PolarHBondContact O-N 2.82Å; Y127-S130 PolarHBondContact O-N 2.83Å; Y127-F131 PolarHBondContact O-N 3.46Å; Y127-T163 WeakPolarHBondContact CD2-OG1 3.43Å; Y127-Y175 WeakPolarHBondContact CE2-OH 3.33Å; Y127-P448 HydrophobicContact CD2-CB 4.49Å; Y127-K506 HydrophobicContact CD1-CB 4.44Å; Y127-K506 HydrophobicContact CE1-CB 4.3Å; Y127-K506 HydrophobicContact CE1-CD 4.4Å; Y127-K506 HydrophobicContact CE2-CD 4.14Å; Y127-W526 HydrophobicContact CD1-CZ2 4.26Å; Y127-W526 AromaticContact CE1-CH2 3.7Å; Y127-W526 HydrophobicContact CE1-CH2 3.7Å; Y127-W526 AromaticContact CE1-CZ2 3.55Å; Y127-W526 HydrophobicContact CE1-CZ2 3.55Å
128	P	98.1	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-62.4	-37.3	-162.1	22.6	-32.1	0	0	0	112.9	I126 S130 F131 G140 I145 I162 T163 F165 F187	I126-P128 WeakPolarHBondContact O-CD 3.37Å; P128-S130 PolarHBondContact O-N 2.88Å; P128-F131 PolarHBondContact O-N 3.39Å; P128-G140 CarbonylContact O-C 3.35Å; P128-G140 WeakPolarHBondContact O-CA 3.06Å; P128-I145 HydrophobicContact CB-CD1 4.07Å; P128-I162 HydrophobicContact CB-CG2 4.07Å; P128-I162 HydrophobicContact CG-CG2 4.04Å; P128-T163 WeakPolarHBondContact CD-OG1 3.32Å; P128-F165 HydrophobicContact CG-CB 4.45Å; P128-F187 HydrophobicContact CB-CD1 4.14Å; P128-F187 HydrophobicContact CB-CE1 4.03Å; P128-F187 HydrophobicContact CG-CD1 4.39Å; P128-F187 HydrophobicContact CG-CE1 3.93Å; P128-F187 HydrophobicContact CG-CZ 4.06Å
129	R	97.6	Very high	98	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.026	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-62.2	-17.3	-179.7	-154.3	178.4	178.4	175.1	-0.1	113.4	Y127 N139 G140 I186 F187 E496 Y498 F519 W526	Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 HydrophobicContact CD1-CB 4.17Å; Y127-R129 HydrophobicContact CE1-CB 3.71Å; Y127-R129 PolarHBondContact O-N 2.82Å; R129-N139 HydrophobicContact CG-CB 4.26Å; R129-N139 PolarHBondContact NE-OD1 3.19Å; R129-N139 PolarHBondContact NH2-OD1 3.21Å; R129-N139 VanDerWaalsContact NH2-OD1 3.14Å; R129-G140 WeakPolarHBondContact O-CA 3.39Å; R129-G140 PolarHBondContact O-N 3.22Å; R129-I186 HydrophobicContact CG-CD1 4.18Å; R129-F187 HydrophobicContact CB-CE1 3.74Å; R129-F187 HydrophobicContact CB-CZ 4.2Å; R129-F187 HydrophobicContact CG-CE1 4.14Å; R129-E496 IonicContact CZ-OE1 2.69Å; R129-E496 IonicContact CZ-OE2 3.78Å; R129-E496 IonicContact NH1-OE1 3.7Å; R129-E496 IonicContact NH1-OE2 3.75Å; R129-E496 PolarHBondContact NH1-OE2 3.34Å; R129-E496 IonicContact NH2-OE1 3.88Å; R129-E496 PolarHBondContact NH2-OE1 2.03Å; R129-E496 IonicContact NH2-OE2 2.87Å; R129-E496 PolarHBondContact NH2-OE2 2.86Å; R129-Y498 PolarHBondContact NH1-OH 3.23Å; R129-F519 WeakPolarHBondContact O-CZ 3.34Å; R129-W526 HydrophobicContact CB-CZ2 4.18Å; R129-W526 HydrophobicContact CG-CD2 3.97Å; R129-W526 HydrophobicContact CG-CG 4.11Å; R129-W526 HydrophobicContact CG-CZ2 4.28Å; R129-W526 PolarHBondContact O-NE1 3.09Å
130	S	98.4	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-120.3	7.8	-176.5	-78.4	0	0	0	0	114.9	Y127 P128 Y480 K506 P508 M509 W526	Y127-S130 PolarHBondContact O-N 2.83Å; P128-S130 PolarHBondContact O-N 2.88Å; S130-Y480 VanDerWaalsContact CB-OH 3.25Å; S130-Y480 WeakPolarHBondContact CB-OH 3.35Å; S130-K506 WeakPolarHBondContact CB-O 3.38Å; S130-K506 PolarHBondContact OG-O 2.91Å; S130-P508 CarbonylContact O-C 3.57Å; S130-P508 WeakPolarHBondContact O-CA 3.49Å; S130-M509 PolarHBondContact O-N 2.87Å; S130-W526 VanDerWaalsContact OG-CE2 3.29Å; S130-W526 WeakPolarHBondContact OG-CZ2 3.41Å; S130-W526 PolarHBondContact OG-NE1 3.44Å
131	F	98.8	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-58.5	-176.6	-163.6	-113	0	0	0	113.4	Y124 I126 Y127 P128 I145 K148 I152 Y480 M509 W511	Y124-F131 AromaticContact CE1-CE2 3.96Å; Y124-F131 HydrophobicContact CE1-CE2 3.96Å; Y124-F131 HydrophobicContact CE1-CZ 4.35Å; I126-F131 HydrophobicContact CD1-CD1 4.28Å; I126-F131 HydrophobicContact CD1-CD2 4.34Å; I126-F131 HydrophobicContact CD1-CE1 4Å; I126-F131 HydrophobicContact CD1-CE2 4.13Å; I126-F131 HydrophobicContact CD1-CG 4.41Å; I126-F131 HydrophobicContact CD1-CZ 3.93Å; I126-F131 HydrophobicContact CG1-CD2 4.31Å; I126-F131 HydrophobicContact CG1-CE2 4.28Å; I126-F131 HydrophobicContact CG2-CB 3.62Å; I126-F131 HydrophobicContact CG2-CD1 4.26Å; I126-F131 HydrophobicContact CG2-CD2 3.87Å; I126-F131 HydrophobicContact CG2-CG 3.66Å; Y127-F131 PolarHBondContact O-N 3.46Å; P128-F131 PolarHBondContact O-N 3.39Å; F131-I145 HydrophobicContact CB-CG1 4.35Å; F131-I145 HydrophobicContact CD1-CB 4.29Å; F131-I145 HydrophobicContact CD1-CG1 3.8Å; F131-I145 HydrophobicContact CD1-CG2 4.45Å; F131-I145 HydrophobicContact CE1-CG2 4.48Å; F131-I145 HydrophobicContact CG-CG1 4.45Å; F131-K148 HydrophobicContact CE1-CB 3.73Å; F131-K148 HydrophobicContact CE1-CG 4.35Å; F131-K148 HydrophobicContact CZ-CB 4.38Å; F131-I152 HydrophobicContact CE1-CD1 4.3Å; F131-I152 HydrophobicContact CZ-CD1 4.15Å; F131-I152 HydrophobicContact CZ-CG1 4.37Å; F131-Y480 HydrophobicContact CD2-CD2 4.38Å; F131-Y480 HydrophobicContact CD2-CG 4.43Å; F131-M509 WeakPolarHBondContact O-CB 3.49Å; F131-W511 HydrophobicContact CD1-CZ2 4.32Å; F131-W511 HydrophobicContact CD2-CZ2 4.33Å; F131-W511 HydrophobicContact CE1-CH2 4.21Å; F131-W511 AromaticContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE2-CH2 4.08Å; F131-W511 AromaticContact CE2-CZ2 3.94Å; F131-W511 HydrophobicContact CE2-CZ2 3.94Å; F131-W511 AromaticContact CZ-CH2 3.71Å; F131-W511 HydrophobicContact CZ-CH2 3.71Å; F131-W511 AromaticContact CZ-CZ2 3.77Å; F131-W511 HydrophobicContact CZ-CZ2 3.77Å; F131-W511 PolarHBondContact O-NE1 2.99Å
132	K	98.8	Very high	98.3	Very high	34 Å²	34	19.5 Å²	19.5	15%	0.148	10%	0.1	C	C	.	.			trans	-159.2	129	175.5	-176	69.3	-174.1	78.9	0	110.6	G140 D141 K148 G518 F519	K132-G140 CarbonylContact O-C 3.6Å; K132-G140 WeakPolarHBondContact O-CA 3.49Å; K132-D141 PolarHBondContact O-N 3Å; K132-K148 HydrophobicContact CB-CG 4.25Å; K132-K148 HydrophobicContact CG-CG 4.23Å; K132-G518 VanDerWaalsContact CE-O 3.24Å; K132-G518 WeakPolarHBondContact CE-O 3.25Å; K132-G518 PolarHBondContact NZ-O 3.37Å; K132-F519 PolarHBondContact NZ-O 3.11Å
133	D	98.7	Very high	98.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	11%	0.113	C	C	.	.			trans	-89.1	126.3	171.1	173.3	-1.3	0	0	0	109.5	N135 K136 D137 G138 N139 F519 S520	D133-N135 PolarHBondContact OD1-N 3.35Å; D133-K136 PolarHBondContact OD1-N 2.93Å; D133-K136 WeakPolarHBondContact OD2-CA 3.33Å; D133-D137 PolarHBondContact OD2-N 3.17Å; D133-G138 WeakPolarHBondContact OD2-CA 3.45Å; D133-G138 PolarHBondContact OD2-N 3.37Å; D133-N139 WeakPolarHBondContact CA-O 3.31Å; D133-N139 WeakPolarHBondContact CB-O 3.36Å; D133-N139 VanDerWaalsContact CG-O 3.26Å; D133-F519 HydrophobicContact CB-CE1 4.15Å; D133-F519 HydrophobicContact CB-CZ 4.14Å; D133-F519 PolarHBondContact N-O 3.21Å; D133-F519 VanDerWaalsContact N-O 3.13Å; D133-S520 VanDerWaalsContact OD2-CB 3.24Å; D133-S520 WeakPolarHBondContact OD2-CB 3.39Å; D133-S520 PolarHBondContact OD2-OG 2.84Å
134	S	98.4	Very high	98.3	Very high	49 Å²	49	22.6 Å²	22.6	34%	0.343	11%	0.113	S	C	.	.	S	Bend	trans	-104.4	-14.1	177.9	81.4	0	0	0	0	114.4	D141	S134-D141 WeakPolarHBondContact CB-OD1 3.41Å; S134-D141 PolarHBondContact N-OD1 3.12Å; S134-D141 PolarHBondContact N-OD2 3.01Å; S134-D141 PolarHBondContact OG-OD1 3.4Å; S134-D141 VanDerWaalsContact OG-OD1 3.07Å; S134-D141 PolarHBondContact OG-OD2 3Å
135	N	97.8	Very high	98.3	Very high	85 Å²	85	22.6 Å²	22.6	46%	0.455	11%	0.113	S	C	.	.	S	Bend	trans	-117.9	-0.8	-168.5	72.7	43.5	0	0	0	114.5	D133 D137 D141	D133-N135 PolarHBondContact OD1-N 3.35Å; N135-D137 WeakPolarHBondContact OD1-CB 3.37Å; N135-D137 PolarHBondContact OD1-N 2.84Å; N135-D137 VanDerWaalsContact OD1-N 3.13Å; N135-D137 PolarHBondContact OD1-OD1 3.13Å; N135-D141 PolarHBondContact ND2-OD2 3.29Å
136	K	98.1	Very high	98.3	Very high	120 Å²	120	24.7 Å²	24.7	52%	0.522	12%	0.123	S	C	.	.	S	Bend	trans	71.1	30.8	173.8	-39.8	-176.5	-171	-162.4	0	114	D133 E521 A522	D133-K136 PolarHBondContact OD1-N 2.93Å; D133-K136 WeakPolarHBondContact OD2-CA 3.33Å; K136-E521 HydrophobicContact CD-CB 3.96Å; K136-E521 VanDerWaalsContact CE-OE2 3.26Å; K136-E521 WeakPolarHBondContact CE-OE2 3.34Å; K136-E521 HydrophobicContact CG-CB 4.11Å; K136-E521 IonicContact NZ-OE2 2.66Å; K136-E521 PolarHBondContact NZ-OE2 3.16Å; K136-A522 WeakPolarHBondContact O-CB 3.04Å
137	D	97	Very high	98.3	Very high	72 Å²	72	29 Å²	29	39%	0.385	15%	0.146	S	C	.	.	S	Bend	trans	-95	-6.3	173.2	80.6	-20.7	0	0	0	113.6	D133 N135 N139	D133-D137 PolarHBondContact OD2-N 3.17Å; N135-D137 WeakPolarHBondContact OD1-CB 3.37Å; N135-D137 PolarHBondContact OD1-N 2.84Å; N135-D137 VanDerWaalsContact OD1-N 3.13Å; N135-D137 PolarHBondContact OD1-OD1 3.13Å; D137-N139 WeakPolarHBondContact OD1-CA 3.03Å; D137-N139 WeakPolarHBondContact OD1-CB 3.03Å; D137-N139 PolarHBondContact OD1-N 3.33Å; D137-N139 PolarHBondContact OD2-ND2 2.98Å
138	G	96.8	Very high	98.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	87.1	2.2	-179.1	0	0	0	0	0	114.7	D133 W526	D133-G138 WeakPolarHBondContact OD2-CA 3.45Å; D133-G138 PolarHBondContact OD2-N 3.37Å; G138-W526 PolarHBondContact O-N 2.04Å
139	N	97.7	Very high	98.3	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.102	16%	0.156	C	C	.	.	S	Bend	trans	-108	141.9	172.5	-56.8	-71.4	0	0	0	110.3	R129 D133 D137 W526	R129-N139 HydrophobicContact CG-CB 4.26Å; R129-N139 PolarHBondContact NE-OD1 3.19Å; R129-N139 PolarHBondContact NH2-OD1 3.21Å; R129-N139 VanDerWaalsContact NH2-OD1 3.14Å; D133-N139 WeakPolarHBondContact CA-O 3.31Å; D133-N139 WeakPolarHBondContact CB-O 3.36Å; D133-N139 VanDerWaalsContact CG-O 3.26Å; D137-N139 WeakPolarHBondContact OD1-CA 3.03Å; D137-N139 WeakPolarHBondContact OD1-CB 3.03Å; D137-N139 PolarHBondContact OD1-N 3.33Å; D137-N139 PolarHBondContact OD2-ND2 2.98Å; N139-W526 WeakPolarHBondContact OD1-CB 3.42Å
140	G	98.4	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.			trans	-72.1	142	170.3	0	0	0	0	0	111	P128 R129 K132 F187	P128-G140 CarbonylContact O-C 3.35Å; P128-G140 WeakPolarHBondContact O-CA 3.06Å; R129-G140 WeakPolarHBondContact O-CA 3.39Å; R129-G140 PolarHBondContact O-N 3.22Å; K132-G140 CarbonylContact O-C 3.6Å; K132-G140 WeakPolarHBondContact O-CA 3.49Å; G140-F187 VanDerWaalsContact O-CD1 3.32Å; G140-F187 WeakPolarHBondContact O-CD1 3.4Å
141	D	98.7	Very high	98.4	Very high	5 Å²	5	37 Å²	37	3%	0.027	19%	0.186	C	C	.	.			trans	-129.4	164.8	-175.1	58.3	18.9	0	0	0	112.5	K132 S134 N135 K143 G144 I145	K132-D141 PolarHBondContact O-N 3Å; S134-D141 WeakPolarHBondContact CB-OD1 3.41Å; S134-D141 PolarHBondContact N-OD1 3.12Å; S134-D141 PolarHBondContact N-OD2 3.01Å; S134-D141 PolarHBondContact OG-OD1 3.4Å; S134-D141 VanDerWaalsContact OG-OD1 3.07Å; S134-D141 PolarHBondContact OG-OD2 3Å; N135-D141 PolarHBondContact ND2-OD2 3.29Å; D141-K143 PolarHBondContact O-N 3.14Å; D141-G144 PolarHBondContact O-N 2.8Å; D141-G144 WeakPolarHBondContact OD1-CA 3.42Å; D141-G144 PolarHBondContact OD1-N 2.86Å; D141-I145 PolarHBondContact O-N 3.24Å
142	L	98.8	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-32.2	-178.2	-63	-177.4	0	0	0	111.7	I145 Q146 V183 F187 D192 F193 L196	L142-I145 HydrophobicContact CD2-CD1 4.19Å; L142-I145 WeakPolarHBondContact O-CB 3.5Å; L142-I145 PolarHBondContact O-N 3.26Å; L142-Q146 PolarHBondContact O-N 3.49Å; L142-Q146 VanDerWaalsContact O-N 3.08Å; L142-V183 HydrophobicContact CD1-CG1 4Å; L142-F187 HydrophobicContact CG-CB 4.19Å; L142-F187 WeakPolarHBondContact CG-O 3.45Å; L142-F187 PolarHBondContact N-O 2.65Å; L142-D192 HydrophobicContact CB-CB 4.39Å; L142-F193 HydrophobicContact CD1-CB 3.82Å; L142-F193 HydrophobicContact CD1-CD2 4.26Å; L142-L196 HydrophobicContact CB-CD2 4.15Å; L142-L196 HydrophobicContact CD2-CD2 4.07Å
143	K	98.8	Very high	98.4	Very high	69 Å²	69	37.9 Å²	37.9	30%	0.3	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-41.9	176.1	-179.5	55.9	-178.1	140.7	0	111.8	D141 I145 Q146 D147	D141-K143 PolarHBondContact O-N 3.14Å; K143-I145 VanDerWaalsContact C-N 3.3Å; K143-I145 PolarHBondContact O-N 3.37Å; K143-Q146 VanDerWaalsContact CD-OE1 3.26Å; K143-Q146 VanDerWaalsContact O-CB 3.26Å; K143-Q146 WeakPolarHBondContact O-CB 3.45Å; K143-Q146 PolarHBondContact O-N 3.06Å; K143-Q146 VanDerWaalsContact O-N 3.11Å; K143-D147 WeakPolarHBondContact CE-OD1 3.4Å; K143-D147 IonicContact NZ-OD1 3.18Å; K143-D147 PolarHBondContact NZ-OD1 2.67Å; K143-D147 PolarHBondContact O-N 2.62Å
144	G	98.8	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-35.2	174	0	0	0	0	0	113.2	D141 D147 K148	D141-G144 PolarHBondContact O-N 2.8Å; D141-G144 WeakPolarHBondContact OD1-CA 3.42Å; D141-G144 PolarHBondContact OD1-N 2.86Å; G144-D147 PolarHBondContact O-N 2.64Å; G144-K148 WeakPolarHBondContact O-CG 3.22Å; G144-K148 PolarHBondContact O-N 3Å
145	I	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-46.5	171.3	-58.9	173	0	0	0	110.2	I126 P128 F131 D141 L142 K143 D147 K148 L149 I162 L196	I126-I145 HydrophobicContact CD1-CG2 4.17Å; I126-I145 HydrophobicContact CG2-CD1 4.11Å; I126-I145 HydrophobicContact CG2-CG1 4.46Å; P128-I145 HydrophobicContact CB-CD1 4.07Å; F131-I145 HydrophobicContact CB-CG1 4.35Å; F131-I145 HydrophobicContact CD1-CB 4.29Å; F131-I145 HydrophobicContact CD1-CG1 3.8Å; F131-I145 HydrophobicContact CD1-CG2 4.45Å; F131-I145 HydrophobicContact CE1-CG2 4.48Å; F131-I145 HydrophobicContact CG-CG1 4.45Å; D141-I145 PolarHBondContact O-N 3.24Å; L142-I145 HydrophobicContact CD2-CD1 4.19Å; L142-I145 WeakPolarHBondContact O-CB 3.5Å; L142-I145 PolarHBondContact O-N 3.26Å; K143-I145 VanDerWaalsContact C-N 3.3Å; K143-I145 PolarHBondContact O-N 3.37Å; I145-D147 VanDerWaalsContact C-N 3.27Å; I145-D147 PolarHBondContact O-N 2.98Å; I145-K148 PolarHBondContact O-N 3.35Å; I145-L149 PolarHBondContact O-N 3.37Å; I145-I162 HydrophobicContact CD1-CD1 4Å; I145-I162 HydrophobicContact CD1-CG2 4.46Å; I145-L196 HydrophobicContact CB-CD1 4.34Å; I145-L196 HydrophobicContact CB-CD2 4.45Å; I145-L196 HydrophobicContact CG2-CD1 4.04Å; I145-L196 HydrophobicContact CG2-CD2 4.41Å
146	Q	98.9	Very high	98.5	Very high	47 Å²	47	36.4 Å²	36.4	22%	0.22	19%	0.189	C	C	.	.	H	α-helix	trans	-55.4	-43.5	178.4	-164.5	-168.6	10.3	0	0	111.6	L142 K143 K148 L149 L196 A199	L142-Q146 PolarHBondContact O-N 3.49Å; L142-Q146 VanDerWaalsContact O-N 3.08Å; K143-Q146 VanDerWaalsContact CD-OE1 3.26Å; K143-Q146 VanDerWaalsContact O-CB 3.26Å; K143-Q146 WeakPolarHBondContact O-CB 3.45Å; K143-Q146 PolarHBondContact O-N 3.06Å; K143-Q146 VanDerWaalsContact O-N 3.11Å; Q146-K148 PolarHBondContact O-N 3.31Å; Q146-L149 HydrophobicContact CG-CD1 4.28Å; Q146-L149 VanDerWaalsContact O-CG 3.31Å; Q146-L149 WeakPolarHBondContact O-CG 3.19Å; Q146-L149 PolarHBondContact O-N 2.79Å; Q146-L196 HydrophobicContact CB-CD1 3.9Å; Q146-L196 HydrophobicContact CG-CD1 4.36Å; Q146-A199 HydrophobicContact CG-CB 3.79Å
147	D	98.7	Very high	98.5	Very high	90 Å²	90	31 Å²	31	48%	0.481	17%	0.166	S	C	.	.	H	α-helix	trans	-69.1	-15	-178.7	-65.4	-13.9	0	0	0	113.3	K143 G144 I145	K143-D147 WeakPolarHBondContact CE-OD1 3.4Å; K143-D147 IonicContact NZ-OD1 3.18Å; K143-D147 PolarHBondContact NZ-OD1 2.67Å; K143-D147 PolarHBondContact O-N 2.62Å; G144-D147 PolarHBondContact O-N 2.64Å; I145-D147 VanDerWaalsContact C-N 3.27Å; I145-D147 PolarHBondContact O-N 2.98Å
148	K	98.8	Very high	98.6	Very high	53 Å²	53	30.2 Å²	30.2	23%	0.23	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	7	179.7	-64.8	-61.9	-174.5	-179.4	0	113.7	F131 K132 G144 I145 Q146 D150 Y151 I152 W511	F131-K148 HydrophobicContact CE1-CB 3.73Å; F131-K148 HydrophobicContact CE1-CG 4.35Å; F131-K148 HydrophobicContact CZ-CB 4.38Å; K132-K148 HydrophobicContact CB-CG 4.25Å; K132-K148 HydrophobicContact CG-CG 4.23Å; G144-K148 WeakPolarHBondContact O-CG 3.22Å; G144-K148 PolarHBondContact O-N 3Å; I145-K148 PolarHBondContact O-N 3.35Å; Q146-K148 PolarHBondContact O-N 3.31Å; K148-D150 PolarHBondContact O-N 3.39Å; K148-Y151 WeakPolarHBondContact O-CB 3.45Å; K148-Y151 PolarHBondContact O-N 2.78Å; K148-I152 PolarHBondContact O-N 3.29Å; K148-W511 HydrophobicContact CB-CH2 4.04Å; K148-W511 HydrophobicContact CB-CZ2 4.25Å; K148-W511 HydrophobicContact CD-CD2 4.36Å; K148-W511 HydrophobicContact CD-CE3 4.25Å; K148-W511 HydrophobicContact CD-CH2 3.9Å; K148-W511 HydrophobicContact CD-CZ2 4Å; K148-W511 HydrophobicContact CD-CZ3 4.03Å; K148-W511 HydrophobicContact CG-CH2 3.89Å; K148-W511 HydrophobicContact CG-CZ2 3.75Å
149	L	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-32.7	178	-67.5	176.5	0	0	0	113.1	I145 Q146 Y151 I152 T153 L196 A199 I200 K203 L205	I145-L149 PolarHBondContact O-N 3.37Å; Q146-L149 HydrophobicContact CG-CD1 4.28Å; Q146-L149 VanDerWaalsContact O-CG 3.31Å; Q146-L149 WeakPolarHBondContact O-CG 3.19Å; Q146-L149 PolarHBondContact O-N 2.79Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 3.11Å; L149-I152 HydrophobicContact CD2-CD1 4.23Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-T153 WeakPolarHBondContact O-CG2 3.39Å; L149-T153 PolarHBondContact O-N 2.97Å; L149-L196 HydrophobicContact CD1-CD1 4.43Å; L149-L196 HydrophobicContact CD2-CD1 4.49Å; L149-A199 HydrophobicContact CD1-CB 3.73Å; L149-I200 HydrophobicContact CD1-CG1 4.02Å; L149-I200 HydrophobicContact CD2-CD1 4.43Å; L149-I200 HydrophobicContact CD2-CG1 3.68Å; L149-K203 HydrophobicContact CB-CD 3.66Å; L149-K203 HydrophobicContact CD1-CD 4.31Å; L149-L205 HydrophobicContact CD2-CD1 4.28Å
150	D	98.8	Very high	98.7	Very high	102 Å²	102	29.2 Å²	29.2	55%	0.545	15%	0.154	S	C	.	.	H	α-helix	trans	-61.7	-38.9	175.6	-76.1	-23.2	0	0	0	112.2	K148 T153 A154 K203	K148-D150 PolarHBondContact O-N 3.39Å; D150-T153 PolarHBondContact O-N 3.4Å; D150-T153 PolarHBondContact O-OG1 3.37Å; D150-A154 WeakPolarHBondContact O-CB 3.33Å; D150-A154 PolarHBondContact O-N 2.88Å; D150-K203 WeakPolarHBondContact OD1-CE 3.4Å; D150-K203 IonicContact OD1-NZ 2.82Å; D150-K203 PolarHBondContact OD1-NZ 3.42Å
151	Y	98.8	Very high	98.7	Very high	28 Å²	28	29.2 Å²	29.2	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.4	166.5	-101.1	0	0	0	111.2	K148 L149 T153 A154 L155 E483 M509 W511 V538 L549	K148-Y151 WeakPolarHBondContact O-CB 3.45Å; K148-Y151 PolarHBondContact O-N 2.78Å; L149-Y151 VanDerWaalsContact C-N 3.3Å; L149-Y151 PolarHBondContact O-N 3.11Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.25Å; Y151-A154 WeakPolarHBondContact O-CB 3.36Å; Y151-A154 PolarHBondContact O-N 2.92Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; Y151-L155 HydrophobicContact CD1-CD1 4.28Å; Y151-L155 HydrophobicContact CE1-CD1 3.61Å; Y151-L155 HydrophobicContact CE1-CG 4.33Å; Y151-L155 HydrophobicContact CE2-CD1 4.41Å; Y151-L155 HydrophobicContact CE2-CD2 4.3Å; Y151-L155 HydrophobicContact CE2-CG 4.37Å; Y151-L155 PolarHBondContact O-N 3.21Å; Y151-E483 WeakPolarHBondContact OH-CG 3.17Å; Y151-E483 PolarHBondContact OH-OE1 2.9Å; Y151-M509 HydrophobicContact CE1-CE 4.41Å; Y151-W511 AromaticContact CD1-CH2 3.56Å; Y151-W511 HydrophobicContact CD1-CH2 3.56Å; Y151-W511 AromaticContact CD1-CZ3 3.53Å; Y151-W511 HydrophobicContact CD1-CZ3 3.53Å; Y151-W511 HydrophobicContact CD2-CZ3 4.11Å; Y151-W511 AromaticContact CE1-CH2 3.82Å; Y151-W511 HydrophobicContact CE1-CH2 3.82Å; Y151-W511 AromaticContact CE1-CZ3 3.75Å; Y151-W511 HydrophobicContact CE1-CZ3 3.75Å; Y151-W511 HydrophobicContact CE2-CZ3 4.31Å; Y151-W511 HydrophobicContact CG-CH2 4.15Å; Y151-W511 AromaticContact CG-CZ3 3.7Å; Y151-W511 HydrophobicContact CG-CZ3 3.7Å; Y151-V538 HydrophobicContact CD2-CG1 3.95Å; Y151-V538 HydrophobicContact CE2-CB 4.45Å; Y151-V538 HydrophobicContact CE2-CG1 3.57Å; Y151-V538 HydrophobicContact CE2-CG2 3.94Å; Y151-L549 HydrophobicContact CE2-CD1 4.37Å
152	I	98.8	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-43.1	178	-64.4	173.1	0	0	0	111	I126 F131 K148 L149 A154 L155 V157 V160 L205	I126-I152 HydrophobicContact CD1-CD1 3.82Å; F131-I152 HydrophobicContact CE1-CD1 4.3Å; F131-I152 HydrophobicContact CZ-CD1 4.15Å; F131-I152 HydrophobicContact CZ-CG1 4.37Å; K148-I152 PolarHBondContact O-N 3.29Å; L149-I152 HydrophobicContact CD2-CD1 4.23Å; L149-I152 PolarHBondContact O-N 3.39Å; I152-A154 VanDerWaalsContact C-N 3.3Å; I152-A154 PolarHBondContact O-N 2.86Å; I152-L155 WeakPolarHBondContact O-CB 3.23Å; I152-L155 PolarHBondContact O-N 2.73Å; I152-L155 VanDerWaalsContact O-N 3.1Å; I152-V157 HydrophobicContact CG2-CB 3.67Å; I152-V157 HydrophobicContact CG2-CG1 3.76Å; I152-V157 HydrophobicContact CG2-CG2 4.19Å; I152-V160 HydrophobicContact CD1-CG2 4.24Å; I152-V160 HydrophobicContact CG2-CG2 4.01Å; I152-L205 HydrophobicContact CG2-CD1 4.21Å
153	T	98.6	Very high	98.7	Very high	51 Å²	51	29.1 Å²	29.1	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-64.2	-34.6	175.4	61.9	0	0	0	0	112.7	L149 D150 Y151 L155 N156 K203 L205	L149-T153 WeakPolarHBondContact O-CG2 3.39Å; L149-T153 PolarHBondContact O-N 2.97Å; D150-T153 PolarHBondContact O-N 3.4Å; D150-T153 PolarHBondContact O-OG1 3.37Å; Y151-T153 VanDerWaalsContact C-N 3.34Å; Y151-T153 PolarHBondContact O-N 3.25Å; T153-L155 PolarHBondContact O-N 3.04Å; T153-N156 PolarHBondContact O-N 3.25Å; T153-K203 HydrophobicContact CG2-CB 4.12Å; T153-K203 HydrophobicContact CG2-CD 4.11Å; T153-L205 HydrophobicContact CG2-CD1 3.97Å; T153-L205 HydrophobicContact CG2-CD2 4.3Å; T153-L205 HydrophobicContact CG2-CG 4.24Å
154	A	98.4	Very high	98.6	Very high	49 Å²	49	26 Å²	26	41%	0.405	14%	0.14	S	C	.	.	H	α-helix	trans	-70.7	-11.2	175.9	0	0	0	0	0	113.7	D150 Y151 I152 N156 Q553	D150-A154 WeakPolarHBondContact O-CB 3.33Å; D150-A154 PolarHBondContact O-N 2.88Å; Y151-A154 WeakPolarHBondContact O-CB 3.36Å; Y151-A154 PolarHBondContact O-N 2.92Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; I152-A154 VanDerWaalsContact C-N 3.3Å; I152-A154 PolarHBondContact O-N 2.86Å; A154-N156 VanDerWaalsContact C-N 3.35Å; A154-Q553 PolarHBondContact O-NE2 3.22Å; A154-Q553 VanDerWaalsContact O-NE2 3.13Å
155	L	98.6	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4	169.4	-64.2	-179.8	0	0	0	112.9	Y124 Y151 I152 T153 V157 E483 L549 Y552 Q553 S556	Y124-L155 HydrophobicContact CE2-CD1 4.07Å; Y151-L155 HydrophobicContact CD1-CD1 4.28Å; Y151-L155 HydrophobicContact CE1-CD1 3.61Å; Y151-L155 HydrophobicContact CE1-CG 4.33Å; Y151-L155 HydrophobicContact CE2-CD1 4.41Å; Y151-L155 HydrophobicContact CE2-CD2 4.3Å; Y151-L155 HydrophobicContact CE2-CG 4.37Å; Y151-L155 PolarHBondContact O-N 3.21Å; I152-L155 WeakPolarHBondContact O-CB 3.23Å; I152-L155 PolarHBondContact O-N 2.73Å; I152-L155 VanDerWaalsContact O-N 3.1Å; T153-L155 PolarHBondContact O-N 3.04Å; L155-V157 HydrophobicContact CB-CG2 3.88Å; L155-V157 PolarHBondContact O-N 3.34Å; L155-E483 HydrophobicContact CD1-CG 4.11Å; L155-E483 HydrophobicContact CD2-CG 4.11Å; L155-L549 HydrophobicContact CD2-CD1 3.56Å; L155-Y552 HydrophobicContact CB-CE1 4.08Å; L155-Y552 HydrophobicContact CD2-CD1 3.98Å; L155-Y552 HydrophobicContact CD2-CE1 4.19Å; L155-Q553 HydrophobicContact CD2-CG 4.19Å; L155-S556 WeakPolarHBondContact O-CB 3.39Å; L155-S556 PolarHBondContact O-OG 2.77Å
156	N	98.6	Very high	98.6	Very high	58 Å²	58	26.1 Å²	26.1	31%	0.31	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	30.5	-176.3	-54.3	108.2	0	0	0	113.6	P122 T153 A154	P122-N156 WeakPolarHBondContact CG-O 3.26Å; T153-N156 PolarHBondContact O-N 3.25Å; A154-N156 VanDerWaalsContact C-N 3.35Å
157	V	98.5	Very high	98.5	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.048	15%	0.148	C	C	.	.			trans	-70	139.8	174.8	171.4	0	0	0	0	110.6	Y124 I152 L155 T159 L205	Y124-V157 HydrophobicContact CD2-CG2 4.28Å; Y124-V157 HydrophobicContact CG-CG2 4.24Å; I152-V157 HydrophobicContact CG2-CB 3.67Å; I152-V157 HydrophobicContact CG2-CG1 3.76Å; I152-V157 HydrophobicContact CG2-CG2 4.19Å; L155-V157 HydrophobicContact CB-CG2 3.88Å; L155-V157 PolarHBondContact O-N 3.34Å; V157-T159 VanDerWaalsContact CG1-O 3.25Å; V157-T159 WeakPolarHBondContact CG1-O 3.36Å; V157-L205 WeakPolarHBondContact O-CD2 3.22Å
158	K	98.7	Very high	98.3	Very high	54 Å²	54	24.1 Å²	24.1	24%	0.235	13%	0.127	C	C	.	.			trans	-98.7	-40.2	173.6	-175.8	55.2	175.9	174.6	0	112	W117 P122 G204 L205 K206	W117-K158 WeakPolarHBondContact O-CG 3.34Å; P122-K158 PolarHBondContact O-N 3.08Å; K158-G204 PolarHBondContact NZ-O 2.9Å; K158-L205 WeakPolarHBondContact O-CA 3.31Å; K158-K206 PolarHBondContact O-N 2.9Å
159	T	98.9	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.8	-172.2	-51.2	0	0	0	0	110.5	W117 P122 M123 Y124 V157 K206 I208	W117-T159 HydrophobicContact CZ3-CG2 3.84Å; W117-T159 WeakPolarHBondContact CZ3-OG1 3.22Å; P122-T159 PolarHBondContact O-N 3.37Å; P122-T159 VanDerWaalsContact O-N 3.16Å; M123-T159 CarbonylContact C-O 3.18Å; M123-T159 VanDerWaalsContact CA-O 3.3Å; M123-T159 WeakPolarHBondContact CA-O 3.26Å; M123-T159 HydrophobicContact CG-CG2 4.25Å; Y124-T159 PolarHBondContact N-O 3.14Å; V157-T159 VanDerWaalsContact CG1-O 3.25Å; V157-T159 WeakPolarHBondContact CG1-O 3.36Å; T159-K206 CarbonylContact C-O 3.54Å; T159-K206 WeakPolarHBondContact CA-O 3.49Å; T159-K206 HydrophobicContact CG2-CB 4.32Å; T159-I208 HydrophobicContact CG2-CD1 4.37Å; T159-I208 HydrophobicContact CG2-CG1 4.11Å; T159-I208 HydrophobicContact CG2-CG2 3.9Å
160	V	98.9	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.4	167.3	-177.9	0	0	0	0	107.7	I126 I152 I162 L205 K206 L207 I208	I126-V160 HydrophobicContact CD1-CG1 3.68Å; I126-V160 HydrophobicContact CG1-CG1 4.33Å; I152-V160 HydrophobicContact CD1-CG2 4.24Å; I152-V160 HydrophobicContact CG2-CG2 4.01Å; V160-I162 HydrophobicContact CG1-CD1 4.42Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; V160-L205 HydrophobicContact CG2-CD1 4.41Å; V160-K206 PolarHBondContact N-O 2.82Å; V160-L207 HydrophobicContact CB-CD1 4.44Å; V160-L207 HydrophobicContact CG1-CD1 4.43Å; V160-L207 WeakPolarHBondContact O-CA 2.98Å; V160-I208 PolarHBondContact O-N 3.13Å
161	W	98.9	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.3	171.9	175.6	7.1	0	0	0	108.2	Y124 Q125 I126 I208 D210 S312 E384 F409 M444 I477	Y124-W161 PolarHBondContact O-N 2.89Å; Q125-W161 CarbonylContact C-O 3.49Å; Q125-W161 WeakPolarHBondContact CA-O 3.42Å; Q125-W161 HydrophobicContact CB-CB 4.43Å; Q125-W161 HydrophobicContact CB-CD2 4.27Å; Q125-W161 HydrophobicContact CB-CE3 4.02Å; Q125-W161 HydrophobicContact CB-CG 4.49Å; Q125-W161 HydrophobicContact CG-CD2 3.8Å; Q125-W161 HydrophobicContact CG-CE3 3.87Å; Q125-W161 HydrophobicContact CG-CG 4.12Å; Q125-W161 HydrophobicContact CG-CZ3 4.38Å; Q125-W161 VanDerWaalsContact NE2-CH2 3.3Å; Q125-W161 VanDerWaalsContact NE2-CZ2 3.28Å; I126-W161 PolarHBondContact N-O 3.44Å; W161-I208 WeakPolarHBondContact CA-O 3.43Å; W161-I208 HydrophobicContact CB-CD1 3.81Å; W161-I208 HydrophobicContact CB-CG1 3.52Å; W161-I208 HydrophobicContact CD2-CD1 4.12Å; W161-I208 HydrophobicContact CG-CD1 3.79Å; W161-I208 HydrophobicContact CG-CG1 3.7Å; W161-D210 PolarHBondContact NE1-OD1 3.44Å; W161-S312 WeakPolarHBondContact CZ2-OG 3.39Å; W161-E384 WeakPolarHBondContact CZ2-OE1 3.48Å; W161-F409 HydrophobicContact CE3-CE1 4.02Å; W161-F409 HydrophobicContact CE3-CZ 4.29Å; W161-F409 HydrophobicContact CH2-CD1 4.04Å; W161-F409 HydrophobicContact CH2-CD2 4.32Å; W161-F409 AromaticContact CH2-CE1 3.82Å; W161-F409 HydrophobicContact CH2-CE1 3.82Å; W161-F409 HydrophobicContact CH2-CE2 4.12Å; W161-F409 HydrophobicContact CH2-CG 4.27Å; W161-F409 AromaticContact CH2-CZ 3.86Å; W161-F409 HydrophobicContact CH2-CZ 3.86Å; W161-F409 HydrophobicContact CZ2-CZ 4.38Å; W161-F409 AromaticContact CZ3-CD1 3.78Å; W161-F409 HydrophobicContact CZ3-CD1 3.78Å; W161-F409 AromaticContact CZ3-CE1 3.4Å; W161-F409 HydrophobicContact CZ3-CE1 3.4Å; W161-F409 VanDerWaalsContact CZ3-CE1 3.4Å; W161-F409 HydrophobicContact CZ3-CE2 4.5Å; W161-F409 HydrophobicContact CZ3-CG 4.46Å; W161-F409 AromaticContact CZ3-CZ 3.81Å; W161-F409 HydrophobicContact CZ3-CZ 3.81Å; W161-M444 HydrophobicContact CH2-CE 4.31Å; W161-M444 HydrophobicContact CZ3-CE 3.9Å; W161-I477 HydrophobicContact CE3-CG2 4.2Å; W161-I477 HydrophobicContact CZ3-CG2 4.2Å
162	I	98.8	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.8	176.2	-54.1	-179.4	0	0	0	108.5	P128 I145 V160 F165 L196 L207 I208 I209 D210	P128-I162 HydrophobicContact CB-CG2 4.07Å; P128-I162 HydrophobicContact CG-CG2 4.04Å; I145-I162 HydrophobicContact CD1-CD1 4Å; I145-I162 HydrophobicContact CD1-CG2 4.46Å; V160-I162 HydrophobicContact CG1-CD1 4.42Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; I162-F165 HydrophobicContact CG2-CD1 3.86Å; I162-F165 HydrophobicContact CG2-CE1 4.36Å; I162-L196 HydrophobicContact CD1-CD2 3.76Å; I162-L207 HydrophobicContact CB-CD1 4.43Å; I162-L207 HydrophobicContact CD1-CD1 3.61Å; I162-L207 HydrophobicContact CG1-CD1 3.68Å; I162-I208 PolarHBondContact N-O 3.02Å; I162-I209 WeakPolarHBondContact O-CA 3.48Å; I162-D210 PolarHBondContact O-N 3.46Å
163	T	98.1	Very high	93.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.118	C	C	.	.			trans	-67	171.1	174.7	68	0	0	0	0	111.1	Q125 I126 Y127 P128 F165 D210	Q125-T163 HydrophobicContact CG-CG2 4.13Å; I126-T163 PolarHBondContact O-N 3.08Å; Y127-T163 WeakPolarHBondContact CD2-OG1 3.43Å; P128-T163 WeakPolarHBondContact CD-OG1 3.32Å; T163-F165 PolarHBondContact O-N 3.08Å; T163-D210 WeakPolarHBondContact CA-OD2 3.05Å; T163-D210 VanDerWaalsContact CB-OD2 3.27Å; T163-D210 WeakPolarHBondContact CB-OD2 3.31Å
164	S	97.3	Very high	93	Very high	4 Å²	4	22 Å²	22	3%	0.028	11%	0.114	C	C	.	.			trans	-44.8	126.8	-176.2	-177.2	0	0	0	0	114.7	Y166 Y175 D210	S164-Y166 WeakPolarHBondContact OG-CD2 3.33Å; S164-Y175 VanDerWaalsContact CB-CE2 3.49Å; S164-D210 PolarHBondContact N-OD2 3.26Å
165	F	97.8	Very high	92.3	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.101	C	C	.	.			trans	-127.8	10.9	174.4	58.2	-95	0	0	0	112.5	P128 I162 T163 V183 D184 F187 F193 I209 W303	P128-F165 HydrophobicContact CG-CB 4.45Å; I162-F165 HydrophobicContact CG2-CD1 3.86Å; I162-F165 HydrophobicContact CG2-CE1 4.36Å; T163-F165 PolarHBondContact O-N 3.08Å; F165-V183 HydrophobicContact CD2-CG1 4.2Å; F165-V183 HydrophobicContact CD2-CG2 4.07Å; F165-V183 HydrophobicContact CE2-CG2 4.09Å; F165-D184 PolarHBondContact O-N 3.09Å; F165-F187 HydrophobicContact CB-CD2 3.59Å; F165-F187 HydrophobicContact CB-CE2 3.95Å; F165-F187 HydrophobicContact CB-CG 4.2Å; F165-F193 HydrophobicContact CE1-CE2 4.32Å; F165-F193 AromaticContact CE2-CD2 3.9Å; F165-F193 HydrophobicContact CE2-CD2 3.9Å; F165-F193 HydrophobicContact CE2-CE2 4.07Å; F165-F193 AromaticContact CZ-CD2 3.79Å; F165-F193 HydrophobicContact CZ-CD2 3.79Å; F165-F193 AromaticContact CZ-CE2 3.51Å; F165-F193 HydrophobicContact CZ-CE2 3.51Å; F165-F193 HydrophobicContact CZ-CZ 4.4Å; F165-I209 HydrophobicContact CE1-CB 4.02Å; F165-I209 HydrophobicContact CE1-CD1 4.43Å; F165-I209 HydrophobicContact CE1-CG2 3.7Å; F165-I209 HydrophobicContact CZ-CD1 4.1Å; F165-I209 HydrophobicContact CZ-CG2 4.12Å; F165-W303 AromaticContact CE2-CH2 3.75Å; F165-W303 HydrophobicContact CE2-CH2 3.75Å; F165-W303 HydrophobicContact CE2-CZ3 4.02Å; F165-W303 HydrophobicContact CZ-CH2 4.27Å; F165-W303 HydrophobicContact CZ-CZ3 4.18Å
166	Y	98	Very high	92	Very high	2 Å²	2	21 Å²	21	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	151.7	178	-54.5	-72.8	0	0	0	110.9	S164 S168 V177 Q182 I209 D210 I212 W303	S164-Y166 WeakPolarHBondContact OG-CD2 3.33Å; Y166-S168 WeakPolarHBondContact O-CB 3.12Å; Y166-S168 PolarHBondContact O-N 2.85Å; Y166-S168 PolarHBondContact O-OG 3.15Å; Y166-V177 HydrophobicContact CD2-CG2 4.28Å; Y166-V177 HydrophobicContact CG-CG1 4.31Å; Y166-Q182 WeakPolarHBondContact CA-O 3.43Å; Y166-I209 WeakPolarHBondContact OH-CD1 3.23Å; Y166-D210 VanDerWaalsContact CE2-O 3.29Å; Y166-D210 WeakPolarHBondContact CE2-O 3.44Å; Y166-D210 PolarHBondContact OH-O 3Å; Y166-I212 HydrophobicContact CD2-CD1 3.86Å; Y166-I212 HydrophobicContact CE2-CD1 3.69Å; Y166-W303 AromaticContact CD1-CZ2 3.87Å; Y166-W303 HydrophobicContact CD1-CZ2 3.87Å; Y166-W303 AromaticContact CE1-CE2 3.61Å; Y166-W303 AromaticContact CE1-CZ2 3.57Å; Y166-W303 HydrophobicContact CE1-CZ2 3.57Å; Y166-W303 AromaticContact CE1-NE1 3.51Å
167	K	97.5	Very high	91.9	Very high	88 Å²	88	18.3 Å²	18.3	38%	0.383	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	115.4	171.8	-174.6	-172.3	175.6	-163.8	0	110	E178 D179 Q182	K167-E178 HydrophobicContact CD-CB 4.47Å; K167-E178 VanDerWaalsContact CE-OE2 3.28Å; K167-E178 WeakPolarHBondContact CE-OE2 3.33Å; K167-E178 HydrophobicContact CG-CB 4.38Å; K167-E178 IonicContact NZ-OE2 2.76Å; K167-E178 PolarHBondContact NZ-OE2 2.88Å; K167-E178 PolarHBondContact O-N 2.91Å; K167-D179 HydrophobicContact CB-CB 4.37Å; K167-D179 HydrophobicContact CD-CB 4.33Å; K167-D179 PolarHBondContact O-N 2.82Å; K167-Q182 HydrophobicContact CB-CB 4.16Å; K167-Q182 PolarHBondContact N-O 2.98Å
168	S	94.1	Very high	91.8	Very high	6 Å²	6	20 Å²	20	4%	0.042	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.9	-168.3	-58.9	0	0	0	0	113	Y166 K171 G176 D184	Y166-S168 WeakPolarHBondContact O-CB 3.12Å; Y166-S168 PolarHBondContact O-N 2.85Å; Y166-S168 PolarHBondContact O-OG 3.15Å; S168-K171 PolarHBondContact O-NZ 3.07Å; S168-G176 WeakPolarHBondContact CA-O 3.34Å; S168-G176 WeakPolarHBondContact CB-O 3.49Å; S168-D184 PolarHBondContact N-OD2 2.86Å
169	S	86.8	Confident	91.8	Very high	43 Å²	43	20.2 Å²	20.2	30%	0.301	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-36.5	172.3	-45.3	0	0	0	0	111.7	G176 E178 S217 K219	S169-G176 PolarHBondContact N-O 2.87Å; S169-E178 WeakPolarHBondContact CB-OE1 3.42Å; S169-E178 WeakPolarHBondContact OG-CG 3.38Å; S169-E178 PolarHBondContact OG-OE1 2.98Å; S169-S217 PolarHBondContact OG-OG 3.41Å; S169-K219 WeakPolarHBondContact OG-CD 3.42Å
170	L	80.1	Confident	91.7	Very high	20 Å²	20	20.3 Å²	20.3	11%	0.105	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	118.5	179.4	-171.4	65.9	0	0	0	108	F173 Y175 G176 M279 Q282	L170-F173 HydrophobicContact CD1-CD2 4.12Å; L170-F173 HydrophobicContact CD2-CB 4.11Å; L170-F173 HydrophobicContact CD2-CD2 4.11Å; L170-F173 HydrophobicContact CG-CD2 4.29Å; L170-Y175 WeakPolarHBondContact O-CA 3.26Å; L170-G176 PolarHBondContact O-N 2.69Å; L170-M279 HydrophobicContact CD2-CB 4.44Å; L170-M279 HydrophobicContact CD2-CG 4.28Å; L170-Q282 HydrophobicContact CD2-CG 4.39Å
171	K	78.7	Confident	91.7	Very high	38 Å²	38	24.8 Å²	24.8	17%	0.165	11%	0.114	C	C	.	.	S	Bend	trans	-101.2	13.6	-170.3	-68.7	174.3	161.9	62.8	0	113.2	S168 Y175 D184 I186 Y498	S168-K171 PolarHBondContact O-NZ 3.07Å; K171-Y175 WeakPolarHBondContact O-CE1 3.47Å; K171-D184 WeakPolarHBondContact CE-OD2 3.24Å; K171-D184 IonicContact NZ-OD1 3.32Å; K171-D184 PolarHBondContact NZ-OD1 3.04Å; K171-D184 IonicContact NZ-OD2 3.51Å; K171-D184 PolarHBondContact NZ-OD2 3.28Å; K171-I186 HydrophobicContact CD-CD1 4.05Å; K171-I186 VanDerWaalsContact CE-CD1 3.46Å; K171-Y498 HydrophobicContact CB-CE2 4.46Å; K171-Y498 WeakPolarHBondContact CB-OH 3.24Å
172	D	81.2	Confident	91.7	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.048	14%	0.135	C	C	.	.	S	Bend	trans	-146.5	-169.8	176.6	-157.2	-12.9	0	0	0	108.6	R174 Y175 Y498 D499	D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 3.17Å; D172-Y175 PolarHBondContact O-N 2.83Å; D172-Y498 HydrophobicContact CB-CD1 3.59Å; D172-Y498 HydrophobicContact CB-CE1 3.85Å; D172-Y498 HydrophobicContact CB-CG 4.17Å; D172-Y498 WeakPolarHBondContact OD2-CD1 3.47Å; D172-D499 PolarHBondContact OD2-N 3.21Å
173	F	75.1	Confident	91.6	Very high	18 Å²	18	29.8 Å²	29.8	8%	0.079	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	39.7	177.2	-55.1	-79.8	0	0	0	113.1	L170 Y175 Y259 M279 Q282 Y498 D499	L170-F173 HydrophobicContact CD1-CD2 4.12Å; L170-F173 HydrophobicContact CD2-CB 4.11Å; L170-F173 HydrophobicContact CD2-CD2 4.11Å; L170-F173 HydrophobicContact CG-CD2 4.29Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; F173-Y259 VanDerWaalsContact CA-OH 3.3Å; F173-Y259 WeakPolarHBondContact CA-OH 3.23Å; F173-Y259 HydrophobicContact CB-CE2 3.71Å; F173-Y259 HydrophobicContact CD1-CD1 4.11Å; F173-Y259 HydrophobicContact CD1-CD2 4.25Å; F173-Y259 AromaticContact CD1-CE1 3.71Å; F173-Y259 HydrophobicContact CD1-CE1 3.71Å; F173-Y259 AromaticContact CD1-CE2 3.86Å; F173-Y259 HydrophobicContact CD1-CE2 3.86Å; F173-Y259 HydrophobicContact CD1-CG 4.38Å; F173-Y259 AromaticContact CD1-CZ 3.58Å; F173-Y259 HydrophobicContact CE1-CE1 4.37Å; F173-Y259 HydrophobicContact CG-CE2 4.26Å; F173-M279 HydrophobicContact CB-CG 4.3Å; F173-M279 HydrophobicContact CD1-CE 3.47Å; F173-M279 VanDerWaalsContact CD1-CE 3.47Å; F173-M279 HydrophobicContact CD2-CE 4.33Å; F173-M279 HydrophobicContact CE1-CE 3.56Å; F173-M279 HydrophobicContact CE2-CE 4.4Å; F173-M279 HydrophobicContact CG-CE 3.87Å; F173-M279 HydrophobicContact CG-CG 4.47Å; F173-M279 HydrophobicContact CZ-CE 4.04Å; F173-Q282 PolarHBondContact O-NE2 2.85Å; F173-Q282 PolarHBondContact O-OE1 3.41Å; F173-Y498 VanDerWaalsContact CZ-C 3.42Å; F173-D499 HydrophobicContact CD1-CB 4.16Å; F173-D499 HydrophobicContact CE1-CB 3.55Å; F173-D499 HydrophobicContact CZ-CB 3.84Å; F173-D499 VanDerWaalsContact CZ-N 3.31Å
174	R	80.8	Confident	91.6	Very high	61 Å²	61	30 Å²	30	23%	0.23	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	16.9	-172.7	-46.4	-67	-176.5	-160.4	-8.7	115.7	D172 H215 F278 D314 D449	D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 3.17Å; R174-H215 PolarHBondContact O-NE2 2.98Å; R174-F278 HydrophobicContact CB-CE1 4.49Å; R174-F278 HydrophobicContact CB-CE2 4.44Å; R174-F278 HydrophobicContact CB-CZ 4.43Å; R174-F278 HydrophobicContact CG-CD1 3.94Å; R174-F278 HydrophobicContact CG-CE1 3.68Å; R174-F278 HydrophobicContact CG-CE2 4.41Å; R174-F278 HydrophobicContact CG-CG 4.42Å; R174-F278 HydrophobicContact CG-CZ 3.93Å; R174-D314 WeakPolarHBondContact CD-OD2 3.24Å; R174-D314 IonicContact NH1-OD1 3.48Å; R174-D449 IonicContact CZ-OD2 3.76Å; R174-D449 IonicContact NH1-OD2 2.82Å; R174-D449 PolarHBondContact NH1-OD2 3.13Å; R174-D449 IonicContact NH2-OD2 2.71Å
175	Y	83.2	Confident	91.6	Very high	30 Å²	30	34.9 Å²	34.9	12%	0.118	17%	0.174	C	C	.	.			trans	64.7	114.8	169.9	-57.2	-84.4	0	0	0	116.6	Y127 S164 L170 K171 D172 F173 V177 H215	Y127-Y175 WeakPolarHBondContact CE2-OH 3.33Å; S164-Y175 VanDerWaalsContact CB-CE2 3.49Å; L170-Y175 WeakPolarHBondContact O-CA 3.26Å; K171-Y175 WeakPolarHBondContact O-CE1 3.47Å; D172-Y175 PolarHBondContact O-N 2.83Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-V177 PolarHBondContact O-N 2.92Å; Y175-H215 PolarHBondContact O-NE2 2.87Å; Y175-H215 VanDerWaalsContact O-NE2 3.14Å
176	G	91.4	Very high	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	91.6	168.9	0	0	0	0	0	111.8	S168 S169 L170	S168-G176 WeakPolarHBondContact CA-O 3.34Å; S168-G176 WeakPolarHBondContact CB-O 3.49Å; S169-G176 PolarHBondContact N-O 2.87Å; L170-G176 PolarHBondContact O-N 2.69Å
177	V	96.9	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.4	-174.6	-177.7	0	0	0	0	112.6	Y166 Y175 F180 I212 S217	Y166-V177 HydrophobicContact CD2-CG2 4.28Å; Y166-V177 HydrophobicContact CG-CG1 4.31Å; Y175-V177 PolarHBondContact O-N 2.92Å; V177-F180 HydrophobicContact CB-CD1 4.22Å; V177-F180 HydrophobicContact CB-CE1 3.84Å; V177-F180 HydrophobicContact CB-CZ 4.08Å; V177-F180 HydrophobicContact CG1-CD1 3.66Å; V177-F180 HydrophobicContact CG1-CD2 4.34Å; V177-F180 HydrophobicContact CG1-CE1 3.82Å; V177-F180 HydrophobicContact CG1-CE2 4.49Å; V177-F180 HydrophobicContact CG1-CG 3.93Å; V177-F180 HydrophobicContact CG1-CZ 4.24Å; V177-F180 HydrophobicContact CG2-CD1 4.47Å; V177-F180 HydrophobicContact CG2-CE1 4.02Å; V177-I212 HydrophobicContact CG2-CD1 4.4Å; V177-S217 VanDerWaalsContact O-CB 3.29Å; V177-S217 WeakPolarHBondContact O-CB 3.33Å; V177-S217 PolarHBondContact O-N 2.92Å
178	E	97.4	Very high	91.6	Very high	44 Å²	44	33.6 Å²	33.6	21%	0.206	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-31.3	176.1	-68.9	-173.8	-164.1	0	0	113.7	K167 S169 K219 H220	K167-E178 HydrophobicContact CD-CB 4.47Å; K167-E178 VanDerWaalsContact CE-OE2 3.28Å; K167-E178 WeakPolarHBondContact CE-OE2 3.33Å; K167-E178 HydrophobicContact CG-CB 4.38Å; K167-E178 IonicContact NZ-OE2 2.76Å; K167-E178 PolarHBondContact NZ-OE2 2.88Å; K167-E178 PolarHBondContact O-N 2.91Å; S169-E178 WeakPolarHBondContact CB-OE1 3.42Å; S169-E178 WeakPolarHBondContact OG-CG 3.38Å; S169-E178 PolarHBondContact OG-OE1 2.98Å; E178-K219 HydrophobicContact CG-CB 4.18Å; E178-H220 VanDerWaalsContact C-CD2 3.4Å; E178-H220 PolarHBondContact O-CD2 2.8Å
179	D	97.7	Very high	91.8	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	111.6	178.5	-170.1	-28.9	0	0	0	110.3	K167 R181 Q182	K167-D179 HydrophobicContact CB-CB 4.37Å; K167-D179 HydrophobicContact CD-CB 4.33Å; K167-D179 PolarHBondContact O-N 2.82Å; D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 PolarHBondContact OD1-N 3.15Å; D179-Q182 HydrophobicContact CB-CB 4.12Å; D179-Q182 HydrophobicContact CB-CG 4.2Å; D179-Q182 PolarHBondContact O-N 3.25Å; D179-Q182 VanDerWaalsContact OD2-CG 3.32Å; D179-Q182 WeakPolarHBondContact OD2-CG 3.32Å
180	F	97.9	Very high	92.4	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-9.9	-178.6	-69.7	-77.4	0	0	0	114.7	V177 I212 T216 H220 W222 I299 W303	V177-F180 HydrophobicContact CB-CD1 4.22Å; V177-F180 HydrophobicContact CB-CE1 3.84Å; V177-F180 HydrophobicContact CB-CZ 4.08Å; V177-F180 HydrophobicContact CG1-CD1 3.66Å; V177-F180 HydrophobicContact CG1-CD2 4.34Å; V177-F180 HydrophobicContact CG1-CE1 3.82Å; V177-F180 HydrophobicContact CG1-CE2 4.49Å; V177-F180 HydrophobicContact CG1-CG 3.93Å; V177-F180 HydrophobicContact CG1-CZ 4.24Å; V177-F180 HydrophobicContact CG2-CD1 4.47Å; V177-F180 HydrophobicContact CG2-CE1 4.02Å; F180-I212 VanDerWaalsContact CE1-O 3.3Å; F180-I212 WeakPolarHBondContact CE1-O 3.4Å; F180-T216 HydrophobicContact CE2-CG2 3.67Å; F180-T216 HydrophobicContact CZ-CG2 4.09Å; F180-H220 AromaticContact CD2-NE2 3.95Å; F180-W222 HydrophobicContact CE2-CZ3 4.5Å; F180-I299 HydrophobicContact CB-CD1 3.68Å; F180-I299 HydrophobicContact CB-CG1 4.02Å; F180-I299 HydrophobicContact CB-CG2 3.69Å; F180-I299 HydrophobicContact CD2-CD1 3.64Å; F180-I299 HydrophobicContact CE2-CD1 4.41Å; F180-I299 HydrophobicContact CG-CD1 3.75Å; F180-I299 HydrophobicContact CG-CG2 4.41Å; F180-W303 WeakPolarHBondContact O-CZ2 3.18Å; F180-W303 PolarHBondContact O-NE1 3.28Å
181	R	98.5	Very high	93.2	Very high	93 Å²	93	41.4 Å²	41.4	35%	0.351	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	7.6	-178.1	-57	-175.1	-171.1	-170.4	1.3	112.5	D179 M190 F302	D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 PolarHBondContact OD1-N 3.15Å; R181-M190 WeakPolarHBondContact O-CE 3.46Å; R181-F302 HydrophobicContact CB-CD1 4.22Å; R181-F302 HydrophobicContact CB-CE1 3.94Å; R181-F302 HydrophobicContact CB-CE2 4.34Å; R181-F302 HydrophobicContact CB-CZ 3.99Å; R181-F302 HydrophobicContact CG-CD1 4.13Å; R181-F302 HydrophobicContact CG-CD2 4.48Å; R181-F302 HydrophobicContact CG-CE1 4.36Å; R181-F302 HydrophobicContact CG-CG 4.19Å
182	Q	98.2	Very high	94.2	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.6	-179.8	-66.1	-67.4	-18.4	0	0	111.3	Y166 K167 D179	Y166-Q182 WeakPolarHBondContact CA-O 3.43Å; K167-Q182 HydrophobicContact CB-CB 4.16Å; K167-Q182 PolarHBondContact N-O 2.98Å; D179-Q182 HydrophobicContact CB-CB 4.12Å; D179-Q182 HydrophobicContact CB-CG 4.2Å; D179-Q182 PolarHBondContact O-N 3.25Å; D179-Q182 VanDerWaalsContact OD2-CG 3.32Å; D179-Q182 WeakPolarHBondContact OD2-CG 3.32Å
183	V	98.2	Very high	95	Very high	12 Å²	12	41.2 Å²	41.2	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.5	170.3	179.5	0	0	0	0	108.6	L142 F165 F187 M190 F193 W303	L142-V183 HydrophobicContact CD1-CG1 4Å; F165-V183 HydrophobicContact CD2-CG1 4.2Å; F165-V183 HydrophobicContact CD2-CG2 4.07Å; F165-V183 HydrophobicContact CE2-CG2 4.09Å; V183-F187 HydrophobicContact CG1-CB 3.99Å; V183-M190 HydrophobicContact CG2-CE 4.18Å; V183-F193 HydrophobicContact CG2-CB 4.18Å; V183-W303 HydrophobicContact CG2-CH2 4.46Å
184	D	97.8	Very high	96.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	23%	0.227	C	C	.	.			trans	-65.6	136.3	172	-161.2	-72.6	0	0	0	110.1	F165 S168 K171 I186 F187	F165-D184 PolarHBondContact O-N 3.09Å; S168-D184 PolarHBondContact N-OD2 2.86Å; K171-D184 WeakPolarHBondContact CE-OD2 3.24Å; K171-D184 IonicContact NZ-OD1 3.32Å; K171-D184 PolarHBondContact NZ-OD1 3.04Å; K171-D184 IonicContact NZ-OD2 3.51Å; K171-D184 PolarHBondContact NZ-OD2 3.28Å; D184-I186 HydrophobicContact CB-CG1 4.4Å; D184-I186 PolarHBondContact O-N 2.99Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.44Å; D184-I186 PolarHBondContact OD1-N 3.28Å; D184-F187 HydrophobicContact CB-CD2 3.75Å; D184-F187 HydrophobicContact CB-CE2 4.08Å; D184-F187 PolarHBondContact O-N 3.22Å
185	S	97.1	Very high	97	Very high	105 Å²	105	44.8 Å²	44.8	73%	0.734	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.9	-173.9	50.7	0	0	0	0	114	F187 G188	S185-F187 PolarHBondContact O-N 2.76Å; S185-G188 PolarHBondContact O-N 3.19Å
186	I	96.6	Very high	97.8	Very high	30 Å²	30	43.4 Å²	43.4	15%	0.154	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.2	175.6	70.2	167.1	0	0	0	112.8	R129 K171 D184	R129-I186 HydrophobicContact CG-CD1 4.18Å; K171-I186 HydrophobicContact CD-CD1 4.05Å; K171-I186 VanDerWaalsContact CE-CD1 3.46Å; D184-I186 HydrophobicContact CB-CG1 4.4Å; D184-I186 PolarHBondContact O-N 2.99Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.44Å; D184-I186 PolarHBondContact OD1-N 3.28Å
187	F	98.3	Very high	98.1	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.057	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-10.6	-178.7	-58.5	-53.7	0	0	0	113.2	P128 R129 G140 L142 F165 V183 D184 S185	P128-F187 HydrophobicContact CB-CD1 4.14Å; P128-F187 HydrophobicContact CB-CE1 4.03Å; P128-F187 HydrophobicContact CG-CD1 4.39Å; P128-F187 HydrophobicContact CG-CE1 3.93Å; P128-F187 HydrophobicContact CG-CZ 4.06Å; R129-F187 HydrophobicContact CB-CE1 3.74Å; R129-F187 HydrophobicContact CB-CZ 4.2Å; R129-F187 HydrophobicContact CG-CE1 4.14Å; G140-F187 VanDerWaalsContact O-CD1 3.32Å; G140-F187 WeakPolarHBondContact O-CD1 3.4Å; L142-F187 HydrophobicContact CG-CB 4.19Å; L142-F187 WeakPolarHBondContact CG-O 3.45Å; L142-F187 PolarHBondContact N-O 2.65Å; F165-F187 HydrophobicContact CB-CD2 3.59Å; F165-F187 HydrophobicContact CB-CE2 3.95Å; F165-F187 HydrophobicContact CB-CG 4.2Å; V183-F187 HydrophobicContact CG1-CB 3.99Å; D184-F187 HydrophobicContact CB-CD2 3.75Å; D184-F187 HydrophobicContact CB-CE2 4.08Å; D184-F187 PolarHBondContact O-N 3.22Å; S185-F187 PolarHBondContact O-N 2.76Å
188	G	97.5	Very high	98.2	Very high	22 Å²	22	46 Å²	46	23%	0.227	25%	0.25	C	C	.	.			trans	117.9	-146.9	-177.6	0	0	0	0	0	112.7	S185	S185-G188 PolarHBondContact O-N 3.19Å
189	T	98.4	Very high	98.3	Very high	70 Å²	70	44.7 Å²	44.7	43%	0.429	25%	0.246	S	C	.	.			trans	-116.9	173.5	-174.9	67.5	0	0	0	0	112.2	E191 D192 F193	T189-E191 PolarHBondContact O-N 3.01Å; T189-E191 PolarHBondContact OG1-N 3.4Å; T189-D192 WeakPolarHBondContact CB-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.09Å; T189-D192 PolarHBondContact O-N 3Å; T189-D192 PolarHBondContact OG1-N 3.33Å; T189-D192 PolarHBondContact OG1-OD2 2.6Å; T189-F193 PolarHBondContact O-N 3.14Å
190	M	98.6	Very high	98.4	Very high	33 Å²	33	42 Å²	42	16%	0.163	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-30.9	170.6	-173.8	60.7	61.6	0	0	112.2	R181 V183 F193 E194 F302 W303 K306	R181-M190 WeakPolarHBondContact O-CE 3.46Å; V183-M190 HydrophobicContact CG2-CE 4.18Å; M190-F193 WeakPolarHBondContact O-CB 3.46Å; M190-F193 PolarHBondContact O-N 3.31Å; M190-F193 HydrophobicContact SD-CB 4.5Å; M190-F193 HydrophobicContact SD-CD1 4.1Å; M190-E194 WeakPolarHBondContact O-CG 3.38Å; M190-E194 PolarHBondContact O-N 3.07Å; M190-F302 HydrophobicContact CE-CE1 4.15Å; M190-F302 HydrophobicContact CE-CZ 3.93Å; M190-W303 HydrophobicContact CE-CH2 3.83Å; M190-W303 HydrophobicContact CE-CZ3 4.32Å; M190-W303 HydrophobicContact SD-CH2 4.43Å; M190-W303 HydrophobicContact SD-CZ3 4.35Å; M190-K306 HydrophobicContact SD-CD 4.25Å
191	E	98.8	Very high	98.4	Very high	130 Å²	130	44.6 Å²	44.6	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-66.6	-40.6	175.7	-176.5	179.1	177.7	0	0	110.9	T189 F193 E194 N195	T189-E191 PolarHBondContact O-N 3.01Å; T189-E191 PolarHBondContact OG1-N 3.4Å; E191-F193 VanDerWaalsContact C-N 3.28Å; E191-F193 PolarHBondContact O-N 3.39Å; E191-E194 PolarHBondContact O-N 2.71Å; E191-N195 WeakPolarHBondContact O-CB 3.29Å; E191-N195 VanDerWaalsContact O-CG 3.22Å; E191-N195 PolarHBondContact O-N 3.24Å; E191-N195 PolarHBondContact O-ND2 2.58Å
192	D	98.8	Very high	98.4	Very high	43 Å²	43	47.1 Å²	47.1	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-38.5	174.5	-62	-61.6	0	0	0	111.7	L142 T189 L196	L142-D192 HydrophobicContact CB-CB 4.39Å; T189-D192 WeakPolarHBondContact CB-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.09Å; T189-D192 PolarHBondContact O-N 3Å; T189-D192 PolarHBondContact OG1-N 3.33Å; T189-D192 PolarHBondContact OG1-OD2 2.6Å; D192-L196 WeakPolarHBondContact O-CB 3.45Å; D192-L196 PolarHBondContact O-N 2.93Å
193	F	98.9	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-48	173.6	176.6	-96.4	0	0	0	112.2	L142 F165 V183 T189 M190 E191 N195 L196 V197 L207 W303 K306 V308	L142-F193 HydrophobicContact CD1-CB 3.82Å; L142-F193 HydrophobicContact CD1-CD2 4.26Å; F165-F193 HydrophobicContact CE1-CE2 4.32Å; F165-F193 AromaticContact CE2-CD2 3.9Å; F165-F193 HydrophobicContact CE2-CD2 3.9Å; F165-F193 HydrophobicContact CE2-CE2 4.07Å; F165-F193 AromaticContact CZ-CD2 3.79Å; F165-F193 HydrophobicContact CZ-CD2 3.79Å; F165-F193 AromaticContact CZ-CE2 3.51Å; F165-F193 HydrophobicContact CZ-CE2 3.51Å; F165-F193 HydrophobicContact CZ-CZ 4.4Å; V183-F193 HydrophobicContact CG2-CB 4.18Å; T189-F193 PolarHBondContact O-N 3.14Å; M190-F193 WeakPolarHBondContact O-CB 3.46Å; M190-F193 PolarHBondContact O-N 3.31Å; M190-F193 HydrophobicContact SD-CB 4.5Å; M190-F193 HydrophobicContact SD-CD1 4.1Å; E191-F193 VanDerWaalsContact C-N 3.28Å; E191-F193 PolarHBondContact O-N 3.39Å; F193-N195 VanDerWaalsContact C-N 3.32Å; F193-N195 PolarHBondContact O-N 3.29Å; F193-L196 WeakPolarHBondContact O-CB 3.46Å; F193-L196 PolarHBondContact O-N 2.98Å; F193-L196 VanDerWaalsContact O-N 3.16Å; F193-V197 HydrophobicContact CD1-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 3.59Å; F193-V197 HydrophobicContact CE2-CG2 4.03Å; F193-V197 HydrophobicContact CZ-CG2 3.54Å; F193-V197 WeakPolarHBondContact O-CG2 3.44Å; F193-V197 PolarHBondContact O-N 2.94Å; F193-L207 HydrophobicContact CE2-CD2 4.02Å; F193-L207 HydrophobicContact CZ-CD2 4.24Å; F193-W303 HydrophobicContact CD1-CE3 4.48Å; F193-W303 AromaticContact CD1-CZ3 3.8Å; F193-W303 HydrophobicContact CD1-CZ3 3.8Å; F193-W303 HydrophobicContact CD2-CZ3 4.29Å; F193-W303 AromaticContact CE1-CE3 3.75Å; F193-W303 HydrophobicContact CE1-CE3 3.75Å; F193-W303 AromaticContact CE1-CZ3 3.5Å; F193-W303 HydrophobicContact CE1-CZ3 3.5Å; F193-W303 HydrophobicContact CE2-CE3 4.47Å; F193-W303 HydrophobicContact CE2-CZ3 4.03Å; F193-W303 HydrophobicContact CG-CZ3 4.19Å; F193-W303 AromaticContact CZ-CE3 3.74Å; F193-W303 HydrophobicContact CZ-CE3 3.74Å; F193-W303 AromaticContact CZ-CZ3 3.62Å; F193-W303 HydrophobicContact CZ-CZ3 3.62Å; F193-K306 HydrophobicContact CE1-CB 3.93Å; F193-V308 HydrophobicContact CE1-CG2 4.45Å; F193-V308 HydrophobicContact CZ-CG2 3.7Å
194	E	98.8	Very high	98.4	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-41.4	178.5	-71.7	170.4	168.3	0	0	111.8	M190 E191 L196 V197 A198 K306	M190-E194 WeakPolarHBondContact O-CG 3.38Å; M190-E194 PolarHBondContact O-N 3.07Å; E191-E194 PolarHBondContact O-N 2.71Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-V197 PolarHBondContact O-N 3.14Å; E194-A198 PolarHBondContact O-N 3.35Å; E194-K306 HydrophobicContact CG-CD 4.27Å; E194-K306 IonicContact OE1-NZ 2.79Å; E194-K306 PolarHBondContact OE1-NZ 3.22Å
195	N	98.8	Very high	98.5	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-39.8	174.3	-73.2	-30.8	0	0	0	112.2	E191 F193 A199	E191-N195 WeakPolarHBondContact O-CB 3.29Å; E191-N195 VanDerWaalsContact O-CG 3.22Å; E191-N195 PolarHBondContact O-N 3.24Å; E191-N195 PolarHBondContact O-ND2 2.58Å; F193-N195 VanDerWaalsContact C-N 3.32Å; F193-N195 PolarHBondContact O-N 3.29Å; N195-A199 WeakPolarHBondContact O-CB 3.38Å; N195-A199 PolarHBondContact O-N 3.42Å
196	L	98.9	Very high	98.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-46.7	175.7	176.3	61.9	0	0	0	111.4	L142 I145 Q146 L149 I162 D192 F193 E194 A198 A199 I200	L142-L196 HydrophobicContact CB-CD2 4.15Å; L142-L196 HydrophobicContact CD2-CD2 4.07Å; I145-L196 HydrophobicContact CB-CD1 4.34Å; I145-L196 HydrophobicContact CB-CD2 4.45Å; I145-L196 HydrophobicContact CG2-CD1 4.04Å; I145-L196 HydrophobicContact CG2-CD2 4.41Å; Q146-L196 HydrophobicContact CB-CD1 3.9Å; Q146-L196 HydrophobicContact CG-CD1 4.36Å; L149-L196 HydrophobicContact CD1-CD1 4.43Å; L149-L196 HydrophobicContact CD2-CD1 4.49Å; I162-L196 HydrophobicContact CD1-CD2 3.76Å; D192-L196 WeakPolarHBondContact O-CB 3.45Å; D192-L196 PolarHBondContact O-N 2.93Å; F193-L196 WeakPolarHBondContact O-CB 3.46Å; F193-L196 PolarHBondContact O-N 2.98Å; F193-L196 VanDerWaalsContact O-N 3.16Å; E194-L196 VanDerWaalsContact C-N 3.35Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.31Å; L196-A199 PolarHBondContact O-N 2.9Å; L196-I200 HydrophobicContact CD1-CD1 3.89Å; L196-I200 HydrophobicContact CD1-CG1 4.07Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 WeakPolarHBondContact O-CB 3.43Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.18Å; L196-I200 PolarHBondContact O-N 3.44Å
197	V	98.9	Very high	98.7	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-48.8	177.5	173	0	0	0	0	110.6	F193 E194 A199 I200 H201 L207	F193-V197 HydrophobicContact CD1-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 3.59Å; F193-V197 HydrophobicContact CE2-CG2 4.03Å; F193-V197 HydrophobicContact CZ-CG2 3.54Å; F193-V197 WeakPolarHBondContact O-CG2 3.44Å; F193-V197 PolarHBondContact O-N 2.94Å; E194-V197 PolarHBondContact O-N 3.14Å; V197-A199 PolarHBondContact O-N 2.9Å; V197-I200 PolarHBondContact O-N 2.61Å; V197-H201 PolarHBondContact O-N 2.9Å; V197-L207 HydrophobicContact CG2-CD2 3.78Å
198	A	98.9	Very high	98.7	Very high	48 Å²	48	42.7 Å²	42.7	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-58.4	-48.1	177.9	0	0	0	0	0	111.8	E194 L196 I200 H201 D202	E194-A198 PolarHBondContact O-N 3.35Å; L196-A198 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.31Å; A198-I200 PolarHBondContact O-N 3.13Å; A198-H201 PolarHBondContact O-N 3.24Å; A198-D202 PolarHBondContact O-N 3.32Å
199	A	98.9	Very high	98.8	Very high	16 Å²	16	41.7 Å²	41.7	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-32.8	-179.2	0	0	0	0	0	113.7	Q146 L149 N195 L196 V197 K203	Q146-A199 HydrophobicContact CG-CB 3.79Å; L149-A199 HydrophobicContact CD1-CB 3.73Å; N195-A199 WeakPolarHBondContact O-CB 3.38Å; N195-A199 PolarHBondContact O-N 3.42Å; L196-A199 PolarHBondContact O-N 2.9Å; V197-A199 PolarHBondContact O-N 2.9Å; A199-K203 PolarHBondContact O-N 3.18Å
200	I	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-49	171.6	-76.5	175	0	0	0	109.6	L149 L196 V197 A198 K203 G204 L205 L207	L149-I200 HydrophobicContact CD1-CG1 4.02Å; L149-I200 HydrophobicContact CD2-CD1 4.43Å; L149-I200 HydrophobicContact CD2-CG1 3.68Å; L196-I200 HydrophobicContact CD1-CD1 3.89Å; L196-I200 HydrophobicContact CD1-CG1 4.07Å; L196-I200 HydrophobicContact CG-CD1 3.9Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 WeakPolarHBondContact O-CB 3.43Å; L196-I200 VanDerWaalsContact O-CG1 3.31Å; L196-I200 WeakPolarHBondContact O-CG1 3.18Å; L196-I200 PolarHBondContact O-N 3.44Å; V197-I200 PolarHBondContact O-N 2.61Å; A198-I200 PolarHBondContact O-N 3.13Å; I200-K203 PolarHBondContact O-N 2.77Å; I200-G204 PolarHBondContact O-N 3.03Å; I200-L205 HydrophobicContact CG2-CB 3.63Å; I200-L205 WeakPolarHBondContact O-CB 3.43Å; I200-L205 PolarHBondContact O-N 3.47Å; I200-L205 VanDerWaalsContact O-N 3.14Å; I200-L207 HydrophobicContact CD1-CB 4.15Å; I200-L207 HydrophobicContact CD1-CD1 4.06Å; I200-L207 HydrophobicContact CD1-CD2 4.32Å; I200-L207 HydrophobicContact CD1-CG 4.4Å; I200-L207 HydrophobicContact CG2-CB 4.3Å
201	H	98.8	Very high	98.7	Very high	59 Å²	59	37.3 Å²	37.3	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-67.1	-37.4	-178.8	-68.5	169.6	0	0	0	112.9	V197 A198 K203 G204 G307 D309	V197-H201 PolarHBondContact O-N 2.9Å; A198-H201 PolarHBondContact O-N 3.24Å; H201-K203 PolarHBondContact O-N 3.1Å; H201-K203 VanDerWaalsContact O-N 3.16Å; H201-G204 PolarHBondContact O-N 3.47Å; H201-G307 PolarHBondContact CE1-O 3.48Å; H201-D309 IonicContact CD2-OD2 3.72Å; H201-D309 IonicContact CE1-OD2 2.58Å; H201-D309 IonicContact NE2-OD1 3.68Å; H201-D309 IonicContact NE2-OD2 2.61Å; H201-D309 PolarHBondContact NE2-OD2 2.93Å
202	D	98.8	Very high	98.6	Very high	146 Å²	146	31.2 Å²	31.2	78%	0.781	18%	0.176	S	C	*	.	H	α-helix	trans	-59.4	-25.9	174.9	-76.7	-17.7	0	0	0	112.8	A198	A198-D202 PolarHBondContact O-N 3.32Å
203	K	98.6	Very high	98.6	Very high	90 Å²	90	29.1 Å²	29.1	39%	0.391	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.5	175.7	-68.5	178.6	-175	-66.4	0	113.7	L149 D150 T153 A199 I200 H201 L205	L149-K203 HydrophobicContact CB-CD 3.66Å; L149-K203 HydrophobicContact CD1-CD 4.31Å; D150-K203 WeakPolarHBondContact OD1-CE 3.4Å; D150-K203 IonicContact OD1-NZ 2.82Å; D150-K203 PolarHBondContact OD1-NZ 3.42Å; T153-K203 HydrophobicContact CG2-CB 4.12Å; T153-K203 HydrophobicContact CG2-CD 4.11Å; A199-K203 PolarHBondContact O-N 3.18Å; I200-K203 PolarHBondContact O-N 2.77Å; H201-K203 PolarHBondContact O-N 3.1Å; H201-K203 VanDerWaalsContact O-N 3.16Å; K203-L205 HydrophobicContact CB-CD1 4.36Å; K203-L205 HydrophobicContact CB-CG 4.26Å; K203-L205 PolarHBondContact O-N 2.92Å
204	G	98.3	Very high	98.5	Very high	43 Å²	43	29.2 Å²	29.2	44%	0.443	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	14.3	-179.3	0	0	0	0	0	114.6	K158 I200 H201	K158-G204 PolarHBondContact NZ-O 2.9Å; I200-G204 PolarHBondContact O-N 3.03Å; H201-G204 PolarHBondContact O-N 3.47Å
205	L	98.8	Very high	98.5	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	15%	0.147	C	C	.	.			trans	-82.2	166.8	173.8	-61.5	175.9	0	0	0	110.5	L149 I152 T153 V157 K158 V160 I200 K203	L149-L205 HydrophobicContact CD2-CD1 4.28Å; I152-L205 HydrophobicContact CG2-CD1 4.21Å; T153-L205 HydrophobicContact CG2-CD1 3.97Å; T153-L205 HydrophobicContact CG2-CD2 4.3Å; T153-L205 HydrophobicContact CG2-CG 4.24Å; V157-L205 WeakPolarHBondContact O-CD2 3.22Å; K158-L205 WeakPolarHBondContact O-CA 3.31Å; V160-L205 HydrophobicContact CG2-CD1 4.41Å; I200-L205 HydrophobicContact CG2-CB 3.63Å; I200-L205 WeakPolarHBondContact O-CB 3.43Å; I200-L205 PolarHBondContact O-N 3.47Å; I200-L205 VanDerWaalsContact O-N 3.14Å; K203-L205 HydrophobicContact CB-CD1 4.36Å; K203-L205 HydrophobicContact CB-CG 4.26Å; K203-L205 PolarHBondContact O-N 2.92Å
206	K	98.9	Very high	98.5	Very high	28 Å²	28	21.9 Å²	21.9	12%	0.122	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.1	176.7	-66.4	-69.4	-173.1	-176.2	0	110.3	W117 K158 T159 V160 D309	W117-K206 HydrophobicContact CB-CG 4.47Å; W117-K206 HydrophobicContact CD2-CB 4.29Å; W117-K206 HydrophobicContact CD2-CD 4.09Å; W117-K206 HydrophobicContact CD2-CG 3.72Å; W117-K206 HydrophobicContact CE3-CB 3.68Å; W117-K206 HydrophobicContact CE3-CD 4.33Å; W117-K206 HydrophobicContact CE3-CG 3.53Å; W117-K206 HydrophobicContact CG-CD 4.37Å; W117-K206 HydrophobicContact CG-CG 4.13Å; W117-K206 HydrophobicContact CH2-CB 4.23Å; W117-K206 HydrophobicContact CZ3-CB 3.65Å; W117-K206 HydrophobicContact CZ3-CG 4.03Å; K158-K206 PolarHBondContact O-N 2.9Å; T159-K206 CarbonylContact C-O 3.54Å; T159-K206 WeakPolarHBondContact CA-O 3.49Å; T159-K206 HydrophobicContact CG2-CB 4.32Å; V160-K206 PolarHBondContact N-O 2.82Å; K206-D309 WeakPolarHBondContact CA-OD2 3.15Å; K206-D309 HydrophobicContact CB-CB 4.25Å; K206-D309 HydrophobicContact CD-CB 3.91Å; K206-D309 WeakPolarHBondContact CD-OD1 3.43Å; K206-D309 WeakPolarHBondContact CD-OD2 3.43Å; K206-D309 IonicContact NZ-OD1 2.78Å; K206-D309 PolarHBondContact NZ-OD1 3.09Å
207	L	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.1	178.1	177.8	65	0	0	0	111	V160 I162 F193 V197 I200 I209 D309 G310	V160-L207 HydrophobicContact CB-CD1 4.44Å; V160-L207 HydrophobicContact CG1-CD1 4.43Å; V160-L207 WeakPolarHBondContact O-CA 2.98Å; I162-L207 HydrophobicContact CB-CD1 4.43Å; I162-L207 HydrophobicContact CD1-CD1 3.61Å; I162-L207 HydrophobicContact CG1-CD1 3.68Å; F193-L207 HydrophobicContact CE2-CD2 4.02Å; F193-L207 HydrophobicContact CZ-CD2 4.24Å; V197-L207 HydrophobicContact CG2-CD2 3.78Å; I200-L207 HydrophobicContact CD1-CB 4.15Å; I200-L207 HydrophobicContact CD1-CD1 4.06Å; I200-L207 HydrophobicContact CD1-CD2 4.32Å; I200-L207 HydrophobicContact CD1-CG 4.4Å; I200-L207 HydrophobicContact CG2-CB 4.3Å; L207-I209 HydrophobicContact CD1-CG2 4.2Å; L207-I209 HydrophobicContact CD2-CG2 4.23Å; L207-I209 HydrophobicContact CG-CG2 4.04Å; L207-D309 PolarHBondContact N-OD2 3.03Å; L207-D309 WeakPolarHBondContact O-CA 2.84Å; L207-D309 WeakPolarHBondContact O-CB 3.49Å; L207-D309 PolarHBondContact O-N 2.9Å; L207-G310 PolarHBondContact O-N 3.39Å
208	I	98.9	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.4	163.7	71.5	173.7	0	0	0	110	W117 M123 T159 V160 W161 I162 G310 F380	W117-I208 HydrophobicContact CH2-CG2 3.92Å; W117-I208 HydrophobicContact CZ3-CG2 4.48Å; M123-I208 HydrophobicContact SD-CD1 4.02Å; T159-I208 HydrophobicContact CG2-CD1 4.37Å; T159-I208 HydrophobicContact CG2-CG1 4.11Å; T159-I208 HydrophobicContact CG2-CG2 3.9Å; V160-I208 PolarHBondContact O-N 3.13Å; W161-I208 WeakPolarHBondContact CA-O 3.43Å; W161-I208 HydrophobicContact CB-CD1 3.81Å; W161-I208 HydrophobicContact CB-CG1 3.52Å; W161-I208 HydrophobicContact CD2-CD1 4.12Å; W161-I208 HydrophobicContact CG-CD1 3.79Å; W161-I208 HydrophobicContact CG-CG1 3.7Å; I162-I208 PolarHBondContact N-O 3.02Å; I208-G310 VanDerWaalsContact CA-O 3.28Å; I208-G310 WeakPolarHBondContact CA-O 3.36Å; I208-F380 HydrophobicContact CD1-CD1 4.16Å; I208-F380 HydrophobicContact CD1-CE1 4Å; I208-F380 HydrophobicContact CG2-CB 4.45Å; I208-F380 HydrophobicContact CG2-CD1 3.94Å
209	I	98.8	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.3	-179.8	69.3	177.3	0	0	0	110.9	I162 F165 Y166 L207 W303 V308 G310 F311 S312	I162-I209 WeakPolarHBondContact O-CA 3.48Å; F165-I209 HydrophobicContact CE1-CB 4.02Å; F165-I209 HydrophobicContact CE1-CD1 4.43Å; F165-I209 HydrophobicContact CE1-CG2 3.7Å; F165-I209 HydrophobicContact CZ-CD1 4.1Å; F165-I209 HydrophobicContact CZ-CG2 4.12Å; Y166-I209 WeakPolarHBondContact OH-CD1 3.23Å; L207-I209 HydrophobicContact CD1-CG2 4.2Å; L207-I209 HydrophobicContact CD2-CG2 4.23Å; L207-I209 HydrophobicContact CG-CG2 4.04Å; I209-W303 HydrophobicContact CD1-CB 4.32Å; I209-W303 HydrophobicContact CD1-CD2 4.02Å; I209-W303 HydrophobicContact CD1-CE3 4.14Å; I209-W303 HydrophobicContact CD1-CG 4.09Å; I209-V308 HydrophobicContact CD1-CG1 4.3Å; I209-V308 HydrophobicContact CD1-CG2 3.99Å; I209-V308 HydrophobicContact CG1-CG1 4.04Å; I209-G310 PolarHBondContact N-O 2.8Å; I209-F311 HydrophobicContact CD1-CD1 4.28Å; I209-F311 HydrophobicContact CD1-CE1 3.92Å; I209-F311 HydrophobicContact CG1-CD1 3.68Å; I209-F311 HydrophobicContact CG1-CE1 3.82Å; I209-F311 CarbonylContact O-C 3.53Å; I209-F311 VanDerWaalsContact O-CA 3.26Å; I209-F311 WeakPolarHBondContact O-CA 3.31Å; I209-S312 PolarHBondContact O-N 3.12Å
210	D	98.3	Very high	98.3	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.064	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	146.9	171.1	-70.6	-6.6	0	0	0	111.2	W161 I162 T163 S164 Y166 I212 S312	W161-D210 PolarHBondContact NE1-OD1 3.44Å; I162-D210 PolarHBondContact O-N 3.46Å; T163-D210 WeakPolarHBondContact CA-OD2 3.05Å; T163-D210 VanDerWaalsContact CB-OD2 3.27Å; T163-D210 WeakPolarHBondContact CB-OD2 3.31Å; S164-D210 PolarHBondContact N-OD2 3.26Å; Y166-D210 VanDerWaalsContact CE2-O 3.29Å; Y166-D210 WeakPolarHBondContact CE2-O 3.44Å; Y166-D210 PolarHBondContact OH-O 3Å; D210-I212 HydrophobicContact CB-CD1 4.36Å; D210-S312 CarbonylContact C-O 3.57Å; D210-S312 WeakPolarHBondContact CA-O 3.28Å
211	F	98.1	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.4	171.3	-170.7	-111.8	0	0	0	109.7	P213 I296 I299 L300 F311 S312 F313 D314	F211-P213 HydrophobicContact CD1-CB 4.23Å; F211-P213 HydrophobicContact CD1-CG 4.41Å; F211-P213 HydrophobicContact CE1-CB 3.91Å; F211-P213 WeakPolarHBondContact O-CD 3.41Å; F211-I296 HydrophobicContact CE1-CG2 3.77Å; F211-I296 HydrophobicContact CZ-CG2 3.81Å; F211-I299 HydrophobicContact CE2-CB 4.24Å; F211-I299 HydrophobicContact CE2-CG2 3.62Å; F211-I299 HydrophobicContact CZ-CB 4.45Å; F211-I299 HydrophobicContact CZ-CG2 4.3Å; F211-L300 HydrophobicContact CD1-CD2 3.89Å; F211-L300 HydrophobicContact CD2-CD2 4.13Å; F211-L300 HydrophobicContact CE1-CD2 3.77Å; F211-L300 HydrophobicContact CE1-CG 4.07Å; F211-L300 HydrophobicContact CE2-CD2 4.07Å; F211-L300 HydrophobicContact CE2-CG 4.47Å; F211-L300 HydrophobicContact CG-CD2 4.04Å; F211-L300 HydrophobicContact CZ-CD2 3.87Å; F211-L300 HydrophobicContact CZ-CG 3.96Å; F211-F311 HydrophobicContact CB-CB 4.18Å; F211-F311 HydrophobicContact CB-CD1 4.03Å; F211-F311 HydrophobicContact CB-CG 4.39Å; F211-S312 PolarHBondContact N-O 2.93Å; F211-F313 AromaticContact CD1-CD1 3.58Å; F211-F313 HydrophobicContact CD1-CD1 3.58Å; F211-F313 AromaticContact CD1-CE1 3.34Å; F211-F313 HydrophobicContact CD1-CE1 3.34Å; F211-F313 HydrophobicContact CD1-CG 4.45Å; F211-F313 HydrophobicContact CD1-CZ 4.06Å; F211-F313 HydrophobicContact CE1-CD1 4.31Å; F211-F313 AromaticContact CE1-CE1 3.79Å; F211-F313 HydrophobicContact CE1-CE1 3.79Å; F211-F313 HydrophobicContact CG-CE1 4.35Å; F211-D314 PolarHBondContact O-N 2.88Å
212	I	96.4	Very high	98.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.158	C	C	.	.			trans	-112.3	85.9	-173.9	-53.8	89.6	0	0	0	108.3	Y166 V177 F180 D210	Y166-I212 HydrophobicContact CD2-CD1 3.86Å; Y166-I212 HydrophobicContact CE2-CD1 3.69Å; V177-I212 HydrophobicContact CG2-CD1 4.4Å; F180-I212 VanDerWaalsContact CE1-O 3.3Å; F180-I212 WeakPolarHBondContact CE1-O 3.4Å; D210-I212 HydrophobicContact CB-CD1 4.36Å
213	P	97.2	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.			trans	-77.3	-26.9	-176.8	29.8	-36.4	0	0	0	113.4	F211 H215 F287 I296 F313 L319 F364	F211-P213 HydrophobicContact CD1-CB 4.23Å; F211-P213 HydrophobicContact CD1-CG 4.41Å; F211-P213 HydrophobicContact CE1-CB 3.91Å; F211-P213 WeakPolarHBondContact O-CD 3.41Å; P213-H215 PolarHBondContact O-N 3.02Å; P213-F287 HydrophobicContact CB-CZ 3.96Å; P213-F287 WeakPolarHBondContact O-CE2 3.41Å; P213-F287 WeakPolarHBondContact O-CZ 3.43Å; P213-I296 HydrophobicContact CB-CG2 4.5Å; P213-F313 HydrophobicContact CG-CD1 4.32Å; P213-L319 HydrophobicContact CB-CD2 4.02Å; P213-L319 HydrophobicContact CG-CD2 3.96Å; P213-F364 HydrophobicContact CB-CE2 4.39Å; P213-F364 HydrophobicContact CB-CZ 4.4Å
214	N	98.2	Very high	98.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	12%	0.118	C	C	.	.	S	Bend	trans	-65.7	-43.5	-163.4	-166.7	74.4	0	0	0	114.7	D284 L285 A315 F318 L319	N214-D284 PolarHBondContact ND2-OD1 2.94Å; N214-L285 PolarHBondContact O-N 2.87Å; N214-A315 HydrophobicContact CB-CB 4.37Å; N214-F318 WeakPolarHBondContact OD1-CB 3.47Å; N214-F318 PolarHBondContact OD1-O 2.81Å; N214-L319 PolarHBondContact OD1-N 3.15Å
215	H	98.4	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-145.7	168.4	-168.9	55.9	-94.8	0	0	0	111.6	R174 Y175 P213 F278 Q282 P283 D284	R174-H215 PolarHBondContact O-NE2 2.98Å; Y175-H215 PolarHBondContact O-NE2 2.87Å; Y175-H215 VanDerWaalsContact O-NE2 3.14Å; P213-H215 PolarHBondContact O-N 3.02Å; H215-F278 AromaticContact CE1-CD2 3.35Å; H215-F278 WeakPolarHBondContact CE1-CD2 3.37Å; H215-F278 AromaticContact CE1-CE2 3.57Å; H215-F278 AromaticContact ND1-CD2 3.43Å; H215-F278 WeakPolarHBondContact ND1-CD2 3.26Å; H215-F278 AromaticContact ND1-CE2 3.62Å; H215-Q282 HydrophobicContact CB-CB 4.44Å; H215-Q282 PolarHBondContact NE2-NE2 2.98Å; H215-P283 WeakPolarHBondContact CB-O 3.37Å; H215-D284 WeakPolarHBondContact CB-OD1 3.37Å
216	T	98.5	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.			trans	-122.7	175.5	169.4	75.2	0	0	0	0	109.8	F180 H220 W222 Y237 Q282 P283 L285	F180-T216 HydrophobicContact CE2-CG2 3.67Å; F180-T216 HydrophobicContact CZ-CG2 4.09Å; T216-H220 HydrophobicContact CG2-CB 4.47Å; T216-H220 WeakPolarHBondContact OG1-CB 3.39Å; T216-W222 HydrophobicContact CG2-CE3 4.2Å; T216-W222 HydrophobicContact CG2-CZ3 4.44Å; T216-Y237 WeakPolarHBondContact OG1-CE1 3.24Å; T216-Y237 PolarHBondContact OG1-OH 2.86Å; T216-Q282 WeakPolarHBondContact O-CA 3.46Å; T216-P283 PolarHBondContact N-O 2.88Å; T216-P283 VanDerWaalsContact O-CD 3.24Å; T216-P283 WeakPolarHBondContact O-CD 3.47Å; T216-L285 HydrophobicContact CG2-CD1 3.91Å; T216-L285 HydrophobicContact CG2-CD2 3.96Å; T216-L285 HydrophobicContact CG2-CG 4Å
217	S	98.1	Very high	98.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	11%	0.114	C	C	.	.			trans	-64.5	149.2	160.9	176.4	0	0	0	0	110.8	S169 V177 K219 H220 E281	S169-S217 PolarHBondContact OG-OG 3.41Å; V177-S217 VanDerWaalsContact O-CB 3.29Å; V177-S217 WeakPolarHBondContact O-CB 3.33Å; V177-S217 PolarHBondContact O-N 2.92Å; S217-K219 PolarHBondContact O-N 2.84Å; S217-K219 PolarHBondContact OG-N 3.49Å; S217-H220 WeakPolarHBondContact O-CB 3.2Å; S217-H220 PolarHBondContact O-N 3Å; S217-E281 CarbonylContact C-O 3.52Å; S217-E281 WeakPolarHBondContact CA-O 3.39Å
218	D	97.6	Very high	98.3	Very high	40 Å²	40	27 Å²	27	21%	0.214	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.9	165.5	66.9	-14.4	0	0	0	112.6	H220 F223 Q224 E281 P283	D218-H220 VanDerWaalsContact C-N 3.34Å; D218-F223 HydrophobicContact CB-CD1 4.09Å; D218-F223 HydrophobicContact CB-CE1 4.1Å; D218-F223 WeakPolarHBondContact O-CD1 3.25Å; D218-Q224 PolarHBondContact O-NE2 3.28Å; D218-E281 PolarHBondContact N-O 2.9Å; D218-P283 HydrophobicContact CB-CG 4.33Å
219	K	97.9	Very high	98.2	Very high	125 Å²	125	33.2 Å²	33.2	54%	0.543	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.6	172.1	-60.2	-178.8	-163.6	160.6	0	113.7	S169 E178 S217	S169-K219 WeakPolarHBondContact OG-CD 3.42Å; E178-K219 HydrophobicContact CG-CB 4.18Å; S217-K219 PolarHBondContact O-N 2.84Å; S217-K219 PolarHBondContact OG-N 3.49Å
220	H	98.5	Very high	98.2	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	18%	0.177	C	C	.	.	S	Bend	trans	-61.2	141.6	176.9	-166.4	-87.8	0	0	0	110.6	E178 F180 T216 S217 D218 W222 F223 Q224	E178-H220 VanDerWaalsContact C-CD2 3.4Å; E178-H220 PolarHBondContact O-CD2 2.8Å; F180-H220 AromaticContact CD2-NE2 3.95Å; T216-H220 HydrophobicContact CG2-CB 4.47Å; T216-H220 WeakPolarHBondContact OG1-CB 3.39Å; S217-H220 WeakPolarHBondContact O-CB 3.2Å; S217-H220 PolarHBondContact O-N 3Å; D218-H220 VanDerWaalsContact C-N 3.34Å; H220-W222 AromaticContact CE1-CD1 3.71Å; H220-W222 AromaticContact CE1-CD2 3.19Å; H220-W222 AromaticContact CE1-CE2 3.52Å; H220-W222 AromaticContact CE1-CE3 3.56Å; H220-W222 AromaticContact CE1-CG 3.36Å; H220-W222 AromaticContact CE1-NE1 3.79Å; H220-W222 WeakPolarHBondContact ND1-CB 3.41Å; H220-W222 AromaticContact ND1-CD1 3.92Å; H220-W222 AromaticContact ND1-CD2 3.53Å; H220-W222 AromaticContact ND1-CE3 3.83Å; H220-W222 AromaticContact ND1-CG 3.32Å; H220-W222 VanDerWaalsContact ND1-CG 3.32Å; H220-W222 PolarHBondContact ND1-N 2.94Å; H220-W222 VanDerWaalsContact ND1-N 3.14Å; H220-W222 PolarHBondContact O-N 3Å; H220-W222 VanDerWaalsContact O-N 3.15Å; H220-F223 PolarHBondContact O-N 2.84Å; H220-Q224 PolarHBondContact O-N 2.99Å; H220-Q224 VanDerWaalsContact O-N 3.15Å
221	T	98.4	Very high	98.2	Very high	92 Å²	92	38.5 Å²	38.5	56%	0.564	20%	0.203	S	C	*	.	H	α-helix	trans	-55.8	-38	-177.8	-61.8	0	0	0	0	111.6	F223 Q224 L225	T221-F223 PolarHBondContact O-N 2.91Å; T221-Q224 PolarHBondContact O-N 3.12Å; T221-L225 HydrophobicContact CG2-CD1 3.79Å; T221-L225 HydrophobicContact CG2-CG 4.27Å; T221-L225 WeakPolarHBondContact O-CB 3.22Å; T221-L225 VanDerWaalsContact O-CG 3.27Å; T221-L225 WeakPolarHBondContact O-CG 3.38Å; T221-L225 PolarHBondContact O-N 3.29Å
222	W	98.7	Very high	98.2	Very high	24 Å²	24	43.1 Å²	43.1	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-43.2	176.5	-58.2	-15.9	0	0	0	112.6	F180 T216 H220 L225 S226 Y233 Y236 Y237 L285 E295 I299	F180-W222 HydrophobicContact CE2-CZ3 4.5Å; T216-W222 HydrophobicContact CG2-CE3 4.2Å; T216-W222 HydrophobicContact CG2-CZ3 4.44Å; H220-W222 AromaticContact CE1-CD1 3.71Å; H220-W222 AromaticContact CE1-CD2 3.19Å; H220-W222 AromaticContact CE1-CE2 3.52Å; H220-W222 AromaticContact CE1-CE3 3.56Å; H220-W222 AromaticContact CE1-CG 3.36Å; H220-W222 AromaticContact CE1-NE1 3.79Å; H220-W222 WeakPolarHBondContact ND1-CB 3.41Å; H220-W222 AromaticContact ND1-CD1 3.92Å; H220-W222 AromaticContact ND1-CD2 3.53Å; H220-W222 AromaticContact ND1-CE3 3.83Å; H220-W222 AromaticContact ND1-CG 3.32Å; H220-W222 VanDerWaalsContact ND1-CG 3.32Å; H220-W222 PolarHBondContact ND1-N 2.94Å; H220-W222 VanDerWaalsContact ND1-N 3.14Å; H220-W222 PolarHBondContact O-N 3Å; H220-W222 VanDerWaalsContact O-N 3.15Å; W222-L225 PolarHBondContact O-N 3.46Å; W222-S226 WeakPolarHBondContact O-CB 3.39Å; W222-S226 PolarHBondContact O-N 3.26Å; W222-Y233 HydrophobicContact CB-CD1 4.17Å; W222-Y233 AromaticContact CD1-CD1 3.83Å; W222-Y233 AromaticContact CD1-CE1 3.36Å; W222-Y233 HydrophobicContact CG-CD1 4.12Å; W222-Y233 HydrophobicContact CG-CE1 4.05Å; W222-Y233 AromaticContact NE1-CE1 3.83Å; W222-Y236 HydrophobicContact CB-CD1 3.95Å; W222-Y236 AromaticContact CD2-CD1 3.83Å; W222-Y236 HydrophobicContact CD2-CD1 3.83Å; W222-Y236 AromaticContact CD2-CE1 3.85Å; W222-Y236 HydrophobicContact CD2-CE1 3.85Å; W222-Y236 HydrophobicContact CE3-CD1 4.01Å; W222-Y236 HydrophobicContact CE3-CE1 4.25Å; W222-Y236 AromaticContact CG-CD1 3.84Å; W222-Y236 HydrophobicContact CG-CD1 3.84Å; W222-Y236 HydrophobicContact CG-CE1 4.03Å; W222-Y237 HydrophobicContact CB-CE2 3.93Å; W222-L285 HydrophobicContact CE3-CD2 3.98Å; W222-L285 HydrophobicContact CZ3-CD1 4.22Å; W222-L285 HydrophobicContact CZ3-CD2 4.27Å; W222-E295 HydrophobicContact CH2-CB 3.59Å; W222-E295 HydrophobicContact CH2-CG 4.34Å; W222-E295 HydrophobicContact CZ2-CB 3.72Å; W222-E295 HydrophobicContact CZ2-CG 4.04Å; W222-E295 HydrophobicContact CZ3-CB 4.48Å; W222-I299 HydrophobicContact CH2-CD1 3.93Å
223	F	98.7	Very high	98.3	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-42.1	179.2	-171.5	-100.5	0	0	0	111.3	D218 H220 T221 L225 S226 R227 Y237 W239 Y274 P283	D218-F223 HydrophobicContact CB-CD1 4.09Å; D218-F223 HydrophobicContact CB-CE1 4.1Å; D218-F223 WeakPolarHBondContact O-CD1 3.25Å; H220-F223 PolarHBondContact O-N 2.84Å; T221-F223 PolarHBondContact O-N 2.91Å; F223-L225 VanDerWaalsContact C-N 3.31Å; F223-L225 PolarHBondContact O-N 2.96Å; F223-S226 WeakPolarHBondContact O-CB 3.42Å; F223-S226 PolarHBondContact O-N 3.18Å; F223-S226 VanDerWaalsContact O-N 3.1Å; F223-R227 PolarHBondContact O-N 3.19Å; F223-Y237 HydrophobicContact CB-CE1 4.31Å; F223-Y237 HydrophobicContact CB-CE2 3.84Å; F223-Y237 AromaticContact CD2-CD1 3.9Å; F223-Y237 HydrophobicContact CD2-CD1 3.9Å; F223-Y237 AromaticContact CD2-CD2 3.97Å; F223-Y237 HydrophobicContact CD2-CD2 3.97Å; F223-Y237 AromaticContact CD2-CE1 3.92Å; F223-Y237 HydrophobicContact CD2-CE1 3.92Å; F223-Y237 HydrophobicContact CD2-CE2 4.03Å; F223-Y237 AromaticContact CD2-CG 3.91Å; F223-Y237 HydrophobicContact CD2-CG 3.91Å; F223-Y237 AromaticContact CD2-CZ 3.99Å; F223-Y237 HydrophobicContact CG-CE2 4.44Å; F223-Y237 PolarHBondContact N-OH 2.87Å; F223-W239 HydrophobicContact CD2-CZ2 4.42Å; F223-W239 HydrophobicContact CE2-CH2 4Å; F223-W239 AromaticContact CE2-CZ2 3.69Å; F223-W239 HydrophobicContact CE2-CZ2 3.69Å; F223-W239 AromaticContact CZ-CH2 3.85Å; F223-W239 HydrophobicContact CZ-CH2 3.85Å; F223-W239 AromaticContact CZ-CZ2 3.97Å; F223-W239 HydrophobicContact CZ-CZ2 3.97Å; F223-Y274 HydrophobicContact CE2-CD1 4.28Å; F223-Y274 HydrophobicContact CE2-CD2 4.25Å; F223-Y274 HydrophobicContact CE2-CG 4.1Å; F223-Y274 AromaticContact CZ-CD1 3.88Å; F223-Y274 HydrophobicContact CZ-CD1 3.88Å; F223-Y274 HydrophobicContact CZ-CD2 4.42Å; F223-Y274 AromaticContact CZ-CE1 3.85Å; F223-Y274 HydrophobicContact CZ-CE1 3.85Å; F223-Y274 HydrophobicContact CZ-CE2 4.4Å; F223-Y274 HydrophobicContact CZ-CG 4.15Å; F223-P283 HydrophobicContact CD2-CB 3.67Å; F223-P283 HydrophobicContact CD2-CG 3.46Å; F223-P283 VanDerWaalsContact CD2-CG 3.46Å; F223-P283 HydrophobicContact CE2-CB 3.51Å; F223-P283 HydrophobicContact CE2-CG 3.7Å; F223-P283 HydrophobicContact CG-CG 3.97Å; F223-P283 HydrophobicContact CZ-CB 4.36Å; F223-P283 HydrophobicContact CZ-CG 4.38Å
224	Q	98.6	Very high	98.4	Very high	66 Å²	66	47 Å²	47	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-39.5	177.1	-63.3	-60.4	-43.8	0	0	112.4	D218 H220 T221 R227 T228	D218-Q224 PolarHBondContact O-NE2 3.28Å; H220-Q224 PolarHBondContact O-N 2.99Å; H220-Q224 VanDerWaalsContact O-N 3.15Å; T221-Q224 PolarHBondContact O-N 3.12Å; Q224-R227 WeakPolarHBondContact O-CG 3.29Å; Q224-T228 PolarHBondContact O-OG1 2.91Å; Q224-T228 VanDerWaalsContact O-OG1 3.1Å
225	L	98.8	Very high	98.4	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-74.9	-33.9	173.9	-65.5	174.4	0	0	0	112.1	T221 W222 F223 T228 R229 T230 Y233	T221-L225 HydrophobicContact CG2-CD1 3.79Å; T221-L225 HydrophobicContact CG2-CG 4.27Å; T221-L225 WeakPolarHBondContact O-CB 3.22Å; T221-L225 VanDerWaalsContact O-CG 3.27Å; T221-L225 WeakPolarHBondContact O-CG 3.38Å; T221-L225 PolarHBondContact O-N 3.29Å; W222-L225 PolarHBondContact O-N 3.46Å; F223-L225 VanDerWaalsContact C-N 3.31Å; F223-L225 PolarHBondContact O-N 2.96Å; L225-T228 PolarHBondContact O-OG1 3.05Å; L225-T228 VanDerWaalsContact O-OG1 3.05Å; L225-R229 PolarHBondContact O-N 2.85Å; L225-T230 HydrophobicContact CD2-CG2 3.96Å; L225-T230 WeakPolarHBondContact O-CB 3.26Å; L225-T230 PolarHBondContact O-N 3.25Å; L225-Y233 HydrophobicContact CB-CD2 3.73Å; L225-Y233 HydrophobicContact CB-CG 3.8Å; L225-Y233 HydrophobicContact CD1-CD2 3.51Å; L225-Y233 HydrophobicContact CD1-CE2 3.45Å; L225-Y233 VanDerWaalsContact CD1-CE2 3.45Å; L225-Y233 HydrophobicContact CD1-CG 4.1Å; L225-Y233 HydrophobicContact CG-CD2 4.23Å
226	S	98.8	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-50.7	177.9	-167.5	0	0	0	0	111.6	W222 F223 T228 R229 Y233 T234 W239 R270	W222-S226 WeakPolarHBondContact O-CB 3.39Å; W222-S226 PolarHBondContact O-N 3.26Å; F223-S226 WeakPolarHBondContact O-CB 3.42Å; F223-S226 PolarHBondContact O-N 3.18Å; F223-S226 VanDerWaalsContact O-N 3.1Å; S226-T228 PolarHBondContact O-N 3.37Å; S226-T228 VanDerWaalsContact O-N 3.09Å; S226-R229 PolarHBondContact O-N 2.56Å; S226-Y233 VanDerWaalsContact CA-O 3.29Å; S226-Y233 WeakPolarHBondContact CA-O 3.16Å; S226-Y233 WeakPolarHBondContact CB-O 3.48Å; S226-Y233 PolarHBondContact OG-O 2.87Å; S226-T234 PolarHBondContact OG-O 3.12Å; S226-W239 PolarHBondContact OG-NE1 3.26Å; S226-R270 PolarHBondContact O-NH1 2.66Å
227	R	98.4	Very high	98.4	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-22.8	-178.7	71.7	-179.7	-174.7	156	-0.4	113.8	F223 Q224 W239 D267 V269 R270	F223-R227 PolarHBondContact O-N 3.19Å; Q224-R227 WeakPolarHBondContact O-CG 3.29Å; R227-W239 HydrophobicContact CB-CH2 4.06Å; R227-W239 HydrophobicContact CB-CZ2 3.97Å; R227-D267 IonicContact NH1-OD2 2.76Å; R227-V269 HydrophobicContact CG-CG1 4.49Å; R227-R270 HydrophobicContact CB-CB 4.32Å; R227-R270 WeakPolarHBondContact O-CA 3.47Å; R227-R270 WeakPolarHBondContact O-CB 3.36Å; R227-R270 WeakPolarHBondContact O-CD 3.37Å
228	T	98.6	Very high	98.4	Very high	72 Å²	72	52.8 Å²	52.8	44%	0.442	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2	175.3	55	0	0	0	0	114.3	Q224 L225 S226 T230 V269	Q224-T228 PolarHBondContact O-OG1 2.91Å; Q224-T228 VanDerWaalsContact O-OG1 3.1Å; L225-T228 PolarHBondContact O-OG1 3.05Å; L225-T228 VanDerWaalsContact O-OG1 3.05Å; S226-T228 PolarHBondContact O-N 3.37Å; S226-T228 VanDerWaalsContact O-N 3.09Å; T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 2.77Å; T228-T230 PolarHBondContact OG1-OG1 3.34Å; T228-V269 HydrophobicContact CG2-CG1 4.08Å
229	R	98.3	Very high	98.5	Very high	130 Å²	130	52 Å²	52	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	35.3	-177.6	-32	-152.2	171	-137	-4.5	113.5	L225 S226 G231 T234 R270	L225-R229 PolarHBondContact O-N 2.85Å; S226-R229 PolarHBondContact O-N 2.56Å; R229-G231 PolarHBondContact O-N 2.95Å; R229-T234 HydrophobicContact CB-CG2 4.36Å; R229-T234 PolarHBondContact O-OG1 2.71Å; R229-R270 VanDerWaalsContact CG-NH1 3.32Å; R229-R270 PolarHBondContact NH2-O 3.3Å
230	T	98.6	Very high	98.5	Very high	64 Å²	64	49.3 Å²	49.3	39%	0.393	26%	0.255	S	S	.	.			trans	-83.1	106	-175.6	-58.8	0	0	0	0	111.3	L225 T228 Y233	L225-T230 HydrophobicContact CD2-CG2 3.96Å; L225-T230 WeakPolarHBondContact O-CB 3.26Å; L225-T230 PolarHBondContact O-N 3.25Å; T228-T230 VanDerWaalsContact C-N 3.31Å; T228-T230 PolarHBondContact O-N 2.77Å; T228-T230 PolarHBondContact OG1-OG1 3.34Å; T230-Y233 WeakPolarHBondContact O-CD2 3.07Å; T230-Y233 PolarHBondContact O-N 3.26Å
231	G	97.8	Very high	98.5	Very high	60 Å²	60	54.7 Å²	54.7	62%	0.619	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	59.2	-139.4	171.6	0	0	0	0	0	113.9	R229 Y233 T234	R229-G231 PolarHBondContact O-N 2.95Å; G231-Y233 PolarHBondContact O-N 3.46Å; G231-T234 PolarHBondContact O-N 3.06Å; G231-T234 PolarHBondContact O-OG1 3.28Å
232	K	97.9	Very high	98.4	Very high	96 Å²	96	51.5 Å²	51.5	42%	0.417	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64	-20.2	-179	67.5	170.1	-174.1	158.4	0	114.2	T234 Y236 E295	K232-T234 PolarHBondContact O-N 2.76Å; K232-Y236 HydrophobicContact CD-CE2 4.35Å; K232-Y236 WeakPolarHBondContact CE-OH 3.5Å; K232-Y236 HydrophobicContact CG-CE2 4.21Å; K232-Y236 PolarHBondContact NZ-OH 2.83Å; K232-Y236 WeakPolarHBondContact O-CD2 3.35Å; K232-E295 IonicContact NZ-OE1 3.55Å; K232-E295 PolarHBondContact NZ-OE1 3.25Å
233	Y	98.6	Very high	98.2	Very high	53 Å²	53	54.1 Å²	54.1	21%	0.208	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71.3	-11.2	-178.4	-57.5	-73.2	0	0	0	113.5	W222 L225 S226 T230 G231 D235 Y236	W222-Y233 HydrophobicContact CB-CD1 4.17Å; W222-Y233 AromaticContact CD1-CD1 3.83Å; W222-Y233 AromaticContact CD1-CE1 3.36Å; W222-Y233 HydrophobicContact CG-CD1 4.12Å; W222-Y233 HydrophobicContact CG-CE1 4.05Å; W222-Y233 AromaticContact NE1-CE1 3.83Å; L225-Y233 HydrophobicContact CB-CD2 3.73Å; L225-Y233 HydrophobicContact CB-CG 3.8Å; L225-Y233 HydrophobicContact CD1-CD2 3.51Å; L225-Y233 HydrophobicContact CD1-CE2 3.45Å; L225-Y233 VanDerWaalsContact CD1-CE2 3.45Å; L225-Y233 HydrophobicContact CD1-CG 4.1Å; L225-Y233 HydrophobicContact CG-CD2 4.23Å; S226-Y233 VanDerWaalsContact CA-O 3.29Å; S226-Y233 WeakPolarHBondContact CA-O 3.16Å; S226-Y233 WeakPolarHBondContact CB-O 3.48Å; S226-Y233 PolarHBondContact OG-O 2.87Å; T230-Y233 WeakPolarHBondContact O-CD2 3.07Å; T230-Y233 PolarHBondContact O-N 3.26Å; G231-Y233 PolarHBondContact O-N 3.46Å; Y233-D235 PolarHBondContact O-N 3.08Å; Y233-D235 VanDerWaalsContact O-N 3.12Å; Y233-Y236 AromaticContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD2 4.23Å; Y233-Y236 AromaticContact CD1-CE1 3.58Å; Y233-Y236 HydrophobicContact CD1-CE1 3.58Å; Y233-Y236 HydrophobicContact CD1-CE2 4.14Å; Y233-Y236 HydrophobicContact CD1-CG 4Å; Y233-Y236 AromaticContact CD1-CZ 3.82Å; Y233-Y236 HydrophobicContact CE1-CD1 4.21Å; Y233-Y236 AromaticContact CE1-CE1 3.67Å; Y233-Y236 HydrophobicContact CE1-CE1 3.67Å; Y233-Y236 AromaticContact CE1-CZ 3.87Å; Y233-Y236 PolarHBondContact O-N 3.3Å; Y233-Y236 VanDerWaalsContact O-N 3.17Å
234	T	98.6	Very high	97.9	Very high	30 Å²	30	57.2 Å²	57.2	18%	0.184	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-51.3	-37.3	179.7	-58.5	0	0	0	0	112.9	S226 R229 G231 K232	S226-T234 PolarHBondContact OG-O 3.12Å; R229-T234 HydrophobicContact CB-CG2 4.36Å; R229-T234 PolarHBondContact O-OG1 2.71Å; G231-T234 PolarHBondContact O-N 3.06Å; G231-T234 PolarHBondContact O-OG1 3.28Å; K232-T234 PolarHBondContact O-N 2.76Å
235	D	98.3	Very high	97.6	Very high	95 Å²	95	60.5 Å²	60.5	51%	0.508	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-115.4	22.1	-175.4	-55.3	-47.3	0	0	0	112.6	Y233 Y237 N286 N289	Y233-D235 PolarHBondContact O-N 3.08Å; Y233-D235 VanDerWaalsContact O-N 3.12Å; D235-Y237 VanDerWaalsContact C-N 3.29Å; D235-N286 PolarHBondContact O-ND2 3.48Å; D235-N286 VanDerWaalsContact O-ND2 3.1Å; D235-N289 PolarHBondContact O-ND2 3.4Å
236	Y	98.8	Very high	97.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-73.4	-21.7	175	-92.9	-136.5	0	0	0	112.9	W222 K232 Y233 N286 D291 V292 E295	W222-Y236 HydrophobicContact CB-CD1 3.95Å; W222-Y236 AromaticContact CD2-CD1 3.83Å; W222-Y236 HydrophobicContact CD2-CD1 3.83Å; W222-Y236 AromaticContact CD2-CE1 3.85Å; W222-Y236 HydrophobicContact CD2-CE1 3.85Å; W222-Y236 HydrophobicContact CE3-CD1 4.01Å; W222-Y236 HydrophobicContact CE3-CE1 4.25Å; W222-Y236 AromaticContact CG-CD1 3.84Å; W222-Y236 HydrophobicContact CG-CD1 3.84Å; W222-Y236 HydrophobicContact CG-CE1 4.03Å; K232-Y236 HydrophobicContact CD-CE2 4.35Å; K232-Y236 WeakPolarHBondContact CE-OH 3.5Å; K232-Y236 HydrophobicContact CG-CE2 4.21Å; K232-Y236 PolarHBondContact NZ-OH 2.83Å; K232-Y236 WeakPolarHBondContact O-CD2 3.35Å; Y233-Y236 AromaticContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD2 4.23Å; Y233-Y236 AromaticContact CD1-CE1 3.58Å; Y233-Y236 HydrophobicContact CD1-CE1 3.58Å; Y233-Y236 HydrophobicContact CD1-CE2 4.14Å; Y233-Y236 HydrophobicContact CD1-CG 4Å; Y233-Y236 AromaticContact CD1-CZ 3.82Å; Y233-Y236 HydrophobicContact CE1-CD1 4.21Å; Y233-Y236 AromaticContact CE1-CE1 3.67Å; Y233-Y236 HydrophobicContact CE1-CE1 3.67Å; Y233-Y236 AromaticContact CE1-CZ 3.87Å; Y233-Y236 PolarHBondContact O-N 3.3Å; Y233-Y236 VanDerWaalsContact O-N 3.17Å; Y236-N286 PolarHBondContact O-N 3.35Å; Y236-D291 HydrophobicContact CE2-CB 3.78Å; Y236-V292 HydrophobicContact CD1-CG2 4.13Å; Y236-V292 HydrophobicContact CD2-CG2 3.96Å; Y236-V292 HydrophobicContact CE2-CG2 4.4Å; Y236-V292 HydrophobicContact CG-CG2 3.83Å; Y236-E295 HydrophobicContact CE1-CG 4Å; Y236-E295 VanDerWaalsContact OH-CG 3.31Å; Y236-E295 WeakPolarHBondContact OH-CG 3.2Å; Y236-E295 PolarHBondContact OH-OE1 3.31Å
237	Y	98.9	Very high	96.7	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.016	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-125.6	164.5	177.6	-59.5	-96	0	0	0	109.5	T216 W222 F223 D235 W239 P283 D284 L285	T216-Y237 WeakPolarHBondContact OG1-CE1 3.24Å; T216-Y237 PolarHBondContact OG1-OH 2.86Å; W222-Y237 HydrophobicContact CB-CE2 3.93Å; F223-Y237 HydrophobicContact CB-CE1 4.31Å; F223-Y237 HydrophobicContact CB-CE2 3.84Å; F223-Y237 AromaticContact CD2-CD1 3.9Å; F223-Y237 HydrophobicContact CD2-CD1 3.9Å; F223-Y237 AromaticContact CD2-CD2 3.97Å; F223-Y237 HydrophobicContact CD2-CD2 3.97Å; F223-Y237 AromaticContact CD2-CE1 3.92Å; F223-Y237 HydrophobicContact CD2-CE1 3.92Å; F223-Y237 HydrophobicContact CD2-CE2 4.03Å; F223-Y237 AromaticContact CD2-CG 3.91Å; F223-Y237 HydrophobicContact CD2-CG 3.91Å; F223-Y237 AromaticContact CD2-CZ 3.99Å; F223-Y237 HydrophobicContact CG-CE2 4.44Å; F223-Y237 PolarHBondContact N-OH 2.87Å; D235-Y237 VanDerWaalsContact C-N 3.29Å; Y237-W239 PolarHBondContact O-N 3.41Å; Y237-P283 HydrophobicContact CD1-CB 3.68Å; Y237-P283 HydrophobicContact CD1-CG 4.09Å; Y237-P283 HydrophobicContact CE1-CB 3.92Å; Y237-P283 HydrophobicContact CE1-CG 3.79Å; Y237-P283 WeakPolarHBondContact CE1-O 3.18Å; Y237-D284 VanDerWaalsContact CD1-O 3.26Å; Y237-D284 WeakPolarHBondContact CD1-O 3.36Å; Y237-L285 HydrophobicContact CD1-CD2 4.34Å; Y237-L285 HydrophobicContact CE1-CD2 3.85Å; Y237-L285 HydrophobicContact CE1-CG 4.5Å; Y237-L285 HydrophobicContact CE2-CD2 4.4Å
238	I	98.8	Very high	96.3	Very high	26 Å²	26	70.7 Å²	70.7	13%	0.133	39%	0.393	C	S	.	.			trans	-87.7	109.3	-178.2	-58.4	169.2	0	0	0	109	W264 Y274 F275 N286 E321	I238-W264 HydrophobicContact CG2-CH2 4.02Å; I238-W264 HydrophobicContact CG2-CZ3 4.32Å; I238-Y274 VanDerWaalsContact O-CA 3.25Å; I238-Y274 WeakPolarHBondContact O-CA 3.35Å; I238-F275 HydrophobicContact CB-CB 3.98Å; I238-F275 HydrophobicContact CD1-CD1 4.07Å; I238-F275 HydrophobicContact CG2-CB 4.04Å; I238-F275 PolarHBondContact O-N 3.01Å; I238-F275 VanDerWaalsContact O-N 3.13Å; I238-N286 HydrophobicContact CG1-CB 3.99Å; I238-E321 VanDerWaalsContact CD1-OE2 3.23Å; I238-E321 WeakPolarHBondContact CD1-OE2 3.45Å
239	W	98.8	Very high	96.2	Very high	23 Å²	23	69.4 Å²	69.4	9%	0.087	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.9	-179.3	-68.3	99.6	0	0	0	111.5	F223 S226 R227 Y237 D267 R270 Q272 C273 Y274	F223-W239 HydrophobicContact CD2-CZ2 4.42Å; F223-W239 HydrophobicContact CE2-CH2 4Å; F223-W239 AromaticContact CE2-CZ2 3.69Å; F223-W239 HydrophobicContact CE2-CZ2 3.69Å; F223-W239 AromaticContact CZ-CH2 3.85Å; F223-W239 HydrophobicContact CZ-CH2 3.85Å; F223-W239 AromaticContact CZ-CZ2 3.97Å; F223-W239 HydrophobicContact CZ-CZ2 3.97Å; S226-W239 PolarHBondContact OG-NE1 3.26Å; R227-W239 HydrophobicContact CB-CH2 4.06Å; R227-W239 HydrophobicContact CB-CZ2 3.97Å; Y237-W239 PolarHBondContact O-N 3.41Å; W239-D267 HydrophobicContact CH2-CB 3.71Å; W239-D267 HydrophobicContact CZ3-CB 3.66Å; W239-R270 HydrophobicContact CD2-CG 3.97Å; W239-R270 HydrophobicContact CE3-CB 4.25Å; W239-R270 HydrophobicContact CE3-CG 3.68Å; W239-R270 HydrophobicContact CH2-CB 3.94Å; W239-R270 HydrophobicContact CH2-CG 4.08Å; W239-R270 HydrophobicContact CZ2-CG 4.34Å; W239-R270 HydrophobicContact CZ3-CB 3.78Å; W239-R270 HydrophobicContact CZ3-CG 3.74Å; W239-Q272 HydrophobicContact CE3-CB 3.86Å; W239-Q272 HydrophobicContact CZ3-CB 4.46Å; W239-C273 CarbonylContact C-O 3.57Å; W239-C273 WeakPolarHBondContact CA-O 3.34Å; W239-Y274 AromaticContact CH2-CD1 3.81Å; W239-Y274 HydrophobicContact CH2-CD1 3.81Å; W239-Y274 HydrophobicContact CH2-CG 4.23Å; W239-Y274 AromaticContact CZ3-CD1 3.75Å; W239-Y274 HydrophobicContact CZ3-CD1 3.75Å; W239-Y274 HydrophobicContact CZ3-CG 4.18Å
240	H	98.5	Very high	96.1	Very high	68 Å²	68	67.6 Å²	67.6	32%	0.315	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.9	174.8	-78.8	-80.8	0	0	0	112	P252 W264 Q272 C273 L325	H240-P252 HydrophobicContact CB-CG 3.89Å; H240-W264 HydrophobicContact CB-CH2 4.21Å; H240-W264 HydrophobicContact CB-CZ3 3.92Å; H240-W264 AromaticContact CD2-CH2 3.46Å; H240-W264 VanDerWaalsContact CD2-CH2 3.46Å; H240-W264 WeakPolarHBondContact CD2-CH2 3.48Å; H240-W264 AromaticContact CD2-CZ3 3.76Å; H240-Q272 WeakPolarHBondContact O-CB 3.47Å; H240-C273 PolarHBondContact N-O 3.14Å; H240-C273 PolarHBondContact O-N 3.29Å; H240-L325 VanDerWaalsContact CE1-CD1 3.41Å; H240-L325 WeakPolarHBondContact CE1-CD1 3.28Å; H240-L325 WeakPolarHBondContact ND1-CD1 3.32Å
241	D	97.9	Very high	96	Very high	124 Å²	124	66.7 Å²	66.7	66%	0.663	38%	0.384	S	S	*	.			trans	-67.7	140.5	173.5	-61.7	-29.2	0	0	0	110	Q272	D241-Q272 PolarHBondContact OD1-NE2 3.42Å
242	C	95.7	Very high	96	Very high	26 Å²	26	66 Å²	66	18%	0.176	37%	0.368	C	S	.	.			trans	-146.6	157.7	176.7	59	0	0	0	0	109.2	T249 V250 C273	C242-T249 HydrophobicContact CB-CG2 4.31Å; C242-V250 WeakPolarHBondContact CB-O 3.38Å; C242-C273 HydrophobicContact CB-CB 3.81Å; C242-C273 WeakPolarHBondContact CB-SG 3.42Å; C242-C273 WeakPolarHBondContact SG-CB 3.38Å; C242-C273 PolarHBondContact SG-N 2.92Å; C242-C273 CovalentContact SG-SG 2.03Å; C242-C273 PolarHBondContact SG-SG 3.06Å
243	T	94.8	Very high	96	Very high	79 Å²	79	61.7 Å²	61.7	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.9	177.6	-54.5	0	0	0	0	108.8	E245 T249 V250	T243-E245 HydrophobicContact CG2-CG 4.15Å; T243-T249 WeakPolarHBondContact O-CA 3.33Å; T243-V250 PolarHBondContact O-N 3.35Å
244	H	93.4	Very high	96	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.315	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.9	174.6	-175.1	78.7	0	0	0	109.9	T248 T249 F266	H244-T248 WeakPolarHBondContact CA-O 3.31Å; H244-T249 PolarHBondContact ND1-OG1 2.96Å; H244-F266 HydrophobicContact CB-CD1 3.93Å; H244-F266 HydrophobicContact CB-CD2 3.75Å; H244-F266 HydrophobicContact CB-CE1 3.96Å; H244-F266 HydrophobicContact CB-CE2 3.78Å; H244-F266 HydrophobicContact CB-CG 3.82Å; H244-F266 HydrophobicContact CB-CZ 3.89Å; H244-F266 AromaticContact CD2-CD1 3.67Å; H244-F266 AromaticContact CD2-CE1 3.56Å; H244-F266 AromaticContact CG-CD1 3.54Å; H244-F266 AromaticContact CG-CE1 3.74Å; H244-F266 AromaticContact CG-CG 3.81Å; H244-F266 AromaticContact ND1-CD1 3.88Å
245	E	92.2	Very high	96	Very high	136 Å²	136	60 Å²	60	64%	0.636	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.3	179.4	-68.7	-173.3	-179.3	0	0	110.3	T243 G247 T248	T243-E245 HydrophobicContact CG2-CG 4.15Å; E245-G247 PolarHBondContact O-N 3.34Å; E245-G247 VanDerWaalsContact O-N 3.14Å; E245-T248 PolarHBondContact N-O 2.86Å; E245-T248 PolarHBondContact O-N 2.74Å
246	N	89.5	Confident	96	Very high	169 Å²	169	56.1 Å²	56.1	90%	0.904	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	36	178.9	-58.9	-28.9	0	0	0	114.2	T248	N246-T248 PolarHBondContact O-N 2.98Å
247	G	88.4	Confident	95.9	Very high	65 Å²	65	56.3 Å²	56.3	67%	0.67	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	5.2	-179.6	0	0	0	0	0	114.8	E245	E245-G247 PolarHBondContact O-N 3.34Å; E245-G247 VanDerWaalsContact O-N 3.14Å
248	T	90.9	Very high	95.7	Very high	97 Å²	97	58.2 Å²	58.2	60%	0.595	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	130	177.2	-52.9	0	0	0	0	109.8	H244 E245 N246	H244-T248 WeakPolarHBondContact CA-O 3.31Å; E245-T248 PolarHBondContact N-O 2.86Å; E245-T248 PolarHBondContact O-N 2.74Å; N246-T248 PolarHBondContact O-N 2.98Å
249	T	95.3	Very high	95.4	Very high	45 Å²	45	60.6 Å²	60.6	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.1	176.2	-54.2	0	0	0	0	109.8	C242 T243 H244 P251 F266 C273	C242-T249 HydrophobicContact CB-CG2 4.31Å; T243-T249 WeakPolarHBondContact O-CA 3.33Å; H244-T249 PolarHBondContact ND1-OG1 2.96Å; T249-P251 WeakPolarHBondContact O-CD 3.12Å; T249-F266 HydrophobicContact CG2-CB 4.18Å; T249-C273 WeakPolarHBondContact CG2-SG 3.32Å
250	V	96	Very high	95.1	Very high	92 Å²	92	59.9 Å²	59.9	56%	0.558	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	107.8	164.7	-177.8	0	0	0	0	107.4	C242 T243	C242-V250 WeakPolarHBondContact CB-O 3.38Å; T243-V250 PolarHBondContact O-N 3.35Å
251	P	97.1	Very high	95	Very high	45 Å²	45	61.9 Å²	61.9	29%	0.292	36%	0.355	S	S	.	.			trans	-70.8	162.7	-176.5	31.3	-36.3	0	0	0	111.6	T249 N253 W264	T249-P251 WeakPolarHBondContact O-CD 3.12Å; P251-N253 WeakPolarHBondContact CG-O 3.49Å; P251-N253 PolarHBondContact O-N 3.12Å; P251-W264 HydrophobicContact CB-CB 3.95Å; P251-W264 HydrophobicContact CB-CG 4.16Å
252	P	97.4	Very high	95	Very high	44 Å²	44	58 Å²	58	29%	0.286	34%	0.338	S	S	.	.	S	Bend	trans	-60.5	-28.5	177.3	-24.4	34.6	0	0	0	114.8	H240 W264	H240-P252 HydrophobicContact CB-CG 3.89Å; P252-W264 HydrophobicContact CB-CZ2 4.43Å; P252-W264 HydrophobicContact CG-CD2 3.82Å; P252-W264 HydrophobicContact CG-CE3 3.97Å; P252-W264 HydrophobicContact CG-CG 4.29Å; P252-W264 HydrophobicContact CG-CH2 4.43Å; P252-W264 HydrophobicContact CG-CZ2 4.28Å; P252-W264 HydrophobicContact CG-CZ3 4.28Å
253	N	98.3	Very high	95.1	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	33%	0.329	C	S	.	.	S	Bend	trans	-158.1	-179.7	-179.5	59.5	28.8	0	0	0	110.8	P251 W255 W264 L325 D327	P251-N253 WeakPolarHBondContact CG-O 3.49Å; P251-N253 PolarHBondContact O-N 3.12Å; N253-W255 VanDerWaalsContact C-N 3.3Å; N253-W255 PolarHBondContact O-N 3.26Å; N253-W255 WeakPolarHBondContact OD1-CB 3.27Å; N253-W255 PolarHBondContact OD1-N 3.19Å; N253-W264 PolarHBondContact OD1-NE1 2.75Å; N253-L325 PolarHBondContact ND2-O 3.5Å; N253-D327 WeakPolarHBondContact CA-OD1 3.47Å; N253-D327 VanDerWaalsContact CB-OD1 3.29Å; N253-D327 WeakPolarHBondContact CB-OD1 3.24Å
254	N	98	Very high	95.2	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.23	31%	0.308	C	S	.	.			trans	-83.1	14.7	-177.5	77.8	-17.8	0	0	0	115.8	L256 D327 E328 L346	N254-L256 PolarHBondContact O-N 3.14Å; N254-D327 HydrophobicContact CB-CB 4.42Å; N254-D327 PolarHBondContact N-OD1 2.97Å; N254-D327 WeakPolarHBondContact OD1-CA 3.38Å; N254-D327 WeakPolarHBondContact OD1-CB 3.34Å; N254-E328 PolarHBondContact ND2-O 2.97Å; N254-E328 VanDerWaalsContact ND2-O 3.08Å; N254-E328 PolarHBondContact OD1-N 3.49Å; N254-L346 WeakPolarHBondContact O-CD1 2.98Å
255	W	98.6	Very high	95.5	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.019	31%	0.308	C	S	.	.			trans	-66.7	135.5	-174.4	-65.2	-2.5	0	0	0	112.2	N253 S263 W264 F275 E321 A322 L325 R326 E328 F350 T351	N253-W255 VanDerWaalsContact C-N 3.3Å; N253-W255 PolarHBondContact O-N 3.26Å; N253-W255 WeakPolarHBondContact OD1-CB 3.27Å; N253-W255 PolarHBondContact OD1-N 3.19Å; W255-S263 WeakPolarHBondContact CB-OG 3.3Å; W255-S263 PolarHBondContact O-N 3.29Å; W255-S263 PolarHBondContact O-OG 3.16Å; W255-W264 HydrophobicContact CE3-CZ2 4.09Å; W255-W264 HydrophobicContact CZ3-CZ2 4.16Å; W255-F275 HydrophobicContact CE3-CD2 4.07Å; W255-F275 AromaticContact CE3-CE2 3.57Å; W255-F275 HydrophobicContact CE3-CE2 3.57Å; W255-F275 HydrophobicContact CE3-CZ 4.2Å; W255-F275 HydrophobicContact CZ3-CD2 4.47Å; W255-F275 HydrophobicContact CZ3-CE2 4.14Å; W255-F275 HydrophobicContact CZ3-CZ 4.49Å; W255-E321 HydrophobicContact CH2-CB 3.75Å; W255-E321 HydrophobicContact CZ3-CB 3.77Å; W255-E321 HydrophobicContact CZ3-CG 4.1Å; W255-A322 WeakPolarHBondContact CH2-O 3.44Å; W255-L325 HydrophobicContact CH2-CD2 3.56Å; W255-L325 HydrophobicContact CZ2-CD2 4.29Å; W255-L325 HydrophobicContact CZ3-CD2 3.82Å; W255-R326 PolarHBondContact NE1-O 2.98Å; W255-E328 HydrophobicContact CG-CG 4.47Å; W255-F350 HydrophobicContact CZ2-CB 3.93Å; W255-T351 HydrophobicContact CB-CG2 4.41Å; W255-T351 HydrophobicContact CD2-CG2 3.45Å; W255-T351 VanDerWaalsContact CD2-CG2 3.45Å; W255-T351 HydrophobicContact CE3-CG2 3.65Å; W255-T351 HydrophobicContact CG-CG2 3.84Å; W255-T351 HydrophobicContact CH2-CG2 4.29Å; W255-T351 HydrophobicContact CZ2-CG2 4.17Å; W255-T351 HydrophobicContact CZ3-CG2 4.06Å
256	L	98.4	Very high	95.8	Very high	13 Å²	13	48 Å²	48	7%	0.068	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-108.8	146.8	-178.3	-63.7	178.2	0	0	0	112.2	N254 N261 V340 Q342 L346	N254-L256 PolarHBondContact O-N 3.14Å; L256-N261 CarbonylContact C-O 3.57Å; L256-N261 VanDerWaalsContact CA-O 3.24Å; L256-N261 WeakPolarHBondContact CA-O 3.26Å; L256-N261 VanDerWaalsContact CD2-C 3.49Å; L256-N261 VanDerWaalsContact CD2-O 3.26Å; L256-N261 WeakPolarHBondContact CD2-O 3.46Å; L256-V340 HydrophobicContact CD1-CG1 4.06Å; L256-Q342 VanDerWaalsContact CD1-O 3.25Å; L256-Q342 WeakPolarHBondContact CD1-O 3.28Å; L256-L346 HydrophobicContact CB-CD1 4.24Å; L256-L346 HydrophobicContact CD1-CD1 3.75Å; L256-L346 HydrophobicContact CD1-CG 4.16Å; L256-L346 HydrophobicContact CG-CD1 3.69Å
257	S	97.6	Very high	96.2	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.028	24%	0.243	C	C	.	.			trans	-73.9	155.4	171.3	91.6	0	0	0	0	111.2	Y259 G260 N261 Q277 F278 Y343	S257-Y259 PolarHBondContact O-N 3.45Å; S257-Y259 PolarHBondContact OG-N 3.42Å; S257-G260 WeakPolarHBondContact O-CA 3.4Å; S257-G260 PolarHBondContact O-N 3.03Å; S257-G260 PolarHBondContact OG-N 3.23Å; S257-G260 PolarHBondContact OG-O 3.14Å; S257-N261 PolarHBondContact N-O 3.07Å; S257-Q277 CarbonylContact C-O 3.57Å; S257-Q277 WeakPolarHBondContact CA-O 3.35Å; S257-Q277 WeakPolarHBondContact CB-O 3.28Å; S257-F278 VanDerWaalsContact CB-O 3.27Å; S257-F278 WeakPolarHBondContact CB-O 3.31Å; S257-F278 PolarHBondContact OG-O 3.37Å; S257-Y343 WeakPolarHBondContact O-CD2 3.41Å
258	V	95.1	Very high	96.6	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.261	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.4	178.1	172.7	0	0	0	0	111.8	G260 Q277 F278 F318 Y343	V258-G260 VanDerWaalsContact C-N 3.3Å; V258-Q277 PolarHBondContact N-O 2.92Å; V258-F278 HydrophobicContact CB-CD1 4.08Å; V258-F278 HydrophobicContact CB-CE1 4.34Å; V258-F278 HydrophobicContact CG1-CD1 4.5Å; V258-F278 HydrophobicContact CG2-CD1 4.16Å; V258-F278 HydrophobicContact CG2-CE1 4.04Å; V258-F318 HydrophobicContact CG2-CE1 4.11Å; V258-F318 HydrophobicContact CG2-CZ 3.9Å; V258-Y343 HydrophobicContact CG2-CD2 4.36Å; V258-Y343 HydrophobicContact CG2-CE1 4.42Å; V258-Y343 HydrophobicContact CG2-CE2 3.91Å
259	Y	92.5	Very high	97	Very high	77 Å²	77	44.9 Å²	44.9	30%	0.302	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.6	178.3	-60.9	-63.8	0	0	0	113.4	F173 S257 F278 M279	F173-Y259 VanDerWaalsContact CA-OH 3.3Å; F173-Y259 WeakPolarHBondContact CA-OH 3.23Å; F173-Y259 HydrophobicContact CB-CE2 3.71Å; F173-Y259 HydrophobicContact CD1-CD1 4.11Å; F173-Y259 HydrophobicContact CD1-CD2 4.25Å; F173-Y259 AromaticContact CD1-CE1 3.71Å; F173-Y259 HydrophobicContact CD1-CE1 3.71Å; F173-Y259 AromaticContact CD1-CE2 3.86Å; F173-Y259 HydrophobicContact CD1-CE2 3.86Å; F173-Y259 HydrophobicContact CD1-CG 4.38Å; F173-Y259 AromaticContact CD1-CZ 3.58Å; F173-Y259 HydrophobicContact CE1-CE1 4.37Å; F173-Y259 HydrophobicContact CG-CE2 4.26Å; S257-Y259 PolarHBondContact O-N 3.45Å; S257-Y259 PolarHBondContact OG-N 3.42Å; Y259-F278 HydrophobicContact CD2-CB 4.25Å; Y259-F278 HydrophobicContact CE2-CB 3.99Å; Y259-F278 AromaticContact CE2-CD1 3.9Å; Y259-F278 HydrophobicContact CE2-CD1 3.9Å; Y259-F278 HydrophobicContact CE2-CG 4.4Å; Y259-M279 HydrophobicContact CD1-CE 4.35Å; Y259-M279 HydrophobicContact CD2-CE 3.62Å; Y259-M279 HydrophobicContact CD2-CG 4.1Å; Y259-M279 HydrophobicContact CD2-SD 3.97Å; Y259-M279 HydrophobicContact CE2-CE 4.34Å; Y259-M279 HydrophobicContact CG-CE 3.64Å; Y259-M279 HydrophobicContact CG-SD 4.3Å
260	G	91.8	Very high	97.1	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	23%	0.233	C	C	.	.	S	Bend	trans	96.4	165.6	176.9	0	0	0	0	0	114.3	S257 V258 T341	S257-G260 WeakPolarHBondContact O-CA 3.4Å; S257-G260 PolarHBondContact O-N 3.03Å; S257-G260 PolarHBondContact OG-N 3.23Å; S257-G260 PolarHBondContact OG-O 3.14Å; V258-G260 VanDerWaalsContact C-N 3.3Å; G260-T341 WeakPolarHBondContact CA-O 3.5Å
261	N	95.4	Very high	97.2	Very high	110 Å²	110	44.4 Å²	44.4	59%	0.588	24%	0.236	S	C	*	.	S	Bend	trans	65.8	-179	-170.7	-48.3	-70.2	0	0	0	113.9	L256 S257 T341	L256-N261 CarbonylContact C-O 3.57Å; L256-N261 VanDerWaalsContact CA-O 3.24Å; L256-N261 WeakPolarHBondContact CA-O 3.26Å; L256-N261 VanDerWaalsContact CD2-C 3.49Å; L256-N261 VanDerWaalsContact CD2-O 3.26Å; L256-N261 WeakPolarHBondContact CD2-O 3.46Å; S257-N261 PolarHBondContact N-O 3.07Å; N261-T341 PolarHBondContact N-O 2.73Å
262	S	97.6	Very high	97.2	Very high	42 Å²	42	43.2 Å²	43.2	29%	0.294	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-53	137.3	178.3	175.8	0	0	0	0	112.1	W264 H276	S262-W264 PolarHBondContact O-N 3Å; S262-W264 PolarHBondContact OG-N 3.28Å; S262-W264 PolarHBondContact OG-O 3.4Å; S262-W264 VanDerWaalsContact OG-O 3.11Å; S262-H276 PolarHBondContact O-CE1 2.93Å; S262-H276 VanDerWaalsContact O-CE1 3.28Å
263	S	98.3	Very high	97.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-82.3	5.3	169.2	57.6	0	0	0	0	113.6	W255 F275 H276	W255-S263 WeakPolarHBondContact CB-OG 3.3Å; W255-S263 PolarHBondContact O-N 3.29Å; W255-S263 PolarHBondContact O-OG 3.16Å; S263-F275 CarbonylContact O-C 3.26Å; S263-F275 WeakPolarHBondContact O-CA 3.35Å; S263-F275 WeakPolarHBondContact O-CD2 3.47Å; S263-F275 WeakPolarHBondContact OG-CE2 3.45Å; S263-H276 WeakPolarHBondContact CA-O 3.32Å; S263-H276 VanDerWaalsContact CB-O 3.23Å; S263-H276 WeakPolarHBondContact CB-O 3.37Å; S263-H276 PolarHBondContact O-CD2 2.79Å; S263-H276 VanDerWaalsContact O-CD2 3.26Å; S263-H276 PolarHBondContact O-N 3.13Å
264	W	98.4	Very high	97.3	Very high	8 Å²	8	41.2 Å²	41.2	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.2	176.9	-62.9	93.1	0	0	0	111.1	I238 H240 P251 P252 N253 W255 S262 C273 Y274 F275 L325	I238-W264 HydrophobicContact CG2-CH2 4.02Å; I238-W264 HydrophobicContact CG2-CZ3 4.32Å; H240-W264 HydrophobicContact CB-CH2 4.21Å; H240-W264 HydrophobicContact CB-CZ3 3.92Å; H240-W264 AromaticContact CD2-CH2 3.46Å; H240-W264 VanDerWaalsContact CD2-CH2 3.46Å; H240-W264 WeakPolarHBondContact CD2-CH2 3.48Å; H240-W264 AromaticContact CD2-CZ3 3.76Å; P251-W264 HydrophobicContact CB-CB 3.95Å; P251-W264 HydrophobicContact CB-CG 4.16Å; P252-W264 HydrophobicContact CB-CZ2 4.43Å; P252-W264 HydrophobicContact CG-CD2 3.82Å; P252-W264 HydrophobicContact CG-CE3 3.97Å; P252-W264 HydrophobicContact CG-CG 4.29Å; P252-W264 HydrophobicContact CG-CH2 4.43Å; P252-W264 HydrophobicContact CG-CZ2 4.28Å; P252-W264 HydrophobicContact CG-CZ3 4.28Å; N253-W264 PolarHBondContact OD1-NE1 2.75Å; W255-W264 HydrophobicContact CE3-CZ2 4.09Å; W255-W264 HydrophobicContact CZ3-CZ2 4.16Å; S262-W264 PolarHBondContact O-N 3Å; S262-W264 PolarHBondContact OG-N 3.28Å; S262-W264 PolarHBondContact OG-O 3.4Å; S262-W264 VanDerWaalsContact OG-O 3.11Å; W264-C273 HydrophobicContact CB-CB 4.3Å; W264-C273 HydrophobicContact CE3-CB 4.09Å; W264-Y274 WeakPolarHBondContact CA-O 3.11Å; W264-F275 HydrophobicContact CD2-CD2 4.34Å; W264-F275 AromaticContact CE2-CD2 3.98Å; W264-F275 HydrophobicContact CE3-CB 4.09Å; W264-F275 HydrophobicContact CH2-CB 3.95Å; W264-F275 HydrophobicContact CH2-CD2 4.42Å; W264-F275 HydrophobicContact CZ2-CB 4.41Å; W264-F275 HydrophobicContact CZ2-CD2 4.04Å; W264-F275 HydrophobicContact CZ3-CB 3.78Å; W264-L325 HydrophobicContact CH2-CD2 4.36Å; W264-L325 HydrophobicContact CZ2-CD2 4.1Å
265	H	98.3	Very high	97.4	Very high	69 Å²	69	39.3 Å²	39.3	32%	0.319	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.9	176.5	-165.4	68.3	0	0	0	111.5	C273 Y274 K280	H265-C273 CarbonylContact O-C 3.56Å; H265-C273 WeakPolarHBondContact O-CA 3.43Å; H265-Y274 HydrophobicContact CB-CD1 4.43Å; H265-Y274 HydrophobicContact CB-CE1 3.82Å; H265-Y274 HydrophobicContact CB-CE2 4.14Å; H265-Y274 AromaticContact CD2-CE1 3.72Å; H265-Y274 AromaticContact CD2-CZ 3.76Å; H265-Y274 PolarHBondContact CD2-OH 2.84Å; H265-Y274 VanDerWaalsContact CD2-OH 3.24Å; H265-Y274 PolarHBondContact N-O 3.35Å; H265-Y274 VanDerWaalsContact O-CD1 3.25Å; H265-Y274 WeakPolarHBondContact O-CD1 3.35Å; H265-Y274 PolarHBondContact O-N 3.31Å; H265-K280 HydrophobicContact CB-CB 4.16Å
266	F	98.4	Very high	97.3	Very high	23 Å²	23	39.5 Å²	39.5	10%	0.101	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.7	-179.8	177.6	-106.2	0	0	0	110.9	H244 T249 E268 N271	H244-F266 HydrophobicContact CB-CD1 3.93Å; H244-F266 HydrophobicContact CB-CD2 3.75Å; H244-F266 HydrophobicContact CB-CE1 3.96Å; H244-F266 HydrophobicContact CB-CE2 3.78Å; H244-F266 HydrophobicContact CB-CG 3.82Å; H244-F266 HydrophobicContact CB-CZ 3.89Å; H244-F266 AromaticContact CD2-CD1 3.67Å; H244-F266 AromaticContact CD2-CE1 3.56Å; H244-F266 AromaticContact CG-CD1 3.54Å; H244-F266 AromaticContact CG-CE1 3.74Å; H244-F266 AromaticContact CG-CG 3.81Å; H244-F266 AromaticContact ND1-CD1 3.88Å; T249-F266 HydrophobicContact CG2-CB 4.18Å; F266-E268 HydrophobicContact CD1-CG 4.35Å; F266-E268 HydrophobicContact CE1-CG 4Å; F266-N271 WeakPolarHBondContact CZ-OD1 3.37Å
267	D	98.4	Very high	97.3	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.08	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.3	171.8	179.5	-91.3	0	0	0	110.4	R227 W239 V269 R270 N271 Q272 Y274	R227-D267 IonicContact NH1-OD2 2.76Å; W239-D267 HydrophobicContact CH2-CB 3.71Å; W239-D267 HydrophobicContact CZ3-CB 3.66Å; D267-V269 VanDerWaalsContact C-N 3.3Å; D267-V269 PolarHBondContact O-N 3.23Å; D267-V269 WeakPolarHBondContact OD1-CA 3.42Å; D267-V269 WeakPolarHBondContact OD1-CB 3.33Å; D267-V269 PolarHBondContact OD1-N 3.09Å; D267-R270 HydrophobicContact CB-CB 4.31Å; D267-R270 WeakPolarHBondContact OD1-CB 3.41Å; D267-R270 PolarHBondContact OD1-N 2.63Å; D267-N271 WeakPolarHBondContact O-CA 3.45Å; D267-N271 PolarHBondContact O-N 3.29Å; D267-Q272 PolarHBondContact N-O 3.15Å; D267-Y274 HydrophobicContact CB-CD1 4.22Å; D267-Y274 HydrophobicContact CB-CE1 4.33Å
268	E	97	Very high	97.2	Very high	166 Å²	166	38.9 Å²	38.9	78%	0.776	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27	-176.8	-62.3	-176.6	172.1	0	0	113.4	F266	F266-E268 HydrophobicContact CD1-CG 4.35Å; F266-E268 HydrophobicContact CE1-CG 4Å
269	V	98.1	Very high	97.3	Very high	84 Å²	84	39.1 Å²	39.1	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-45.6	-177.9	179.3	0	0	0	0	110.3	R227 T228 D267	R227-V269 HydrophobicContact CG-CG1 4.49Å; T228-V269 HydrophobicContact CG2-CG1 4.08Å; D267-V269 VanDerWaalsContact C-N 3.3Å; D267-V269 PolarHBondContact O-N 3.23Å; D267-V269 WeakPolarHBondContact OD1-CA 3.42Å; D267-V269 WeakPolarHBondContact OD1-CB 3.33Å; D267-V269 PolarHBondContact OD1-N 3.09Å
270	R	98.1	Very high	97.5	Very high	13 Å²	13	39.8 Å²	39.8	5%	0.049	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.1	-179.7	-171.2	68.3	-176.6	-141.7	-4.4	112.1	S226 R227 R229 W239 D267 Q272	S226-R270 PolarHBondContact O-NH1 2.66Å; R227-R270 HydrophobicContact CB-CB 4.32Å; R227-R270 WeakPolarHBondContact O-CA 3.47Å; R227-R270 WeakPolarHBondContact O-CB 3.36Å; R227-R270 WeakPolarHBondContact O-CD 3.37Å; R229-R270 VanDerWaalsContact CG-NH1 3.32Å; R229-R270 PolarHBondContact NH2-O 3.3Å; W239-R270 HydrophobicContact CD2-CG 3.97Å; W239-R270 HydrophobicContact CE3-CB 4.25Å; W239-R270 HydrophobicContact CE3-CG 3.68Å; W239-R270 HydrophobicContact CH2-CB 3.94Å; W239-R270 HydrophobicContact CH2-CG 4.08Å; W239-R270 HydrophobicContact CZ2-CG 4.34Å; W239-R270 HydrophobicContact CZ3-CB 3.78Å; W239-R270 HydrophobicContact CZ3-CG 3.74Å; D267-R270 HydrophobicContact CB-CB 4.31Å; D267-R270 WeakPolarHBondContact OD1-CB 3.41Å; D267-R270 PolarHBondContact OD1-N 2.63Å; R270-Q272 VanDerWaalsContact C-N 3.3Å; R270-Q272 HydrophobicContact CG-CB 3.97Å; R270-Q272 HydrophobicContact CG-CG 4.23Å
271	N	97.7	Very high	97.7	Very high	115 Å²	115	42.4 Å²	42.4	62%	0.615	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	43	-172.1	-166.9	43.9	0	0	0	112.2	F266 D267	F266-N271 WeakPolarHBondContact CZ-OD1 3.37Å; D267-N271 WeakPolarHBondContact O-CA 3.45Å; D267-N271 PolarHBondContact O-N 3.29Å
272	Q	98.4	Very high	97.8	Very high	20 Å²	20	37.1 Å²	37.1	9%	0.093	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	164.4	-179	-68.4	-172.3	-70.2	0	0	109	W239 H240 D241 D267 R270	W239-Q272 HydrophobicContact CE3-CB 3.86Å; W239-Q272 HydrophobicContact CZ3-CB 4.46Å; H240-Q272 WeakPolarHBondContact O-CB 3.47Å; D241-Q272 PolarHBondContact OD1-NE2 3.42Å; D267-Q272 PolarHBondContact N-O 3.15Å; R270-Q272 VanDerWaalsContact C-N 3.3Å; R270-Q272 HydrophobicContact CG-CB 3.97Å; R270-Q272 HydrophobicContact CG-CG 4.23Å
273	C	98.6	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	140.2	169.6	-72.5	0	0	0	0	111	W239 H240 C242 T249 W264 H265	W239-C273 CarbonylContact C-O 3.57Å; W239-C273 WeakPolarHBondContact CA-O 3.34Å; H240-C273 PolarHBondContact N-O 3.14Å; H240-C273 PolarHBondContact O-N 3.29Å; C242-C273 HydrophobicContact CB-CB 3.81Å; C242-C273 WeakPolarHBondContact CB-SG 3.42Å; C242-C273 WeakPolarHBondContact SG-CB 3.38Å; C242-C273 PolarHBondContact SG-N 2.92Å; C242-C273 CovalentContact SG-SG 2.03Å; C242-C273 PolarHBondContact SG-SG 3.06Å; T249-C273 WeakPolarHBondContact CG2-SG 3.32Å; W264-C273 HydrophobicContact CB-CB 4.3Å; W264-C273 HydrophobicContact CE3-CB 4.09Å; H265-C273 CarbonylContact O-C 3.56Å; H265-C273 WeakPolarHBondContact O-CA 3.43Å
274	Y	98.8	Very high	97.9	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	154.3	167.6	65.3	-87.7	0	0	0	111.1	F223 I238 W239 W264 H265 D267 K280 P283	F223-Y274 HydrophobicContact CE2-CD1 4.28Å; F223-Y274 HydrophobicContact CE2-CD2 4.25Å; F223-Y274 HydrophobicContact CE2-CG 4.1Å; F223-Y274 AromaticContact CZ-CD1 3.88Å; F223-Y274 HydrophobicContact CZ-CD1 3.88Å; F223-Y274 HydrophobicContact CZ-CD2 4.42Å; F223-Y274 AromaticContact CZ-CE1 3.85Å; F223-Y274 HydrophobicContact CZ-CE1 3.85Å; F223-Y274 HydrophobicContact CZ-CE2 4.4Å; F223-Y274 HydrophobicContact CZ-CG 4.15Å; I238-Y274 VanDerWaalsContact O-CA 3.25Å; I238-Y274 WeakPolarHBondContact O-CA 3.35Å; W239-Y274 AromaticContact CH2-CD1 3.81Å; W239-Y274 HydrophobicContact CH2-CD1 3.81Å; W239-Y274 HydrophobicContact CH2-CG 4.23Å; W239-Y274 AromaticContact CZ3-CD1 3.75Å; W239-Y274 HydrophobicContact CZ3-CD1 3.75Å; W239-Y274 HydrophobicContact CZ3-CG 4.18Å; W264-Y274 WeakPolarHBondContact CA-O 3.11Å; H265-Y274 HydrophobicContact CB-CD1 4.43Å; H265-Y274 HydrophobicContact CB-CE1 3.82Å; H265-Y274 HydrophobicContact CB-CE2 4.14Å; H265-Y274 AromaticContact CD2-CE1 3.72Å; H265-Y274 AromaticContact CD2-CZ 3.76Å; H265-Y274 PolarHBondContact CD2-OH 2.84Å; H265-Y274 VanDerWaalsContact CD2-OH 3.24Å; H265-Y274 PolarHBondContact N-O 3.35Å; H265-Y274 VanDerWaalsContact O-CD1 3.25Å; H265-Y274 WeakPolarHBondContact O-CD1 3.35Å; H265-Y274 PolarHBondContact O-N 3.31Å; D267-Y274 HydrophobicContact CB-CD1 4.22Å; D267-Y274 HydrophobicContact CB-CE1 4.33Å; Y274-K280 VanDerWaalsContact CE2-O 3.31Å; Y274-K280 WeakPolarHBondContact CE2-O 3.32Å; Y274-K280 PolarHBondContact OH-O 2.77Å; Y274-P283 HydrophobicContact CD2-CB 3.67Å; Y274-P283 HydrophobicContact CE2-CB 3.81Å
275	F	98.8	Very high	97.9	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144	178.7	-178.2	-110.2	0	0	0	112.3	I238 W255 S263 W264 Q277 D284 E321 T351	I238-F275 HydrophobicContact CB-CB 3.98Å; I238-F275 HydrophobicContact CD1-CD1 4.07Å; I238-F275 HydrophobicContact CG2-CB 4.04Å; I238-F275 PolarHBondContact O-N 3.01Å; I238-F275 VanDerWaalsContact O-N 3.13Å; W255-F275 HydrophobicContact CE3-CD2 4.07Å; W255-F275 AromaticContact CE3-CE2 3.57Å; W255-F275 HydrophobicContact CE3-CE2 3.57Å; W255-F275 HydrophobicContact CE3-CZ 4.2Å; W255-F275 HydrophobicContact CZ3-CD2 4.47Å; W255-F275 HydrophobicContact CZ3-CE2 4.14Å; W255-F275 HydrophobicContact CZ3-CZ 4.49Å; S263-F275 CarbonylContact O-C 3.26Å; S263-F275 WeakPolarHBondContact O-CA 3.35Å; S263-F275 WeakPolarHBondContact O-CD2 3.47Å; S263-F275 WeakPolarHBondContact OG-CE2 3.45Å; W264-F275 HydrophobicContact CD2-CD2 4.34Å; W264-F275 AromaticContact CE2-CD2 3.98Å; W264-F275 HydrophobicContact CE3-CB 4.09Å; W264-F275 HydrophobicContact CH2-CB 3.95Å; W264-F275 HydrophobicContact CH2-CD2 4.42Å; W264-F275 HydrophobicContact CZ2-CB 4.41Å; W264-F275 HydrophobicContact CZ2-CD2 4.04Å; W264-F275 HydrophobicContact CZ3-CB 3.78Å; F275-Q277 HydrophobicContact CE1-CG 3.52Å; F275-Q277 VanDerWaalsContact CZ-CD 3.42Å; F275-Q277 HydrophobicContact CZ-CG 3.67Å; F275-D284 HydrophobicContact CD1-CB 3.99Å; F275-D284 VanDerWaalsContact CD1-OD2 3.22Å; F275-D284 WeakPolarHBondContact CD1-OD2 3.43Å; F275-D284 HydrophobicContact CE1-CB 4.48Å; F275-D284 WeakPolarHBondContact CE1-OD2 3.25Å; F275-D284 PolarHBondContact O-N 3.31Å; F275-D284 VanDerWaalsContact O-N 3.13Å; F275-E321 HydrophobicContact CD1-CG 4.31Å; F275-E321 VanDerWaalsContact CE1-CD 3.41Å; F275-E321 HydrophobicContact CE1-CG 3.49Å; F275-E321 VanDerWaalsContact CE1-CG 3.49Å; F275-E321 WeakPolarHBondContact CE1-OE1 3.2Å; F275-E321 HydrophobicContact CZ-CG 3.68Å; F275-T351 HydrophobicContact CZ-CG2 4.48Å
276	H	98.5	Very high	97.9	Very high	9 Å²	9	33.2 Å²	33.2	4%	0.042	16%	0.164	C	C	.	.			trans	-148.9	124.5	172	61.2	89	0	0	0	111.2	S262 S263 F278 M279 Q282 D284	S262-H276 PolarHBondContact O-CE1 2.93Å; S262-H276 VanDerWaalsContact O-CE1 3.28Å; S263-H276 WeakPolarHBondContact CA-O 3.32Å; S263-H276 VanDerWaalsContact CB-O 3.23Å; S263-H276 WeakPolarHBondContact CB-O 3.37Å; S263-H276 PolarHBondContact O-CD2 2.79Å; S263-H276 VanDerWaalsContact O-CD2 3.26Å; S263-H276 PolarHBondContact O-N 3.13Å; H276-F278 PolarHBondContact ND1-O 2.85Å; H276-F278 VanDerWaalsContact ND1-O 3.16Å; H276-M279 WeakPolarHBondContact CB-O 3.21Å; H276-Q282 WeakPolarHBondContact CB-O 3.35Å; H276-D284 WeakPolarHBondContact CA-OD2 3.37Å
277	Q	98	Very high	97.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-74.4	-33.3	175.3	-70.6	-82.4	19	0	0	112.4	S257 V258 F275 D284 F318 E321 T351	S257-Q277 CarbonylContact C-O 3.57Å; S257-Q277 WeakPolarHBondContact CA-O 3.35Å; S257-Q277 WeakPolarHBondContact CB-O 3.28Å; V258-Q277 PolarHBondContact N-O 2.92Å; F275-Q277 HydrophobicContact CE1-CG 3.52Å; F275-Q277 VanDerWaalsContact CZ-CD 3.42Å; F275-Q277 HydrophobicContact CZ-CG 3.67Å; Q277-D284 WeakPolarHBondContact CB-OD2 3.37Å; Q277-D284 WeakPolarHBondContact CG-OD2 3.31Å; Q277-D284 PolarHBondContact N-OD2 2.92Å; Q277-F318 HydrophobicContact CG-CB 4.21Å; Q277-F318 HydrophobicContact CG-CD1 4.21Å; Q277-E321 PolarHBondContact NE2-OE1 3.34Å; Q277-T351 PolarHBondContact NE2-O 3.25Å
278	F	95.7	Very high	97.9	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	18%	0.177	C	C	.	.	S	Bend	trans	-104.5	-121.7	-177.4	-57.5	-70.5	0	0	0	109.7	R174 H215 S257 V258 Y259 H276 Q282 A315 F318	R174-F278 HydrophobicContact CB-CE1 4.49Å; R174-F278 HydrophobicContact CB-CE2 4.44Å; R174-F278 HydrophobicContact CB-CZ 4.43Å; R174-F278 HydrophobicContact CG-CD1 3.94Å; R174-F278 HydrophobicContact CG-CE1 3.68Å; R174-F278 HydrophobicContact CG-CE2 4.41Å; R174-F278 HydrophobicContact CG-CG 4.42Å; R174-F278 HydrophobicContact CG-CZ 3.93Å; H215-F278 AromaticContact CE1-CD2 3.35Å; H215-F278 WeakPolarHBondContact CE1-CD2 3.37Å; H215-F278 AromaticContact CE1-CE2 3.57Å; H215-F278 AromaticContact ND1-CD2 3.43Å; H215-F278 WeakPolarHBondContact ND1-CD2 3.26Å; H215-F278 AromaticContact ND1-CE2 3.62Å; S257-F278 VanDerWaalsContact CB-O 3.27Å; S257-F278 WeakPolarHBondContact CB-O 3.31Å; S257-F278 PolarHBondContact OG-O 3.37Å; V258-F278 HydrophobicContact CB-CD1 4.08Å; V258-F278 HydrophobicContact CB-CE1 4.34Å; V258-F278 HydrophobicContact CG1-CD1 4.5Å; V258-F278 HydrophobicContact CG2-CD1 4.16Å; V258-F278 HydrophobicContact CG2-CE1 4.04Å; Y259-F278 HydrophobicContact CD2-CB 4.25Å; Y259-F278 HydrophobicContact CE2-CB 3.99Å; Y259-F278 AromaticContact CE2-CD1 3.9Å; Y259-F278 HydrophobicContact CE2-CD1 3.9Å; Y259-F278 HydrophobicContact CE2-CG 4.4Å; H276-F278 PolarHBondContact ND1-O 2.85Å; H276-F278 VanDerWaalsContact ND1-O 3.16Å; F278-Q282 HydrophobicContact CB-CB 4.45Å; F278-A315 HydrophobicContact CE2-CB 4.03Å; F278-A315 HydrophobicContact CZ-CB 3.8Å; F278-F318 HydrophobicContact CE1-CE2 4.31Å; F278-F318 AromaticContact CZ-CD2 3.82Å; F278-F318 HydrophobicContact CZ-CD2 3.82Å; F278-F318 AromaticContact CZ-CE2 4Å; F278-F318 HydrophobicContact CZ-CE2 4Å; F278-F318 HydrophobicContact CZ-CG 4.46Å
279	M	95.8	Very high	98	Very high	48 Å²	48	30.2 Å²	30.2	24%	0.236	15%	0.145	C	C	.	.			trans	-81.4	159.2	177.4	-62.7	-63.6	-173.7	0	0	112.2	L170 F173 Y259 H276 E281 Q282	L170-M279 HydrophobicContact CD2-CB 4.44Å; L170-M279 HydrophobicContact CD2-CG 4.28Å; F173-M279 HydrophobicContact CB-CG 4.3Å; F173-M279 HydrophobicContact CD1-CE 3.47Å; F173-M279 VanDerWaalsContact CD1-CE 3.47Å; F173-M279 HydrophobicContact CD2-CE 4.33Å; F173-M279 HydrophobicContact CE1-CE 3.56Å; F173-M279 HydrophobicContact CE2-CE 4.4Å; F173-M279 HydrophobicContact CG-CE 3.87Å; F173-M279 HydrophobicContact CG-CG 4.47Å; F173-M279 HydrophobicContact CZ-CE 4.04Å; Y259-M279 HydrophobicContact CD1-CE 4.35Å; Y259-M279 HydrophobicContact CD2-CE 3.62Å; Y259-M279 HydrophobicContact CD2-CG 4.1Å; Y259-M279 HydrophobicContact CD2-SD 3.97Å; Y259-M279 HydrophobicContact CE2-CE 4.34Å; Y259-M279 HydrophobicContact CG-CE 3.64Å; Y259-M279 HydrophobicContact CG-SD 4.3Å; H276-M279 WeakPolarHBondContact CB-O 3.21Å; M279-E281 PolarHBondContact O-N 3.19Å; M279-Q282 HydrophobicContact CB-CG 4.48Å; M279-Q282 VanDerWaalsContact CB-OE1 3.3Å; M279-Q282 WeakPolarHBondContact O-CA 3.43Å; M279-Q282 WeakPolarHBondContact O-CB 3.46Å; M279-Q282 PolarHBondContact O-N 3.23Å
280	K	96.6	Very high	98	Very high	92 Å²	92	30.5 Å²	30.5	40%	0.4	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.6	174.9	63.5	-177.5	175.5	96.9	0	112.6	H265 Y274 Q282	H265-K280 HydrophobicContact CB-CB 4.16Å; Y274-K280 VanDerWaalsContact CE2-O 3.31Å; Y274-K280 WeakPolarHBondContact CE2-O 3.32Å; Y274-K280 PolarHBondContact OH-O 2.77Å; K280-Q282 PolarHBondContact O-N 3.33Å
281	E	97.2	Very high	98	Very high	61 Å²	61	33.1 Å²	33.1	29%	0.285	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-1.3	172.9	-64.2	76	-166.3	0	0	113.1	S217 D218 M279 P283	S217-E281 CarbonylContact C-O 3.52Å; S217-E281 WeakPolarHBondContact CA-O 3.39Å; D218-E281 PolarHBondContact N-O 2.9Å; M279-E281 PolarHBondContact O-N 3.19Å; E281-P283 WeakPolarHBondContact O-CD 3.39Å
282	Q	97.6	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-119.8	65.9	-179.6	-66.2	169.6	-67.2	0	0	111.5	L170 F173 H215 T216 H276 F278 M279 K280 D284	L170-Q282 HydrophobicContact CD2-CG 4.39Å; F173-Q282 PolarHBondContact O-NE2 2.85Å; F173-Q282 PolarHBondContact O-OE1 3.41Å; H215-Q282 HydrophobicContact CB-CB 4.44Å; H215-Q282 PolarHBondContact NE2-NE2 2.98Å; T216-Q282 WeakPolarHBondContact O-CA 3.46Å; H276-Q282 WeakPolarHBondContact CB-O 3.35Å; F278-Q282 HydrophobicContact CB-CB 4.45Å; M279-Q282 HydrophobicContact CB-CG 4.48Å; M279-Q282 VanDerWaalsContact CB-OE1 3.3Å; M279-Q282 WeakPolarHBondContact O-CA 3.43Å; M279-Q282 WeakPolarHBondContact O-CB 3.46Å; M279-Q282 PolarHBondContact O-N 3.23Å; K280-Q282 PolarHBondContact O-N 3.33Å; Q282-D284 PolarHBondContact O-N 3.35Å
283	P	98.5	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-62.1	132.4	177.5	27.7	-37.7	0	0	0	111.9	H215 T216 D218 F223 Y237 Y274 E281	H215-P283 WeakPolarHBondContact CB-O 3.37Å; T216-P283 PolarHBondContact N-O 2.88Å; T216-P283 VanDerWaalsContact O-CD 3.24Å; T216-P283 WeakPolarHBondContact O-CD 3.47Å; D218-P283 HydrophobicContact CB-CG 4.33Å; F223-P283 HydrophobicContact CD2-CB 3.67Å; F223-P283 HydrophobicContact CD2-CG 3.46Å; F223-P283 VanDerWaalsContact CD2-CG 3.46Å; F223-P283 HydrophobicContact CE2-CB 3.51Å; F223-P283 HydrophobicContact CE2-CG 3.7Å; F223-P283 HydrophobicContact CG-CG 3.97Å; F223-P283 HydrophobicContact CZ-CB 4.36Å; F223-P283 HydrophobicContact CZ-CG 4.38Å; Y237-P283 HydrophobicContact CD1-CB 3.68Å; Y237-P283 HydrophobicContact CD1-CG 4.09Å; Y237-P283 HydrophobicContact CE1-CB 3.92Å; Y237-P283 HydrophobicContact CE1-CG 3.79Å; Y237-P283 WeakPolarHBondContact CE1-O 3.18Å; Y274-P283 HydrophobicContact CD2-CB 3.67Å; Y274-P283 HydrophobicContact CE2-CB 3.81Å; E281-P283 WeakPolarHBondContact O-CD 3.39Å
284	D	98.8	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-78.1	139.9	-176.6	-71.3	-35	0	0	0	112.9	N214 H215 Y237 F275 H276 Q277 Q282	N214-D284 PolarHBondContact ND2-OD1 2.94Å; H215-D284 WeakPolarHBondContact CB-OD1 3.37Å; Y237-D284 VanDerWaalsContact CD1-O 3.26Å; Y237-D284 WeakPolarHBondContact CD1-O 3.36Å; F275-D284 HydrophobicContact CD1-CB 3.99Å; F275-D284 VanDerWaalsContact CD1-OD2 3.22Å; F275-D284 WeakPolarHBondContact CD1-OD2 3.43Å; F275-D284 HydrophobicContact CE1-CB 4.48Å; F275-D284 WeakPolarHBondContact CE1-OD2 3.25Å; F275-D284 PolarHBondContact O-N 3.31Å; F275-D284 VanDerWaalsContact O-N 3.13Å; H276-D284 WeakPolarHBondContact CA-OD2 3.37Å; Q277-D284 WeakPolarHBondContact CB-OD2 3.37Å; Q277-D284 WeakPolarHBondContact CG-OD2 3.31Å; Q277-D284 PolarHBondContact N-OD2 2.92Å; Q282-D284 PolarHBondContact O-N 3.35Å
285	L	98.8	Very high	98.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-74.7	138.1	176.3	-73	173.6	0	0	0	110.8	N214 T216 W222 Y237 F287 V292 I296	N214-L285 PolarHBondContact O-N 2.87Å; T216-L285 HydrophobicContact CG2-CD1 3.91Å; T216-L285 HydrophobicContact CG2-CD2 3.96Å; T216-L285 HydrophobicContact CG2-CG 4Å; W222-L285 HydrophobicContact CE3-CD2 3.98Å; W222-L285 HydrophobicContact CZ3-CD1 4.22Å; W222-L285 HydrophobicContact CZ3-CD2 4.27Å; Y237-L285 HydrophobicContact CD1-CD2 4.34Å; Y237-L285 HydrophobicContact CE1-CD2 3.85Å; Y237-L285 HydrophobicContact CE1-CG 4.5Å; Y237-L285 HydrophobicContact CE2-CD2 4.4Å; L285-F287 HydrophobicContact CB-CD2 4.28Å; L285-F287 HydrophobicContact CB-CE2 3.96Å; L285-F287 PolarHBondContact O-N 2.88Å; L285-V292 HydrophobicContact CB-CG1 3.9Å; L285-V292 HydrophobicContact CD1-CG1 4.36Å; L285-V292 HydrophobicContact CD2-CG1 4.4Å; L285-V292 HydrophobicContact CG-CG1 4.47Å; L285-I296 HydrophobicContact CD1-CD1 3.93Å
286	N	98.8	Very high	98	Very high	33 Å²	33	34 Å²	34	18%	0.176	17%	0.165	C	C	.	.			trans	-80.4	86.8	177.5	178.7	13.5	0	0	0	111	D235 Y236 I238 R288 N289	D235-N286 PolarHBondContact O-ND2 3.48Å; D235-N286 VanDerWaalsContact O-ND2 3.1Å; Y236-N286 PolarHBondContact O-N 3.35Å; I238-N286 HydrophobicContact CG1-CB 3.99Å; N286-R288 PolarHBondContact O-N 3.45Å; N286-R288 WeakPolarHBondContact OD1-CB 3.23Å; N286-R288 PolarHBondContact OD1-N 3.32Å; N286-N289 VanDerWaalsContact O-CB 3.27Å; N286-N289 WeakPolarHBondContact O-CB 3.34Å; N286-N289 PolarHBondContact O-N 2.99Å
287	F	98.6	Very high	98.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.2	179.1	-86.6	-84.8	0	0	0	115.1	P213 L285 Q293 I296 L319 L320 I360 F364	P213-F287 HydrophobicContact CB-CZ 3.96Å; P213-F287 WeakPolarHBondContact O-CE2 3.41Å; P213-F287 WeakPolarHBondContact O-CZ 3.43Å; L285-F287 HydrophobicContact CB-CD2 4.28Å; L285-F287 HydrophobicContact CB-CE2 3.96Å; L285-F287 PolarHBondContact O-N 2.88Å; F287-Q293 HydrophobicContact CD1-CG 4.16Å; F287-Q293 PolarHBondContact O-NE2 3.15Å; F287-I296 HydrophobicContact CE1-CG1 4.1Å; F287-I296 HydrophobicContact CZ-CD1 4.45Å; F287-I296 HydrophobicContact CZ-CG1 3.96Å; F287-L319 WeakPolarHBondContact CB-O 3.46Å; F287-L319 HydrophobicContact CD2-CB 4.48Å; F287-L319 HydrophobicContact CD2-CD2 3.75Å; F287-L319 HydrophobicContact CE1-CD2 4.23Å; F287-L319 HydrophobicContact CE2-CD2 3.39Å; F287-L319 HydrophobicContact CG-CD2 4.31Å; F287-L319 HydrophobicContact CZ-CD2 3.66Å; F287-L320 HydrophobicContact CB-CD2 3.9Å; F287-I360 HydrophobicContact CB-CD1 3.86Å; F287-I360 HydrophobicContact CD1-CD1 4.23Å; F287-I360 HydrophobicContact CD1-CG2 3.97Å; F287-I360 HydrophobicContact CE1-CG2 4.22Å; F287-I360 HydrophobicContact CG-CD1 4.31Å; F287-F364 AromaticContact CE1-CZ 3.97Å; F287-F364 HydrophobicContact CE1-CZ 3.97Å
288	R	97.8	Very high	98.1	Very high	117 Å²	117	38.7 Å²	38.7	44%	0.442	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.1	170.1	-54.5	-173.6	176.3	-72.4	-2.8	112	N286 L320 E321	N286-R288 PolarHBondContact O-N 3.45Å; N286-R288 WeakPolarHBondContact OD1-CB 3.23Å; N286-R288 PolarHBondContact OD1-N 3.32Å; R288-L320 HydrophobicContact CG-CD2 3.83Å; R288-E321 PolarHBondContact NH2-O 3.26Å
289	N	98.6	Very high	98.2	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	19%	0.186	C	C	.	.	S	Bend	trans	-83.6	118.8	174.3	-175.1	-10.3	0	0	0	110.1	D235 N286 D291 V292 Q293	D235-N289 PolarHBondContact O-ND2 3.4Å; N286-N289 VanDerWaalsContact O-CB 3.27Å; N286-N289 WeakPolarHBondContact O-CB 3.34Å; N286-N289 PolarHBondContact O-N 2.99Å; N289-D291 PolarHBondContact O-N 3.36Å; N289-D291 WeakPolarHBondContact OD1-CB 3.49Å; N289-D291 PolarHBondContact OD1-N 2.78Å; N289-V292 HydrophobicContact CB-CB 4.33Å; N289-V292 HydrophobicContact CB-CG2 3.95Å; N289-V292 WeakPolarHBondContact O-CB 3.36Å; N289-V292 PolarHBondContact O-N 3.4Å; N289-V292 VanDerWaalsContact O-N 3.17Å; N289-Q293 PolarHBondContact O-N 3.12Å
290	P	98.4	Very high	98.4	Very high	91 Å²	91	36.4 Å²	36.4	59%	0.591	18%	0.175	S	C	*	.	H	α-helix	trans	-63	-27	179.1	26.5	-35.1	0	0	0	113.2	V292 Q293 E294	P290-V292 VanDerWaalsContact C-N 3.31Å; P290-V292 PolarHBondContact O-N 3.33Å; P290-Q293 PolarHBondContact O-N 3.46Å; P290-E294 PolarHBondContact O-N 3.17Å
291	D	98.6	Very high	98.5	Very high	68 Å²	68	34.3 Å²	34.3	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-64.8	-38.5	176.5	-69.4	-18.9	0	0	0	111.1	Y236 N289 E294 E295	Y236-D291 HydrophobicContact CE2-CB 3.78Å; N289-D291 PolarHBondContact O-N 3.36Å; N289-D291 WeakPolarHBondContact OD1-CB 3.49Å; N289-D291 PolarHBondContact OD1-N 2.78Å; D291-E294 PolarHBondContact O-N 3.11Å; D291-E295 WeakPolarHBondContact O-CG 2.98Å; D291-E295 PolarHBondContact O-N 2.69Å
292	V	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-45.9	175.5	171.3	0	0	0	0	110.3	Y236 L285 N289 P290 E294 E295 I296	Y236-V292 HydrophobicContact CD1-CG2 4.13Å; Y236-V292 HydrophobicContact CD2-CG2 3.96Å; Y236-V292 HydrophobicContact CE2-CG2 4.4Å; Y236-V292 HydrophobicContact CG-CG2 3.83Å; L285-V292 HydrophobicContact CB-CG1 3.9Å; L285-V292 HydrophobicContact CD1-CG1 4.36Å; L285-V292 HydrophobicContact CD2-CG1 4.4Å; L285-V292 HydrophobicContact CG-CG1 4.47Å; N289-V292 HydrophobicContact CB-CB 4.33Å; N289-V292 HydrophobicContact CB-CG2 3.95Å; N289-V292 WeakPolarHBondContact O-CB 3.36Å; N289-V292 PolarHBondContact O-N 3.4Å; N289-V292 VanDerWaalsContact O-N 3.17Å; P290-V292 VanDerWaalsContact C-N 3.31Å; P290-V292 PolarHBondContact O-N 3.33Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 3.15Å; V292-E295 PolarHBondContact O-N 3.01Å; V292-I296 WeakPolarHBondContact O-CG1 3.49Å; V292-I296 PolarHBondContact O-N 3.03Å; V292-I296 VanDerWaalsContact O-N 3.07Å
293	Q	98.6	Very high	98.6	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-38.6	178.3	-63.3	-173.9	24.6	0	0	112.1	F287 N289 P290 K297	F287-Q293 HydrophobicContact CD1-CG 4.16Å; F287-Q293 PolarHBondContact O-NE2 3.15Å; N289-Q293 PolarHBondContact O-N 3.12Å; P290-Q293 PolarHBondContact O-N 3.46Å; Q293-K297 WeakPolarHBondContact O-CG 3.12Å; Q293-K297 PolarHBondContact O-N 3.01Å; Q293-K297 VanDerWaalsContact O-N 3.13Å
294	E	98.6	Very high	98.6	Very high	82 Å²	82	34 Å²	34	38%	0.383	16%	0.163	S	C	.	.	H	α-helix	trans	-70	-41.4	178.4	-168.2	56.5	-147.8	0	0	112.1	P290 D291 V292 I296 K297 E298 R301	P290-E294 PolarHBondContact O-N 3.17Å; D291-E294 PolarHBondContact O-N 3.11Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 3.15Å; E294-I296 VanDerWaalsContact C-N 3.29Å; E294-I296 PolarHBondContact O-N 3.36Å; E294-K297 PolarHBondContact O-N 2.91Å; E294-K297 VanDerWaalsContact O-N 3.17Å; E294-E298 WeakPolarHBondContact O-CG 3.28Å; E294-E298 PolarHBondContact O-N 3.08Å; E294-R301 IonicContact OE1-CZ 3.91Å; E294-R301 IonicContact OE1-NH1 2.85Å; E294-R301 PolarHBondContact OE1-NH1 3.03Å; E294-R301 IonicContact OE1-NH2 3.89Å
295	E	98.6	Very high	98.6	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-39.4	176.2	-64.5	-85.7	-170.2	0	0	111.8	W222 K232 Y236 D291 V292 E298 I299	W222-E295 HydrophobicContact CH2-CB 3.59Å; W222-E295 HydrophobicContact CH2-CG 4.34Å; W222-E295 HydrophobicContact CZ2-CB 3.72Å; W222-E295 HydrophobicContact CZ2-CG 4.04Å; W222-E295 HydrophobicContact CZ3-CB 4.48Å; K232-E295 IonicContact NZ-OE1 3.55Å; K232-E295 PolarHBondContact NZ-OE1 3.25Å; Y236-E295 HydrophobicContact CE1-CG 4Å; Y236-E295 VanDerWaalsContact OH-CG 3.31Å; Y236-E295 WeakPolarHBondContact OH-CG 3.2Å; Y236-E295 PolarHBondContact OH-OE1 3.31Å; D291-E295 WeakPolarHBondContact O-CG 2.98Å; D291-E295 PolarHBondContact O-N 2.69Å; V292-E295 PolarHBondContact O-N 3.01Å; E295-E298 WeakPolarHBondContact O-CB 3.21Å; E295-E298 PolarHBondContact O-N 2.93Å; E295-I299 WeakPolarHBondContact O-CG1 3.3Å; E295-I299 PolarHBondContact O-N 3.28Å; E295-I299 VanDerWaalsContact O-N 3.08Å
296	I	98.5	Very high	98.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-42.6	175.1	-67.3	-64.1	0	0	0	111.3	F211 P213 L285 F287 V292 E294 E298 I299 L300 F364	F211-I296 HydrophobicContact CE1-CG2 3.77Å; F211-I296 HydrophobicContact CZ-CG2 3.81Å; P213-I296 HydrophobicContact CB-CG2 4.5Å; L285-I296 HydrophobicContact CD1-CD1 3.93Å; F287-I296 HydrophobicContact CE1-CG1 4.1Å; F287-I296 HydrophobicContact CZ-CD1 4.45Å; F287-I296 HydrophobicContact CZ-CG1 3.96Å; V292-I296 WeakPolarHBondContact O-CG1 3.49Å; V292-I296 PolarHBondContact O-N 3.03Å; V292-I296 VanDerWaalsContact O-N 3.07Å; E294-I296 VanDerWaalsContact C-N 3.29Å; E294-I296 PolarHBondContact O-N 3.36Å; I296-E298 VanDerWaalsContact C-N 3.33Å; I296-E298 PolarHBondContact O-N 2.79Å; I296-I299 HydrophobicContact CD1-CD1 4.31Å; I296-I299 PolarHBondContact O-N 3.04Å; I296-L300 PolarHBondContact O-N 3.22Å; I296-L300 VanDerWaalsContact O-N 3.1Å; I296-F364 HydrophobicContact CG2-CD1 4.4Å; I296-F364 HydrophobicContact CG2-CE1 3.53Å; I296-F364 HydrophobicContact CG2-CZ 3.77Å
297	K	98.8	Very high	98.6	Very high	35 Å²	35	40.1 Å²	40.1	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-38.4	174.8	-70.9	170.6	-173.1	168.1	0	112.1	Q293 E294 I299 L300 R301 T367	Q293-K297 WeakPolarHBondContact O-CG 3.12Å; Q293-K297 PolarHBondContact O-N 3.01Å; Q293-K297 VanDerWaalsContact O-N 3.13Å; E294-K297 PolarHBondContact O-N 2.91Å; E294-K297 VanDerWaalsContact O-N 3.17Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.37Å; K297-L300 WeakPolarHBondContact O-CB 3.37Å; K297-L300 PolarHBondContact O-N 2.82Å; K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 2.98Å; K297-T367 HydrophobicContact CB-CG2 4.23Å; K297-T367 HydrophobicContact CG-CG2 4.39Å
298	E	98.8	Very high	98.6	Very high	75 Å²	75	40 Å²	40	35%	0.35	20%	0.198	S	C	.	.	H	α-helix	trans	-63.4	-35.6	174.9	-75.7	-63.3	124.9	0	0	112.6	E294 E295 I296 R301 F302	E294-E298 WeakPolarHBondContact O-CG 3.28Å; E294-E298 PolarHBondContact O-N 3.08Å; E295-E298 WeakPolarHBondContact O-CB 3.21Å; E295-E298 PolarHBondContact O-N 2.93Å; I296-E298 VanDerWaalsContact C-N 3.33Å; I296-E298 PolarHBondContact O-N 2.79Å; E298-R301 PolarHBondContact O-N 3.01Å; E298-R301 IonicContact OE1-CZ 2.87Å; E298-R301 IonicContact OE1-NE 2.77Å; E298-R301 IonicContact OE1-NH1 3.96Å; E298-R301 PolarHBondContact OE1-NH1 2.79Å; E298-F302 PolarHBondContact O-N 3.5Å
299	I	98.8	Very high	98.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-42.5	173.7	-63.3	159.7	0	0	0	110.8	F180 F211 W222 E295 I296 K297 R301 F302 W303	F180-I299 HydrophobicContact CB-CD1 3.68Å; F180-I299 HydrophobicContact CB-CG1 4.02Å; F180-I299 HydrophobicContact CB-CG2 3.69Å; F180-I299 HydrophobicContact CD2-CD1 3.64Å; F180-I299 HydrophobicContact CE2-CD1 4.41Å; F180-I299 HydrophobicContact CG-CD1 3.75Å; F180-I299 HydrophobicContact CG-CG2 4.41Å; F211-I299 HydrophobicContact CE2-CB 4.24Å; F211-I299 HydrophobicContact CE2-CG2 3.62Å; F211-I299 HydrophobicContact CZ-CB 4.45Å; F211-I299 HydrophobicContact CZ-CG2 4.3Å; W222-I299 HydrophobicContact CH2-CD1 3.93Å; E295-I299 WeakPolarHBondContact O-CG1 3.3Å; E295-I299 PolarHBondContact O-N 3.28Å; E295-I299 VanDerWaalsContact O-N 3.08Å; I296-I299 HydrophobicContact CD1-CD1 4.31Å; I296-I299 PolarHBondContact O-N 3.04Å; K297-I299 VanDerWaalsContact C-N 3.31Å; K297-I299 PolarHBondContact O-N 3.37Å; I299-R301 VanDerWaalsContact C-N 3.35Å; I299-R301 PolarHBondContact O-N 3.32Å; I299-F302 WeakPolarHBondContact O-CB 3.48Å; I299-F302 PolarHBondContact O-N 2.9Å; I299-W303 VanDerWaalsContact O-CD1 3.3Å; I299-W303 PolarHBondContact O-N 3.37Å
300	L	98.6	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.9	-48.2	173.7	-68.8	172.2	0	0	0	111	F211 I296 K297 F302 W303 L304 F311 F313 F364	F211-L300 HydrophobicContact CD1-CD2 3.89Å; F211-L300 HydrophobicContact CD2-CD2 4.13Å; F211-L300 HydrophobicContact CE1-CD2 3.77Å; F211-L300 HydrophobicContact CE1-CG 4.07Å; F211-L300 HydrophobicContact CE2-CD2 4.07Å; F211-L300 HydrophobicContact CE2-CG 4.47Å; F211-L300 HydrophobicContact CG-CD2 4.04Å; F211-L300 HydrophobicContact CZ-CD2 3.87Å; F211-L300 HydrophobicContact CZ-CG 3.96Å; I296-L300 PolarHBondContact O-N 3.22Å; I296-L300 VanDerWaalsContact O-N 3.1Å; K297-L300 WeakPolarHBondContact O-CB 3.37Å; K297-L300 PolarHBondContact O-N 2.82Å; L300-F302 VanDerWaalsContact C-N 3.29Å; L300-F302 PolarHBondContact O-N 2.77Å; L300-W303 PolarHBondContact O-N 2.98Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.25Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 2.99Å; L300-F311 HydrophobicContact CD2-CD1 4.37Å; L300-F311 HydrophobicContact CD2-CD2 3.88Å; L300-F311 HydrophobicContact CD2-CE1 4.27Å; L300-F311 HydrophobicContact CD2-CE2 3.78Å; L300-F311 HydrophobicContact CD2-CG 4.18Å; L300-F311 HydrophobicContact CD2-CZ 3.99Å; L300-F313 HydrophobicContact CD1-CE1 4.34Å; L300-F313 HydrophobicContact CD1-CZ 4.07Å; L300-F313 HydrophobicContact CD2-CE1 4.18Å; L300-F313 HydrophobicContact CD2-CZ 3.72Å; L300-F364 HydrophobicContact CD1-CB 4.04Å; L300-F364 HydrophobicContact CD1-CD1 3.94Å; L300-F364 HydrophobicContact CD1-CG 4.16Å
301	R	98.8	Very high	98.7	Very high	47 Å²	47	29.1 Å²	29.1	18%	0.177	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-39.4	177.5	-69.6	177	-170.9	118.4	1.7	112.1	E294 K297 E298 I299 T305 T367 Y371	E294-R301 IonicContact OE1-CZ 3.91Å; E294-R301 IonicContact OE1-NH1 2.85Å; E294-R301 PolarHBondContact OE1-NH1 3.03Å; E294-R301 IonicContact OE1-NH2 3.89Å; K297-R301 WeakPolarHBondContact O-CG 3.39Å; K297-R301 PolarHBondContact O-N 2.98Å; E298-R301 PolarHBondContact O-N 3.01Å; E298-R301 IonicContact OE1-CZ 2.87Å; E298-R301 IonicContact OE1-NE 2.77Å; E298-R301 IonicContact OE1-NH1 3.96Å; E298-R301 PolarHBondContact OE1-NH1 2.79Å; I299-R301 VanDerWaalsContact C-N 3.35Å; I299-R301 PolarHBondContact O-N 3.32Å; R301-T305 VanDerWaalsContact O-CB 3.3Å; R301-T305 WeakPolarHBondContact O-CB 3.41Å; R301-T305 PolarHBondContact O-N 2.7Å; R301-T305 PolarHBondContact O-OG1 3.17Å; R301-T367 HydrophobicContact CG-CG2 4.14Å; R301-Y371 HydrophobicContact CG-CE2 4.12Å
302	F	98.9	Very high	98.7	Very high	53 Å²	53	25.9 Å²	25.9	23%	0.232	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-53.3	177.1	172.6	-94.4	0	0	0	111.6	R181 M190 E298 I299 L300 T305 K306	R181-F302 HydrophobicContact CB-CD1 4.22Å; R181-F302 HydrophobicContact CB-CE1 3.94Å; R181-F302 HydrophobicContact CB-CE2 4.34Å; R181-F302 HydrophobicContact CB-CZ 3.99Å; R181-F302 HydrophobicContact CG-CD1 4.13Å; R181-F302 HydrophobicContact CG-CD2 4.48Å; R181-F302 HydrophobicContact CG-CE1 4.36Å; R181-F302 HydrophobicContact CG-CG 4.19Å; M190-F302 HydrophobicContact CE-CE1 4.15Å; M190-F302 HydrophobicContact CE-CZ 3.93Å; E298-F302 PolarHBondContact O-N 3.5Å; I299-F302 WeakPolarHBondContact O-CB 3.48Å; I299-F302 PolarHBondContact O-N 2.9Å; L300-F302 VanDerWaalsContact C-N 3.29Å; L300-F302 PolarHBondContact O-N 2.77Å; F302-T305 WeakPolarHBondContact O-CB 3.48Å; F302-T305 PolarHBondContact O-N 3.46Å; F302-K306 HydrophobicContact CE1-CG 4.43Å; F302-K306 WeakPolarHBondContact O-CG 3.04Å; F302-K306 PolarHBondContact O-N 3.33Å
303	W	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.8	-35.3	-177.9	-70.5	109.6	0	0	0	113.2	F165 Y166 F180 V183 M190 F193 I209 I299 L300 T305 K306 G307 V308 F311	F165-W303 AromaticContact CE2-CH2 3.75Å; F165-W303 HydrophobicContact CE2-CH2 3.75Å; F165-W303 HydrophobicContact CE2-CZ3 4.02Å; F165-W303 HydrophobicContact CZ-CH2 4.27Å; F165-W303 HydrophobicContact CZ-CZ3 4.18Å; Y166-W303 AromaticContact CD1-CZ2 3.87Å; Y166-W303 HydrophobicContact CD1-CZ2 3.87Å; Y166-W303 AromaticContact CE1-CE2 3.61Å; Y166-W303 AromaticContact CE1-CZ2 3.57Å; Y166-W303 HydrophobicContact CE1-CZ2 3.57Å; Y166-W303 AromaticContact CE1-NE1 3.51Å; F180-W303 WeakPolarHBondContact O-CZ2 3.18Å; F180-W303 PolarHBondContact O-NE1 3.28Å; V183-W303 HydrophobicContact CG2-CH2 4.46Å; M190-W303 HydrophobicContact CE-CH2 3.83Å; M190-W303 HydrophobicContact CE-CZ3 4.32Å; M190-W303 HydrophobicContact SD-CH2 4.43Å; M190-W303 HydrophobicContact SD-CZ3 4.35Å; F193-W303 HydrophobicContact CD1-CE3 4.48Å; F193-W303 AromaticContact CD1-CZ3 3.8Å; F193-W303 HydrophobicContact CD1-CZ3 3.8Å; F193-W303 HydrophobicContact CD2-CZ3 4.29Å; F193-W303 AromaticContact CE1-CE3 3.75Å; F193-W303 HydrophobicContact CE1-CE3 3.75Å; F193-W303 AromaticContact CE1-CZ3 3.5Å; F193-W303 HydrophobicContact CE1-CZ3 3.5Å; F193-W303 HydrophobicContact CE2-CE3 4.47Å; F193-W303 HydrophobicContact CE2-CZ3 4.03Å; F193-W303 HydrophobicContact CG-CZ3 4.19Å; F193-W303 AromaticContact CZ-CE3 3.74Å; F193-W303 HydrophobicContact CZ-CE3 3.74Å; F193-W303 AromaticContact CZ-CZ3 3.62Å; F193-W303 HydrophobicContact CZ-CZ3 3.62Å; I209-W303 HydrophobicContact CD1-CB 4.32Å; I209-W303 HydrophobicContact CD1-CD2 4.02Å; I209-W303 HydrophobicContact CD1-CE3 4.14Å; I209-W303 HydrophobicContact CD1-CG 4.09Å; I299-W303 VanDerWaalsContact O-CD1 3.3Å; I299-W303 PolarHBondContact O-N 3.37Å; L300-W303 PolarHBondContact O-N 2.98Å; W303-T305 VanDerWaalsContact C-N 3.29Å; W303-T305 PolarHBondContact O-N 3.07Å; W303-K306 WeakPolarHBondContact O-CB 3.42Å; W303-K306 PolarHBondContact O-N 2.9Å; W303-G307 PolarHBondContact O-N 3.4Å; W303-V308 HydrophobicContact CB-CG2 4.18Å; W303-V308 HydrophobicContact CE3-CG2 4.4Å; W303-V308 WeakPolarHBondContact O-CB 3.01Å; W303-V308 WeakPolarHBondContact O-CG2 3.16Å; W303-V308 PolarHBondContact O-N 2.88Å; W303-F311 HydrophobicContact CB-CE1 3.79Å; W303-F311 HydrophobicContact CB-CZ 3.71Å; W303-F311 HydrophobicContact CG-CE1 4.41Å
304	L	98.8	Very high	98.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-39.5	171.8	-71.3	171.8	0	0	0	111.8	L300 K306 G307 F311 M368 Y371 R379	L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 VanDerWaalsContact O-CG 3.25Å; L300-L304 WeakPolarHBondContact O-CG 3.42Å; L300-L304 PolarHBondContact O-N 2.99Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.08Å; L304-G307 PolarHBondContact O-N 3.08Å; L304-G307 VanDerWaalsContact O-N 3.08Å; L304-F311 HydrophobicContact CD1-CE2 4.37Å; L304-F311 HydrophobicContact CD2-CE2 3.68Å; L304-F311 HydrophobicContact CD2-CZ 4.27Å; L304-F311 HydrophobicContact CG-CE2 3.76Å; L304-F311 HydrophobicContact CG-CZ 4.09Å; L304-M368 HydrophobicContact CD1-CG 4.14Å; L304-Y371 HydrophobicContact CB-CD1 3.78Å; L304-Y371 HydrophobicContact CB-CD2 4.34Å; L304-Y371 HydrophobicContact CB-CE1 3.94Å; L304-Y371 HydrophobicContact CB-CG 3.98Å; L304-Y371 HydrophobicContact CD1-CD2 3.73Å; L304-Y371 HydrophobicContact CD1-CE2 4.23Å; L304-Y371 HydrophobicContact CD1-CG 3.92Å; L304-Y371 HydrophobicContact CG-CG 4.47Å; L304-R379 HydrophobicContact CD2-CB 4.15Å; L304-R379 HydrophobicContact CD2-CG 3.77Å
305	T	98.7	Very high	98.1	Very high	99 Å²	99	20.5 Å²	20.5	61%	0.607	10%	0.102	S	C	*	.	H	α-helix	trans	-65.9	-33.3	176.7	-57.9	0	0	0	0	111.8	R301 F302 W303 G307 Y371	R301-T305 VanDerWaalsContact O-CB 3.3Å; R301-T305 WeakPolarHBondContact O-CB 3.41Å; R301-T305 PolarHBondContact O-N 2.7Å; R301-T305 PolarHBondContact O-OG1 3.17Å; F302-T305 WeakPolarHBondContact O-CB 3.48Å; F302-T305 PolarHBondContact O-N 3.46Å; W303-T305 VanDerWaalsContact C-N 3.29Å; W303-T305 PolarHBondContact O-N 3.07Å; T305-G307 PolarHBondContact O-N 2.78Å; T305-Y371 PolarHBondContact OG1-OH 2.83Å
306	K	98.6	Very high	98	Very high	59 Å²	59	19 Å²	19	26%	0.257	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.5	173.3	-65.3	-77.8	-173.8	-170.9	0	113.7	M190 F193 E194 F302 W303 L304	M190-K306 HydrophobicContact SD-CD 4.25Å; F193-K306 HydrophobicContact CE1-CB 3.93Å; E194-K306 HydrophobicContact CG-CD 4.27Å; E194-K306 IonicContact OE1-NZ 2.79Å; E194-K306 PolarHBondContact OE1-NZ 3.22Å; F302-K306 HydrophobicContact CE1-CG 4.43Å; F302-K306 WeakPolarHBondContact O-CG 3.04Å; F302-K306 PolarHBondContact O-N 3.33Å; W303-K306 WeakPolarHBondContact O-CB 3.42Å; W303-K306 PolarHBondContact O-N 2.9Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.08Å
307	G	98.4	Very high	97.9	Very high	7 Å²	7	20.1 Å²	20.1	7%	0.072	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	5.3	174.8	0	0	0	0	0	115.5	H201 W303 L304 T305 D309	H201-G307 PolarHBondContact CE1-O 3.48Å; W303-G307 PolarHBondContact O-N 3.4Å; L304-G307 PolarHBondContact O-N 3.08Å; L304-G307 VanDerWaalsContact O-N 3.08Å; T305-G307 PolarHBondContact O-N 2.78Å; G307-D309 PolarHBondContact O-N 2.96Å
308	V	98.8	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.			trans	-55.2	134	174.2	173.5	0	0	0	0	110.8	F193 I209 W303 G310 F311 R379	F193-V308 HydrophobicContact CE1-CG2 4.45Å; F193-V308 HydrophobicContact CZ-CG2 3.7Å; I209-V308 HydrophobicContact CD1-CG1 4.3Å; I209-V308 HydrophobicContact CD1-CG2 3.99Å; I209-V308 HydrophobicContact CG1-CG1 4.04Å; W303-V308 HydrophobicContact CB-CG2 4.18Å; W303-V308 HydrophobicContact CE3-CG2 4.4Å; W303-V308 WeakPolarHBondContact O-CB 3.01Å; W303-V308 WeakPolarHBondContact O-CG2 3.16Å; W303-V308 PolarHBondContact O-N 2.88Å; V308-G310 WeakPolarHBondContact CG1-O 3.5Å; V308-F311 HydrophobicContact CG1-CE1 4.16Å; V308-F311 HydrophobicContact CG1-CZ 4.2Å; V308-R379 PolarHBondContact O-NH1 3.49Å
309	D	98.9	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.			trans	-88.9	-10.2	-177.1	-62	-80.3	0	0	0	112.9	W117 H201 K206 L207 G307 R379 F380	W117-D309 HydrophobicContact CH2-CB 4.08Å; W117-D309 HydrophobicContact CZ2-CB 3.93Å; W117-D309 WeakPolarHBondContact CZ2-O 3.34Å; H201-D309 IonicContact CD2-OD2 3.72Å; H201-D309 IonicContact CE1-OD2 2.58Å; H201-D309 IonicContact NE2-OD1 3.68Å; H201-D309 IonicContact NE2-OD2 2.61Å; H201-D309 PolarHBondContact NE2-OD2 2.93Å; K206-D309 WeakPolarHBondContact CA-OD2 3.15Å; K206-D309 HydrophobicContact CB-CB 4.25Å; K206-D309 HydrophobicContact CD-CB 3.91Å; K206-D309 WeakPolarHBondContact CD-OD1 3.43Å; K206-D309 WeakPolarHBondContact CD-OD2 3.43Å; K206-D309 IonicContact NZ-OD1 2.78Å; K206-D309 PolarHBondContact NZ-OD1 3.09Å; L207-D309 PolarHBondContact N-OD2 3.03Å; L207-D309 WeakPolarHBondContact O-CA 2.84Å; L207-D309 WeakPolarHBondContact O-CB 3.49Å; L207-D309 PolarHBondContact O-N 2.9Å; G307-D309 PolarHBondContact O-N 2.96Å; D309-R379 CarbonylContact O-C 3.54Å; D309-R379 VanDerWaalsContact O-CA 3.23Å; D309-R379 WeakPolarHBondContact O-CA 3.46Å; D309-R379 IonicContact OD1-NH1 3.34Å; D309-F380 PolarHBondContact O-N 3.1Å
310	G	98.8	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-179.9	175	0	0	0	0	0	114.3	L207 I208 I209 V308 F380	L207-G310 PolarHBondContact O-N 3.39Å; I208-G310 VanDerWaalsContact CA-O 3.28Å; I208-G310 WeakPolarHBondContact CA-O 3.36Å; I209-G310 PolarHBondContact N-O 2.8Å; V308-G310 WeakPolarHBondContact CG1-O 3.5Å; G310-F380 CarbonylContact C-O 3.57Å; G310-F380 WeakPolarHBondContact CA-O 3.29Å
311	F	98.9	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.5	-178.7	-57.7	-85.5	0	0	0	112.4	I209 F211 L300 W303 L304 V308 F313 M368 F380 G382	I209-F311 HydrophobicContact CD1-CD1 4.28Å; I209-F311 HydrophobicContact CD1-CE1 3.92Å; I209-F311 HydrophobicContact CG1-CD1 3.68Å; I209-F311 HydrophobicContact CG1-CE1 3.82Å; I209-F311 CarbonylContact O-C 3.53Å; I209-F311 VanDerWaalsContact O-CA 3.26Å; I209-F311 WeakPolarHBondContact O-CA 3.31Å; F211-F311 HydrophobicContact CB-CB 4.18Å; F211-F311 HydrophobicContact CB-CD1 4.03Å; F211-F311 HydrophobicContact CB-CG 4.39Å; L300-F311 HydrophobicContact CD2-CD1 4.37Å; L300-F311 HydrophobicContact CD2-CD2 3.88Å; L300-F311 HydrophobicContact CD2-CE1 4.27Å; L300-F311 HydrophobicContact CD2-CE2 3.78Å; L300-F311 HydrophobicContact CD2-CG 4.18Å; L300-F311 HydrophobicContact CD2-CZ 3.99Å; W303-F311 HydrophobicContact CB-CE1 3.79Å; W303-F311 HydrophobicContact CB-CZ 3.71Å; W303-F311 HydrophobicContact CG-CE1 4.41Å; L304-F311 HydrophobicContact CD1-CE2 4.37Å; L304-F311 HydrophobicContact CD2-CE2 3.68Å; L304-F311 HydrophobicContact CD2-CZ 4.27Å; L304-F311 HydrophobicContact CG-CE2 3.76Å; L304-F311 HydrophobicContact CG-CZ 4.09Å; V308-F311 HydrophobicContact CG1-CE1 4.16Å; V308-F311 HydrophobicContact CG1-CZ 4.2Å; F311-F313 HydrophobicContact CB-CD2 4.01Å; F311-F313 HydrophobicContact CB-CE2 3.69Å; F311-F313 HydrophobicContact CB-CZ 4.42Å; F311-F313 HydrophobicContact CG-CE2 4.43Å; F311-M368 HydrophobicContact CD2-CE 3.76Å; F311-M368 HydrophobicContact CD2-SD 4.1Å; F311-M368 HydrophobicContact CE2-CE 4.42Å; F311-F380 PolarHBondContact N-O 2.92Å; F311-G382 PolarHBondContact O-N 3.21Å
312	S	98.6	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.5	158	-171.8	0	0	0	0	108.8	W161 I209 D210 F211 E384 F409	W161-S312 WeakPolarHBondContact CZ2-OG 3.39Å; I209-S312 PolarHBondContact O-N 3.12Å; D210-S312 CarbonylContact C-O 3.57Å; D210-S312 WeakPolarHBondContact CA-O 3.28Å; F211-S312 PolarHBondContact N-O 2.93Å; S312-E384 WeakPolarHBondContact OG-CG 3.13Å; S312-E384 PolarHBondContact OG-OE1 2.99Å; S312-F409 WeakPolarHBondContact OG-CE2 3.42Å
313	F	98.1	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113	178.5	-75.7	-103.8	0	0	0	110.2	F211 P213 L300 F311 V316 F364 M368 M381 G382 T383 E384	F211-F313 AromaticContact CD1-CD1 3.58Å; F211-F313 HydrophobicContact CD1-CD1 3.58Å; F211-F313 AromaticContact CD1-CE1 3.34Å; F211-F313 HydrophobicContact CD1-CE1 3.34Å; F211-F313 HydrophobicContact CD1-CG 4.45Å; F211-F313 HydrophobicContact CD1-CZ 4.06Å; F211-F313 HydrophobicContact CE1-CD1 4.31Å; F211-F313 AromaticContact CE1-CE1 3.79Å; F211-F313 HydrophobicContact CE1-CE1 3.79Å; F211-F313 HydrophobicContact CG-CE1 4.35Å; P213-F313 HydrophobicContact CG-CD1 4.32Å; L300-F313 HydrophobicContact CD1-CE1 4.34Å; L300-F313 HydrophobicContact CD1-CZ 4.07Å; L300-F313 HydrophobicContact CD2-CE1 4.18Å; L300-F313 HydrophobicContact CD2-CZ 3.72Å; F311-F313 HydrophobicContact CB-CD2 4.01Å; F311-F313 HydrophobicContact CB-CE2 3.69Å; F311-F313 HydrophobicContact CB-CZ 4.42Å; F311-F313 HydrophobicContact CG-CE2 4.43Å; F313-V316 HydrophobicContact CB-CG1 3.6Å; F313-F364 AromaticContact CD1-CD2 3.76Å; F313-F364 HydrophobicContact CD1-CD2 3.76Å; F313-F364 HydrophobicContact CD1-CE2 4.12Å; F313-F364 HydrophobicContact CE1-CB 3.9Å; F313-F364 AromaticContact CE1-CD2 3.29Å; F313-F364 HydrophobicContact CE1-CD2 3.29Å; F313-F364 AromaticContact CE1-CE2 3.89Å; F313-F364 HydrophobicContact CE1-CE2 3.89Å; F313-F364 AromaticContact CE1-CG 3.72Å; F313-F364 HydrophobicContact CE1-CG 3.72Å; F313-F364 HydrophobicContact CZ-CB 3.8Å; F313-F364 HydrophobicContact CZ-CD2 4.08Å; F313-F364 HydrophobicContact CZ-CG 4.15Å; F313-M368 HydrophobicContact CE2-SD 3.94Å; F313-M368 HydrophobicContact CZ-SD 4.11Å; F313-M381 HydrophobicContact CD2-CG 3.77Å; F313-M381 HydrophobicContact CD2-SD 4.41Å; F313-M381 HydrophobicContact CE2-CG 3.61Å; F313-M381 HydrophobicContact CE2-SD 3.94Å; F313-M381 HydrophobicContact CZ-SD 4.45Å; F313-G382 PolarHBondContact N-O 3Å; F313-T383 HydrophobicContact CB-CG2 4.28Å; F313-E384 PolarHBondContact O-N 2.81Å
314	D	94	Very high	97.7	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.059	12%	0.12	C	C	.	.			trans	-83.8	150.8	178.7	-172	31.7	0	0	0	111.9	R174 F211 V316	R174-D314 WeakPolarHBondContact CD-OD2 3.24Å; R174-D314 IonicContact NH1-OD1 3.48Å; F211-D314 PolarHBondContact O-N 2.88Å; D314-V316 PolarHBondContact O-N 2.99Å
315	A	92.2	Very high	97.7	Very high	6 Å²	6	25.8 Å²	25.8	5%	0.05	13%	0.129	C	C	.	.	S	Bend	trans	53.9	26.9	170	0	0	0	0	0	116.3	N214 F278 K317 F318	N214-A315 HydrophobicContact CB-CB 4.37Å; F278-A315 HydrophobicContact CE2-CB 4.03Å; F278-A315 HydrophobicContact CZ-CB 3.8Å; A315-K317 PolarHBondContact O-N 2.96Å; A315-K317 VanDerWaalsContact O-N 3.08Å; A315-F318 HydrophobicContact CB-CD2 4.04Å; A315-F318 PolarHBondContact O-N 2.75Å
316	V	95.9	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59.7	-27.8	-173.5	-66.8	0	0	0	0	114.4	F313 D314 F318 L319 M357 V361 T383 A385 Y396	F313-V316 HydrophobicContact CB-CG1 3.6Å; D314-V316 PolarHBondContact O-N 2.99Å; V316-F318 PolarHBondContact O-N 3.34Å; V316-L319 HydrophobicContact CB-CD1 4.19Å; V316-L319 HydrophobicContact CG1-CD1 4.45Å; V316-L319 WeakPolarHBondContact O-CB 3.46Å; V316-L319 WeakPolarHBondContact O-CD1 3.26Å; V316-L319 WeakPolarHBondContact O-CG 3.26Å; V316-L319 PolarHBondContact O-N 3.08Å; V316-M357 VanDerWaalsContact O-CG 3.3Å; V316-M357 WeakPolarHBondContact O-CG 3.47Å; V316-V361 HydrophobicContact CB-CG2 4.25Å; V316-V361 HydrophobicContact CG1-CG2 4.42Å; V316-T383 HydrophobicContact CG1-CG2 4.38Å; V316-T383 HydrophobicContact CG2-CG2 4.35Å; V316-A385 HydrophobicContact CG2-CB 4.45Å; V316-Y396 HydrophobicContact CB-CE1 4.45Å; V316-Y396 HydrophobicContact CG2-CD1 4.36Å; V316-Y396 HydrophobicContact CG2-CE1 3.54Å
317	K	96.8	Very high	97.6	Very high	24 Å²	24	29.8 Å²	29.8	10%	0.104	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-67	-18	178.5	74.8	-179	-173.5	179.3	0	113.9	A315 T352 T353 Y386 E388	A315-K317 PolarHBondContact O-N 2.96Å; A315-K317 VanDerWaalsContact O-N 3.08Å; K317-T352 CarbonylContact O-C 3.55Å; K317-T352 WeakPolarHBondContact O-CA 3.25Å; K317-T353 PolarHBondContact O-N 3Å; K317-Y386 PolarHBondContact NZ-O 3.06Å; K317-E388 WeakPolarHBondContact CB-OE1 3.45Å; K317-E388 HydrophobicContact CD-CG 3.95Å; K317-E388 WeakPolarHBondContact CD-OE1 3.34Å
318	F	98.1	Very high	97.6	Very high	15 Å²	15	29.8 Å²	29.8	7%	0.066	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-96	2.1	-177.8	-63.1	-71.9	0	0	0	113.4	N214 V258 Q277 F278 A315 V316 L320 Y343 T352	N214-F318 WeakPolarHBondContact OD1-CB 3.47Å; N214-F318 PolarHBondContact OD1-O 2.81Å; V258-F318 HydrophobicContact CG2-CE1 4.11Å; V258-F318 HydrophobicContact CG2-CZ 3.9Å; Q277-F318 HydrophobicContact CG-CB 4.21Å; Q277-F318 HydrophobicContact CG-CD1 4.21Å; F278-F318 HydrophobicContact CE1-CE2 4.31Å; F278-F318 AromaticContact CZ-CD2 3.82Å; F278-F318 HydrophobicContact CZ-CD2 3.82Å; F278-F318 AromaticContact CZ-CE2 4Å; F278-F318 HydrophobicContact CZ-CE2 4Å; F278-F318 HydrophobicContact CZ-CG 4.46Å; A315-F318 HydrophobicContact CB-CD2 4.04Å; A315-F318 PolarHBondContact O-N 2.75Å; V316-F318 PolarHBondContact O-N 3.34Å; F318-L320 PolarHBondContact O-N 2.99Å; F318-L320 VanDerWaalsContact O-N 3.09Å; F318-Y343 WeakPolarHBondContact CE1-OH 3.46Å; F318-T352 HydrophobicContact CD1-CG2 3.83Å; F318-T352 HydrophobicContact CE1-CG2 3.55Å; F318-T352 HydrophobicContact CZ-CG2 4.43Å
319	L	97.9	Very high	97.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-63	-19.3	-173.9	-72.9	171.7	0	0	0	115.6	P213 N214 F287 V316 M357 I360 V361 F364	P213-L319 HydrophobicContact CB-CD2 4.02Å; P213-L319 HydrophobicContact CG-CD2 3.96Å; N214-L319 PolarHBondContact OD1-N 3.15Å; F287-L319 WeakPolarHBondContact CB-O 3.46Å; F287-L319 HydrophobicContact CD2-CB 4.48Å; F287-L319 HydrophobicContact CD2-CD2 3.75Å; F287-L319 HydrophobicContact CE1-CD2 4.23Å; F287-L319 HydrophobicContact CE2-CD2 3.39Å; F287-L319 HydrophobicContact CG-CD2 4.31Å; F287-L319 HydrophobicContact CZ-CD2 3.66Å; V316-L319 HydrophobicContact CB-CD1 4.19Å; V316-L319 HydrophobicContact CG1-CD1 4.45Å; V316-L319 WeakPolarHBondContact O-CB 3.46Å; V316-L319 WeakPolarHBondContact O-CD1 3.26Å; V316-L319 WeakPolarHBondContact O-CG 3.26Å; V316-L319 PolarHBondContact O-N 3.08Å; L319-M357 HydrophobicContact CB-CG 4.18Å; L319-M357 HydrophobicContact CD1-CG 4.39Å; L319-I360 HydrophobicContact CD1-CG2 4.18Å; L319-V361 HydrophobicContact CD1-CG2 4.3Å; L319-F364 HydrophobicContact CD1-CE2 4.45Å
320	L	98.6	Very high	97.6	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	16%	0.162	C	C	.	.			trans	-144.3	139.4	-175.6	-73.9	179.8	0	0	0	111.1	F287 R288 F318 Q354 M357 I360	F287-L320 HydrophobicContact CB-CD2 3.9Å; R288-L320 HydrophobicContact CG-CD2 3.83Å; F318-L320 PolarHBondContact O-N 2.99Å; F318-L320 VanDerWaalsContact O-N 3.09Å; L320-Q354 HydrophobicContact CB-CB 3.9Å; L320-Q354 HydrophobicContact CB-CG 4.44Å; L320-Q354 WeakPolarHBondContact O-CG 3.4Å; L320-M357 HydrophobicContact CD1-CB 4.32Å; L320-I360 HydrophobicContact CD1-CD1 3.77Å; L320-I360 HydrophobicContact CD2-CD1 4.1Å; L320-I360 HydrophobicContact CG-CD1 3.82Å
321	E	98.6	Very high	97.5	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.065	18%	0.182	C	C	.	.			trans	-119.1	163.1	173.2	-51.7	68.3	-146.8	0	0	111.6	I238 W255 F275 Q277 R288 K323 F350 T351	I238-E321 VanDerWaalsContact CD1-OE2 3.23Å; I238-E321 WeakPolarHBondContact CD1-OE2 3.45Å; W255-E321 HydrophobicContact CH2-CB 3.75Å; W255-E321 HydrophobicContact CZ3-CB 3.77Å; W255-E321 HydrophobicContact CZ3-CG 4.1Å; F275-E321 HydrophobicContact CD1-CG 4.31Å; F275-E321 VanDerWaalsContact CE1-CD 3.41Å; F275-E321 HydrophobicContact CE1-CG 3.49Å; F275-E321 VanDerWaalsContact CE1-CG 3.49Å; F275-E321 WeakPolarHBondContact CE1-OE1 3.2Å; F275-E321 HydrophobicContact CZ-CG 3.68Å; Q277-E321 PolarHBondContact NE2-OE1 3.34Å; R288-E321 PolarHBondContact NH2-O 3.26Å; E321-K323 PolarHBondContact O-N 3.3Å; E321-F350 CarbonylContact C-O 3.38Å; E321-F350 VanDerWaalsContact CA-O 3.28Å; E321-F350 WeakPolarHBondContact CA-O 3.26Å; E321-T351 HydrophobicContact CG-CG2 4.35Å
322	A	98.4	Very high	97.4	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.041	20%	0.201	C	C	.	.			trans	-73.5	117	-179.6	0	0	0	0	0	112.3	W255 H324 L325 F350	W255-A322 WeakPolarHBondContact CH2-O 3.44Å; A322-H324 WeakPolarHBondContact CB-NE2 3.37Å; A322-H324 PolarHBondContact O-N 2.74Å; A322-L325 PolarHBondContact O-N 3.26Å; A322-F350 HydrophobicContact CB-CB 3.72Å; A322-F350 HydrophobicContact CB-CD1 3.93Å; A322-F350 HydrophobicContact CB-CG 4.1Å; A322-F350 PolarHBondContact N-O 3.49Å
323	K	96.9	Very high	97.2	Very high	179 Å²	179	50 Å²	50	78%	0.778	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.7	-178.8	67.6	178.9	179.3	-179.5	0	116.2	E321 L325	E321-K323 PolarHBondContact O-N 3.3Å; K323-L325 VanDerWaalsContact C-N 3.26Å
324	H	97.8	Very high	97.2	Very high	74 Å²	74	56 Å²	56	34%	0.343	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.3	179.1	62.4	60.6	0	0	0	112.7	A322 R326 F350	A322-H324 WeakPolarHBondContact CB-NE2 3.37Å; A322-H324 PolarHBondContact O-N 2.74Å; H324-R326 PolarHBondContact CD2-NH2 2.88Å; H324-R326 PolarHBondContact CE1-NE 3.4Å; H324-R326 PolarHBondContact CE1-NH2 3.04Å; H324-R326 WeakPolarHBondContact ND1-CB 3.46Å; H324-R326 VanDerWaalsContact ND1-CG 3.34Å; H324-R326 WeakPolarHBondContact ND1-CG 3.32Å; H324-R326 PolarHBondContact ND1-N 3.19Å; H324-R326 PolarHBondContact ND1-NE 3.48Å; H324-R326 PolarHBondContact NE2-NH2 3.49Å; H324-R326 PolarHBondContact O-N 3.01Å; H324-R326 VanDerWaalsContact O-N 3.08Å; H324-F350 AromaticContact CE1-CD1 3.56Å; H324-F350 AromaticContact CE1-CE1 3.62Å; H324-F350 AromaticContact CE1-CG 3.82Å; H324-F350 AromaticContact CE1-CZ 3.92Å; H324-F350 AromaticContact NE2-CD1 3.64Å; H324-F350 AromaticContact NE2-CE1 3.62Å
325	L	97.9	Very high	97.3	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.199	28%	0.28	C	S	.	.			trans	49.2	38	174.5	-57.9	-175.9	0	0	0	114.4	H240 N253 W255 W264 A322 K323	H240-L325 VanDerWaalsContact CE1-CD1 3.41Å; H240-L325 WeakPolarHBondContact CE1-CD1 3.28Å; H240-L325 WeakPolarHBondContact ND1-CD1 3.32Å; N253-L325 PolarHBondContact ND2-O 3.5Å; W255-L325 HydrophobicContact CH2-CD2 3.56Å; W255-L325 HydrophobicContact CZ2-CD2 4.29Å; W255-L325 HydrophobicContact CZ3-CD2 3.82Å; W264-L325 HydrophobicContact CH2-CD2 4.36Å; W264-L325 HydrophobicContact CZ2-CD2 4.1Å; A322-L325 PolarHBondContact O-N 3.26Å; K323-L325 VanDerWaalsContact C-N 3.26Å
326	R	98.4	Very high	97.4	Very high	147 Å²	147	62.4 Å²	62.4	56%	0.555	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-78.6	153.1	176.1	-74.6	-177.1	-72.4	-109.6	2.7	108.7	W255 H324 F350	W255-R326 PolarHBondContact NE1-O 2.98Å; H324-R326 PolarHBondContact CD2-NH2 2.88Å; H324-R326 PolarHBondContact CE1-NE 3.4Å; H324-R326 PolarHBondContact CE1-NH2 3.04Å; H324-R326 WeakPolarHBondContact ND1-CB 3.46Å; H324-R326 VanDerWaalsContact ND1-CG 3.34Å; H324-R326 WeakPolarHBondContact ND1-CG 3.32Å; H324-R326 PolarHBondContact ND1-N 3.19Å; H324-R326 PolarHBondContact ND1-NE 3.48Å; H324-R326 PolarHBondContact NE2-NH2 3.49Å; H324-R326 PolarHBondContact O-N 3.01Å; H324-R326 VanDerWaalsContact O-N 3.08Å; R326-F350 HydrophobicContact CB-CE2 4.17Å
327	D	98.4	Very high	97.4	Very high	95 Å²	95	66.3 Å²	66.3	51%	0.508	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-59	140.2	172	-69.2	-18.1	0	0	0	111.4	N253 N254 F350	N253-D327 WeakPolarHBondContact CA-OD1 3.47Å; N253-D327 VanDerWaalsContact CB-OD1 3.29Å; N253-D327 WeakPolarHBondContact CB-OD1 3.24Å; N254-D327 HydrophobicContact CB-CB 4.42Å; N254-D327 PolarHBondContact N-OD1 2.97Å; N254-D327 WeakPolarHBondContact OD1-CA 3.38Å; N254-D327 WeakPolarHBondContact OD1-CB 3.34Å; D327-F350 WeakPolarHBondContact O-CE2 3.24Å
328	E	98.4	Very high	97.2	Very high	7 Å²	7	72.3 Å²	72.3	3%	0.033	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.5	155	168.2	-66.2	-72.2	-159.7	0	0	110.2	N254 W255 L346 Y347 H348 D349 F350 T351	N254-E328 PolarHBondContact ND2-O 2.97Å; N254-E328 VanDerWaalsContact ND2-O 3.08Å; N254-E328 PolarHBondContact OD1-N 3.49Å; W255-E328 HydrophobicContact CG-CG 4.47Å; E328-L346 HydrophobicContact CB-CB 4.22Å; E328-L346 HydrophobicContact CB-CD1 4.16Å; E328-L346 HydrophobicContact CB-CD2 4.36Å; E328-L346 HydrophobicContact CB-CG 4.49Å; E328-Y347 WeakPolarHBondContact CB-O 3.4Å; E328-Y347 VanDerWaalsContact CD-O 3.25Å; E328-H348 WeakPolarHBondContact OE1-CA 3.37Å; E328-D349 PolarHBondContact OE1-N 2.9Å; E328-D349 PolarHBondContact OE2-N 2.88Å; E328-F350 WeakPolarHBondContact OE1-CA 3.46Å; E328-F350 WeakPolarHBondContact OE1-CB 3.43Å; E328-F350 PolarHBondContact OE1-N 3.29Å; E328-F350 WeakPolarHBondContact OE2-CD2 3.33Å; E328-F350 PolarHBondContact OE2-N 3.38Å; E328-F350 VanDerWaalsContact OE2-N 3.09Å; E328-T351 PolarHBondContact OE1-N 2.89Å; E328-T351 VanDerWaalsContact OE1-N 3.12Å; E328-T351 PolarHBondContact OE1-OG1 3.31Å
329	I	98.2	Very high	97	Very high	79 Å²	79	75.2 Å²	75.2	41%	0.405	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125	178.8	-59.6	174	0	0	0	109.2	Y347	I329-Y347 HydrophobicContact CB-CD2 4.34Å; I329-Y347 HydrophobicContact CG2-CD2 4.17Å; I329-Y347 PolarHBondContact O-N 3.48Å
330	Q	98.1	Very high	97	Very high	28 Å²	28	75.9 Å²	75.9	13%	0.131	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.1	170.8	-72	172.7	-144.7	0	0	111.7	N332 Q335 V340 L346	Q330-N332 PolarHBondContact NE2-O 3.19Å; Q330-Q335 PolarHBondContact NE2-O 2.86Å; Q330-V340 HydrophobicContact CG-CG2 4.22Å; Q330-L346 HydrophobicContact CB-CD2 4.44Å; Q330-L346 HydrophobicContact CG-CD2 3.83Å
331	V	97.3	Very high	96.8	Very high	70 Å²	70	78 Å²	78	42%	0.424	40%	0.399	S	S	.	.	S	Bend	trans	-60	-49.5	170.4	176.1	0	0	0	0	109.6	E345 Y347	V331-E345 PolarHBondContact N-O 2.85Å; V331-Y347 HydrophobicContact CB-CE2 4.29Å; V331-Y347 HydrophobicContact CG2-CD1 4.36Å; V331-Y347 HydrophobicContact CG2-CD2 4.13Å; V331-Y347 HydrophobicContact CG2-CE1 4.16Å; V331-Y347 HydrophobicContact CG2-CE2 3.94Å; V331-Y347 HydrophobicContact CG2-CG 4.35Å
332	N	96.4	Very high	96.7	Very high	77 Å²	77	82.6 Å²	82.6	41%	0.412	42%	0.421	S	S	.	.	S	Bend	trans	-96.9	99	168.8	-175.8	-3.4	0	0	0	111	Q330 T334 Q335	Q330-N332 PolarHBondContact NE2-O 3.19Å; N332-T334 PolarHBondContact O-N 2.87Å; N332-T334 PolarHBondContact OD1-N 2.94Å; N332-T334 PolarHBondContact OD1-OG1 3.32Å; N332-Q335 HydrophobicContact CB-CB 4.14Å; N332-Q335 WeakPolarHBondContact O-CB 3.39Å; N332-Q335 PolarHBondContact O-N 3.4Å; N332-Q335 VanDerWaalsContact O-N 3.12Å
333	K	95.6	Very high	96.6	Very high	171 Å²	171	84.5 Å²	84.5	74%	0.743	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.1	-179.5	-61.5	-178	-178.9	178.9	0	115.1
334	T	96.4	Very high	96.6	Very high	125 Å²	125	80.7 Å²	80.7	77%	0.767	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.6	178.9	64.2	0	0	0	0	113.5	N332	N332-T334 PolarHBondContact O-N 2.87Å; N332-T334 PolarHBondContact OD1-N 2.94Å; N332-T334 PolarHBondContact OD1-OG1 3.32Å
335	Q	96.1	Very high	96.6	Very high	41 Å²	41	79.1 Å²	79.1	19%	0.192	42%	0.416	C	S	.	.	S	Bend	trans	-67.2	140	175.6	-175.7	173	3.4	0	0	110.1	Q330 N332 T339 V340 E345	Q330-Q335 PolarHBondContact NE2-O 2.86Å; N332-Q335 HydrophobicContact CB-CB 4.14Å; N332-Q335 WeakPolarHBondContact O-CB 3.39Å; N332-Q335 PolarHBondContact O-N 3.4Å; N332-Q335 VanDerWaalsContact O-N 3.12Å; Q335-T339 WeakPolarHBondContact CG-OG1 3.35Å; Q335-T339 PolarHBondContact NE2-OG1 3.12Å; Q335-V340 HydrophobicContact CB-CG2 4.48Å; Q335-V340 HydrophobicContact CG-CG2 3.86Å; Q335-E345 PolarHBondContact NE2-OE1 3.17Å
336	I	96.2	Very high	96.6	Very high	110 Å²	110	77.6 Å²	77.6	56%	0.564	41%	0.408	S	S	*	.			trans	-69.1	126.1	178	-61.5	172.8	0	0	0	108.1	D338 T339	I336-D338 VanDerWaalsContact C-N 3.26Å; I336-D338 HydrophobicContact CG2-CB 4.38Å; I336-D338 PolarHBondContact O-N 2.86Å; I336-D338 VanDerWaalsContact O-N 3.16Å; I336-T339 HydrophobicContact CB-CG2 4.36Å; I336-T339 PolarHBondContact O-N 3.2Å; I336-T339 PolarHBondContact O-OG1 2.96Å
337	P	94.6	Very high	96.6	Very high	82 Å²	82	76.4 Å²	76.4	53%	0.532	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-52.9	-39.1	-174.6	-29.7	35.3	0	0	0	114.4	T339 V340	P337-T339 PolarHBondContact O-N 2.94Å; P337-V340 WeakPolarHBondContact O-CB 3.49Å; P337-V340 PolarHBondContact O-N 3.35Å
338	D	92.5	Very high	96.5	Very high	151 Å²	151	73.4 Å²	73.4	81%	0.807	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-62.2	-14.9	179.5	-60.6	-16.8	0	0	0	114.1	I336	I336-D338 VanDerWaalsContact C-N 3.26Å; I336-D338 HydrophobicContact CG2-CB 4.38Å; I336-D338 PolarHBondContact O-N 2.86Å; I336-D338 VanDerWaalsContact O-N 3.16Å
339	T	95.1	Very high	96.5	Very high	75 Å²	75	76.9 Å²	76.9	46%	0.46	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-97.6	-8.8	178.1	66	0	0	0	0	113.3	Q335 I336 P337 T341	Q335-T339 WeakPolarHBondContact CG-OG1 3.35Å; Q335-T339 PolarHBondContact NE2-OG1 3.12Å; I336-T339 HydrophobicContact CB-CG2 4.36Å; I336-T339 PolarHBondContact O-N 3.2Å; I336-T339 PolarHBondContact O-OG1 2.96Å; P337-T339 PolarHBondContact O-N 2.94Å; T339-T341 PolarHBondContact O-N 3.03Å
340	V	96.6	Very high	96.5	Very high	16 Å²	16	75.1 Å²	75.1	10%	0.097	40%	0.396	C	S	.	.			trans	-80.6	107.8	-178.7	-178.7	0	0	0	0	108.3	L256 Q330 Q335 P337 E345 L346	L256-V340 HydrophobicContact CD1-CG1 4.06Å; Q330-V340 HydrophobicContact CG-CG2 4.22Å; Q335-V340 HydrophobicContact CB-CG2 4.48Å; Q335-V340 HydrophobicContact CG-CG2 3.86Å; P337-V340 WeakPolarHBondContact O-CB 3.49Å; P337-V340 PolarHBondContact O-N 3.35Å; V340-E345 HydrophobicContact CG1-CB 3.82Å; V340-L346 HydrophobicContact CG1-CD2 3.86Å; V340-L346 HydrophobicContact CG1-CG 4.04Å
341	T	95.7	Very high	96.5	Very high	54 Å²	54	74 Å²	74	33%	0.331	39%	0.391	S	S	.	.			trans	-139.3	-16.3	-171.7	54	0	0	0	0	113.5	G260 N261 T339 E345	G260-T341 WeakPolarHBondContact CA-O 3.5Å; N261-T341 PolarHBondContact N-O 2.73Å; T339-T341 PolarHBondContact O-N 3.03Å; T341-E345 PolarHBondContact N-OE2 3.07Å
342	Q	96.7	Very high	96.5	Very high	111 Å²	111	71.4 Å²	71.4	52%	0.519	38%	0.375	S	S	.	.	S	Bend	trans	-95	137.4	178.5	-60.9	-64.3	-26.3	0	0	109.9	L256 S344 E345	L256-Q342 VanDerWaalsContact CD1-O 3.25Å; L256-Q342 WeakPolarHBondContact CD1-O 3.28Å; Q342-S344 PolarHBondContact O-N 3.42Å; Q342-S344 VanDerWaalsContact O-N 3.16Å; Q342-E345 HydrophobicContact CB-CG 3.99Å; Q342-E345 WeakPolarHBondContact CB-OE2 3.23Å; Q342-E345 PolarHBondContact N-OE2 3.25Å; Q342-E345 WeakPolarHBondContact O-CB 3.48Å; Q342-E345 PolarHBondContact O-N 3.44Å
343	Y	96.3	Very high	96.5	Very high	44 Å²	44	69.2 Å²	69.2	17%	0.173	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-52.6	-42.7	-176.4	-170.8	-108.5	0	0	0	112.1	S257 V258 F318 E345 L346 H348	S257-Y343 WeakPolarHBondContact O-CD2 3.41Å; V258-Y343 HydrophobicContact CG2-CD2 4.36Å; V258-Y343 HydrophobicContact CG2-CE1 4.42Å; V258-Y343 HydrophobicContact CG2-CE2 3.91Å; F318-Y343 WeakPolarHBondContact CE1-OH 3.46Å; Y343-E345 PolarHBondContact O-N 3.33Å; Y343-L346 PolarHBondContact O-N 3.15Å; Y343-H348 AromaticContact CD1-CE1 3.88Å; Y343-H348 AromaticContact CD1-NE2 3.36Å; Y343-H348 WeakPolarHBondContact CD1-NE2 3.1Å; Y343-H348 AromaticContact CD2-CE1 3.34Å; Y343-H348 WeakPolarHBondContact CD2-CE1 3.38Å; Y343-H348 AromaticContact CD2-NE2 3.73Å; Y343-H348 AromaticContact CE1-CD2 3.5Å; Y343-H348 AromaticContact CE1-CE1 3.72Å; Y343-H348 AromaticContact CE1-NE2 3.15Å; Y343-H348 WeakPolarHBondContact CE1-NE2 3.21Å; Y343-H348 AromaticContact CE2-CE1 3.17Å; Y343-H348 WeakPolarHBondContact CE2-CE1 3.33Å; Y343-H348 AromaticContact CE2-ND1 3.5Å; Y343-H348 WeakPolarHBondContact CE2-ND1 3.43Å; Y343-H348 AromaticContact CE2-NE2 3.56Å; Y343-H348 AromaticContact CG-CE1 3.69Å; Y343-H348 AromaticContact CG-NE2 3.64Å; Y343-H348 AromaticContact CZ-CD2 3.43Å; Y343-H348 VanDerWaalsContact CZ-CD2 3.43Å; Y343-H348 AromaticContact CZ-CE1 3.35Å; Y343-H348 AromaticContact CZ-CG 3.65Å; Y343-H348 AromaticContact CZ-ND1 3.6Å; Y343-H348 AromaticContact CZ-NE2 3.24Å; Y343-H348 PolarHBondContact O-CE1 3Å; Y343-H348 PolarHBondContact O-NE2 3.41Å; Y343-H348 PolarHBondContact OH-CD2 2.69Å
344	S	96.2	Very high	96.6	Very high	99 Å²	99	62.8 Å²	62.8	69%	0.692	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67	-5.8	-179.3	57.5	0	0	0	0	116	Q342 L346	Q342-S344 PolarHBondContact O-N 3.42Å; Q342-S344 VanDerWaalsContact O-N 3.16Å; S344-L346 VanDerWaalsContact C-N 3.32Å
345	E	97.4	Very high	96.7	Very high	42 Å²	42	63.6 Å²	63.6	20%	0.196	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-84.4	-7.5	178.5	-64.2	176.1	123.1	0	0	112.9	V331 Q335 V340 T341 Q342 Y343	V331-E345 PolarHBondContact N-O 2.85Å; Q335-E345 PolarHBondContact NE2-OE1 3.17Å; V340-E345 HydrophobicContact CG1-CB 3.82Å; T341-E345 PolarHBondContact N-OE2 3.07Å; Q342-E345 HydrophobicContact CB-CG 3.99Å; Q342-E345 WeakPolarHBondContact CB-OE2 3.23Å; Q342-E345 PolarHBondContact N-OE2 3.25Å; Q342-E345 WeakPolarHBondContact O-CB 3.48Å; Q342-E345 PolarHBondContact O-N 3.44Å; Y343-E345 PolarHBondContact O-N 3.33Å
346	L	98	Very high	96.7	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149.2	178.7	-62.4	178.3	0	0	0	111.7	N254 L256 E328 Q330 V340 Y343 S344 H348	N254-L346 WeakPolarHBondContact O-CD1 2.98Å; L256-L346 HydrophobicContact CB-CD1 4.24Å; L256-L346 HydrophobicContact CD1-CD1 3.75Å; L256-L346 HydrophobicContact CD1-CG 4.16Å; L256-L346 HydrophobicContact CG-CD1 3.69Å; E328-L346 HydrophobicContact CB-CB 4.22Å; E328-L346 HydrophobicContact CB-CD1 4.16Å; E328-L346 HydrophobicContact CB-CD2 4.36Å; E328-L346 HydrophobicContact CB-CG 4.49Å; Q330-L346 HydrophobicContact CB-CD2 4.44Å; Q330-L346 HydrophobicContact CG-CD2 3.83Å; V340-L346 HydrophobicContact CG1-CD2 3.86Å; V340-L346 HydrophobicContact CG1-CG 4.04Å; Y343-L346 PolarHBondContact O-N 3.15Å; S344-L346 VanDerWaalsContact C-N 3.32Å; L346-H348 PolarHBondContact O-NE2 3.31Å
347	Y	97.6	Very high	96.8	Very high	122 Å²	122	57.6 Å²	57.6	48%	0.478	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.3	160.4	-66.5	-68	0	0	0	108.8	E328 I329 V331 D349	E328-Y347 WeakPolarHBondContact CB-O 3.4Å; E328-Y347 VanDerWaalsContact CD-O 3.25Å; I329-Y347 HydrophobicContact CB-CD2 4.34Å; I329-Y347 HydrophobicContact CG2-CD2 4.17Å; I329-Y347 PolarHBondContact O-N 3.48Å; V331-Y347 HydrophobicContact CB-CE2 4.29Å; V331-Y347 HydrophobicContact CG2-CD1 4.36Å; V331-Y347 HydrophobicContact CG2-CD2 4.13Å; V331-Y347 HydrophobicContact CG2-CE1 4.16Å; V331-Y347 HydrophobicContact CG2-CE2 3.94Å; V331-Y347 HydrophobicContact CG2-CG 4.35Å; Y347-D349 VanDerWaalsContact C-N 3.31Å; Y347-D349 PolarHBondContact O-N 3.27Å; Y347-D349 VanDerWaalsContact O-N 3.15Å
348	H	97.4	Very high	97	Very high	32 Å²	32	54.7 Å²	54.7	15%	0.148	30%	0.297	C	S	.	.			trans	-91.5	55.9	-172.2	-54.3	-68.4	0	0	0	112.8	E328 Y343 L346 F350 T352	E328-H348 WeakPolarHBondContact OE1-CA 3.37Å; Y343-H348 AromaticContact CD1-CE1 3.88Å; Y343-H348 AromaticContact CD1-NE2 3.36Å; Y343-H348 WeakPolarHBondContact CD1-NE2 3.1Å; Y343-H348 AromaticContact CD2-CE1 3.34Å; Y343-H348 WeakPolarHBondContact CD2-CE1 3.38Å; Y343-H348 AromaticContact CD2-NE2 3.73Å; Y343-H348 AromaticContact CE1-CD2 3.5Å; Y343-H348 AromaticContact CE1-CE1 3.72Å; Y343-H348 AromaticContact CE1-NE2 3.15Å; Y343-H348 WeakPolarHBondContact CE1-NE2 3.21Å; Y343-H348 AromaticContact CE2-CE1 3.17Å; Y343-H348 WeakPolarHBondContact CE2-CE1 3.33Å; Y343-H348 AromaticContact CE2-ND1 3.5Å; Y343-H348 WeakPolarHBondContact CE2-ND1 3.43Å; Y343-H348 AromaticContact CE2-NE2 3.56Å; Y343-H348 AromaticContact CG-CE1 3.69Å; Y343-H348 AromaticContact CG-NE2 3.64Å; Y343-H348 AromaticContact CZ-CD2 3.43Å; Y343-H348 VanDerWaalsContact CZ-CD2 3.43Å; Y343-H348 AromaticContact CZ-CE1 3.35Å; Y343-H348 AromaticContact CZ-CG 3.65Å; Y343-H348 AromaticContact CZ-ND1 3.6Å; Y343-H348 AromaticContact CZ-NE2 3.24Å; Y343-H348 PolarHBondContact O-CE1 3Å; Y343-H348 PolarHBondContact O-NE2 3.41Å; Y343-H348 PolarHBondContact OH-CD2 2.69Å; L346-H348 PolarHBondContact O-NE2 3.31Å; H348-F350 VanDerWaalsContact C-N 3.32Å; H348-T352 HydrophobicContact CB-CG2 4.04Å; H348-T352 PolarHBondContact O-OG1 3.01Å
349	D	97.4	Very high	97.3	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.5	-174.6	-69.4	-29.5	0	0	0	112.7	E328 Y347 Q354	E328-D349 PolarHBondContact OE1-N 2.9Å; E328-D349 PolarHBondContact OE2-N 2.88Å; Y347-D349 VanDerWaalsContact C-N 3.31Å; Y347-D349 PolarHBondContact O-N 3.27Å; Y347-D349 VanDerWaalsContact O-N 3.15Å; D349-Q354 PolarHBondContact O-NE2 3.08Å
350	F	98.5	Very high	97.4	Very high	43 Å²	43	49 Å²	49	19%	0.189	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-11.3	-176.6	-59.9	-43.4	0	0	0	114.1	W255 E321 A322 H324 R326 D327 E328 H348	W255-F350 HydrophobicContact CZ2-CB 3.93Å; E321-F350 CarbonylContact C-O 3.38Å; E321-F350 VanDerWaalsContact CA-O 3.28Å; E321-F350 WeakPolarHBondContact CA-O 3.26Å; A322-F350 HydrophobicContact CB-CB 3.72Å; A322-F350 HydrophobicContact CB-CD1 3.93Å; A322-F350 HydrophobicContact CB-CG 4.1Å; A322-F350 PolarHBondContact N-O 3.49Å; H324-F350 AromaticContact CE1-CD1 3.56Å; H324-F350 AromaticContact CE1-CE1 3.62Å; H324-F350 AromaticContact CE1-CG 3.82Å; H324-F350 AromaticContact CE1-CZ 3.92Å; H324-F350 AromaticContact NE2-CD1 3.64Å; H324-F350 AromaticContact NE2-CE1 3.62Å; R326-F350 HydrophobicContact CB-CE2 4.17Å; D327-F350 WeakPolarHBondContact O-CE2 3.24Å; E328-F350 WeakPolarHBondContact OE1-CA 3.46Å; E328-F350 WeakPolarHBondContact OE1-CB 3.43Å; E328-F350 PolarHBondContact OE1-N 3.29Å; E328-F350 WeakPolarHBondContact OE2-CD2 3.33Å; E328-F350 PolarHBondContact OE2-N 3.38Å; E328-F350 VanDerWaalsContact OE2-N 3.09Å; H348-F350 VanDerWaalsContact C-N 3.32Å
351	T	97.9	Very high	97.5	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.025	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-0.4	-173.5	48.5	0	0	0	0	114	W255 F275 Q277 E321 E328	W255-T351 HydrophobicContact CB-CG2 4.41Å; W255-T351 HydrophobicContact CD2-CG2 3.45Å; W255-T351 VanDerWaalsContact CD2-CG2 3.45Å; W255-T351 HydrophobicContact CE3-CG2 3.65Å; W255-T351 HydrophobicContact CG-CG2 3.84Å; W255-T351 HydrophobicContact CH2-CG2 4.29Å; W255-T351 HydrophobicContact CZ2-CG2 4.17Å; W255-T351 HydrophobicContact CZ3-CG2 4.06Å; F275-T351 HydrophobicContact CZ-CG2 4.48Å; Q277-T351 PolarHBondContact NE2-O 3.25Å; E321-T351 HydrophobicContact CG-CG2 4.35Å; E328-T351 PolarHBondContact OE1-N 2.89Å; E328-T351 VanDerWaalsContact OE1-N 3.12Å; E328-T351 PolarHBondContact OE1-OG1 3.31Å
352	T	97.5	Very high	97.7	Very high	15 Å²	15	48 Å²	48	9%	0.092	25%	0.252	C	S	.	.	S	Bend	trans	-135.5	150.7	174.8	65.6	0	0	0	0	112.4	K317 F318 H348 Q354	K317-T352 CarbonylContact O-C 3.55Å; K317-T352 WeakPolarHBondContact O-CA 3.25Å; F318-T352 HydrophobicContact CD1-CG2 3.83Å; F318-T352 HydrophobicContact CE1-CG2 3.55Å; F318-T352 HydrophobicContact CZ-CG2 4.43Å; H348-T352 HydrophobicContact CB-CG2 4.04Å; H348-T352 PolarHBondContact O-OG1 3.01Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 3.44Å; T352-Q354 VanDerWaalsContact O-N 3.12Å; T352-Q354 PolarHBondContact O-NE2 3.18Å
353	T	96.3	Very high	97.7	Very high	32 Å²	32	43.4 Å²	43.4	20%	0.196	23%	0.232	C	C	.	.	S	Bend	trans	50.6	42.2	169.8	-36.1	0	0	0	0	113.5	K317 M357 R392	K317-T353 PolarHBondContact O-N 3Å; T353-M357 HydrophobicContact CG2-CE 4.03Å; T353-R392 PolarHBondContact OG1-NH1 2.99Å
354	Q	98	Very high	97.9	Very high	36 Å²	36	41.3 Å²	41.3	17%	0.168	22%	0.224	C	C	.	.			trans	-72.3	157.6	-177.4	-63.3	-61.2	-67.5	0	0	112.9	L320 D349 T352 G356 M357	L320-Q354 HydrophobicContact CB-CB 3.9Å; L320-Q354 HydrophobicContact CB-CG 4.44Å; L320-Q354 WeakPolarHBondContact O-CG 3.4Å; D349-Q354 PolarHBondContact O-NE2 3.08Å; T352-Q354 VanDerWaalsContact C-N 3.28Å; T352-Q354 PolarHBondContact O-N 3.44Å; T352-Q354 VanDerWaalsContact O-N 3.12Å; T352-Q354 PolarHBondContact O-NE2 3.18Å; Q354-G356 PolarHBondContact O-N 2.96Å; Q354-M357 VanDerWaalsContact O-CB 3.24Å; Q354-M357 WeakPolarHBondContact O-CB 3.27Å; Q354-M357 PolarHBondContact O-N 3.41Å
355	V	98.3	Very high	98	Very high	141 Å²	141	36.7 Å²	36.7	86%	0.855	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	126.3	174.5	-179.8	0	0	0	0	110.4
356	G	97.4	Very high	98	Very high	24 Å²	24	40.8 Å²	40.8	25%	0.247	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-12.4	-176.7	0	0	0	0	0	114.6	Q354 D359 I360	Q354-G356 PolarHBondContact O-N 2.96Å; G356-D359 PolarHBondContact O-N 2.94Å; G356-I360 PolarHBondContact O-N 2.75Å
357	M	98.1	Very high	98.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-49.3	-179.9	178.9	-78.4	-71	0	0	111.5	V316 L319 L320 T353 Q354 D359 I360 V361 Y396	V316-M357 VanDerWaalsContact O-CG 3.3Å; V316-M357 WeakPolarHBondContact O-CG 3.47Å; L319-M357 HydrophobicContact CB-CG 4.18Å; L319-M357 HydrophobicContact CD1-CG 4.39Å; L320-M357 HydrophobicContact CD1-CB 4.32Å; T353-M357 HydrophobicContact CG2-CE 4.03Å; Q354-M357 VanDerWaalsContact O-CB 3.24Å; Q354-M357 WeakPolarHBondContact O-CB 3.27Å; Q354-M357 PolarHBondContact O-N 3.41Å; M357-D359 PolarHBondContact O-N 3.48Å; M357-I360 WeakPolarHBondContact O-CB 3.49Å; M357-I360 PolarHBondContact O-N 3.34Å; M357-V361 PolarHBondContact O-N 2.62Å; M357-V361 VanDerWaalsContact O-N 3.17Å; M357-V361 HydrophobicContact SD-CG2 3.84Å; M357-Y396 HydrophobicContact CE-CE1 3.83Å; M357-Y396 WeakPolarHBondContact CE-OH 3.25Å; M357-Y396 HydrophobicContact SD-CE1 4.01Å
358	H	98.3	Very high	98.1	Very high	22 Å²	22	35 Å²	35	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-28.8	176.6	-74.3	-79.1	0	0	0	112.9	I360 V361 R362 Y396 E404	H358-I360 VanDerWaalsContact C-N 3.35Å; H358-V361 PolarHBondContact O-N 3.27Å; H358-R362 WeakPolarHBondContact O-CB 3.37Å; H358-R362 VanDerWaalsContact O-CD 3.26Å; H358-R362 WeakPolarHBondContact O-CD 3.23Å; H358-R362 WeakPolarHBondContact O-CG 3.41Å; H358-R362 PolarHBondContact O-N 3.27Å; H358-Y396 AromaticContact CE1-CD1 3.74Å; H358-Y396 AromaticContact CE1-CE1 3.67Å; H358-Y396 AromaticContact ND1-CD1 3.95Å; H358-E404 IonicContact CE1-OE1 2.98Å; H358-E404 IonicContact CG-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 2.61Å; H358-E404 PolarHBondContact ND1-OE1 3Å; H358-E404 IonicContact ND1-OE2 2.82Å
359	D	98.4	Very high	98.2	Very high	96 Å²	96	35.6 Å²	35.6	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-70.9	-32.7	176.8	-60.9	-33.4	0	0	0	111.8	G356 M357 R362 S363	G356-D359 PolarHBondContact O-N 2.94Å; M357-D359 PolarHBondContact O-N 3.48Å; D359-R362 IonicContact OD1-CZ 3.3Å; D359-R362 IonicContact OD1-NH1 3.9Å; D359-R362 PolarHBondContact OD1-NH1 3.03Å; D359-S363 PolarHBondContact O-N 3.31Å
360	I	98.4	Very high	98.2	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-48.3	171.2	-63.9	164.7	0	0	0	109.8	F287 L319 L320 G356 M357 H358 R362 S363 F364	F287-I360 HydrophobicContact CB-CD1 3.86Å; F287-I360 HydrophobicContact CD1-CD1 4.23Å; F287-I360 HydrophobicContact CD1-CG2 3.97Å; F287-I360 HydrophobicContact CE1-CG2 4.22Å; F287-I360 HydrophobicContact CG-CD1 4.31Å; L319-I360 HydrophobicContact CD1-CG2 4.18Å; L320-I360 HydrophobicContact CD1-CD1 3.77Å; L320-I360 HydrophobicContact CD2-CD1 4.1Å; L320-I360 HydrophobicContact CG-CD1 3.82Å; G356-I360 PolarHBondContact O-N 2.75Å; M357-I360 WeakPolarHBondContact O-CB 3.49Å; M357-I360 PolarHBondContact O-N 3.34Å; H358-I360 VanDerWaalsContact C-N 3.35Å; I360-R362 VanDerWaalsContact C-N 3.34Å; I360-R362 PolarHBondContact O-N 3.38Å; I360-S363 WeakPolarHBondContact O-CA 3.09Å; I360-S363 WeakPolarHBondContact O-CB 3.08Å; I360-S363 PolarHBondContact O-N 2.86Å; I360-S363 PolarHBondContact O-OG 3.13Å; I360-F364 HydrophobicContact CG2-CE1 3.97Å; I360-F364 HydrophobicContact CG2-CE2 3.74Å; I360-F364 HydrophobicContact CG2-CZ 3.4Å; I360-F364 PolarHBondContact O-N 2.75Å; I360-F364 VanDerWaalsContact O-N 3.12Å
361	V	98.3	Very high	98.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-45.3	177.5	176.9	0	0	0	0	111.1	V316 L319 M357 H358 S363 F364 R365 M381 T383 E404	V316-V361 HydrophobicContact CB-CG2 4.25Å; V316-V361 HydrophobicContact CG1-CG2 4.42Å; L319-V361 HydrophobicContact CD1-CG2 4.3Å; M357-V361 PolarHBondContact O-N 2.62Å; M357-V361 VanDerWaalsContact O-N 3.17Å; M357-V361 HydrophobicContact SD-CG2 3.84Å; H358-V361 PolarHBondContact O-N 3.27Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 3.06Å; V361-F364 WeakPolarHBondContact O-CB 2.96Å; V361-F364 PolarHBondContact O-N 2.84Å; V361-F364 VanDerWaalsContact O-N 3.11Å; V361-R365 PolarHBondContact O-N 3.18Å; V361-R365 VanDerWaalsContact O-N 3.15Å; V361-M381 HydrophobicContact CG1-CE 3.32Å; V361-T383 HydrophobicContact CG1-CG2 4.21Å; V361-E404 HydrophobicContact CG1-CG 3.83Å
362	R	98.6	Very high	98.2	Very high	48 Å²	48	39.3 Å²	39.3	18%	0.181	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-34.6	174.2	-69.1	158.4	-172	162.5	3.7	112.8	H358 D359 I360 F364 R365 Q366 I402 E404	H358-R362 WeakPolarHBondContact O-CB 3.37Å; H358-R362 VanDerWaalsContact O-CD 3.26Å; H358-R362 WeakPolarHBondContact O-CD 3.23Å; H358-R362 WeakPolarHBondContact O-CG 3.41Å; H358-R362 PolarHBondContact O-N 3.27Å; D359-R362 IonicContact OD1-CZ 3.3Å; D359-R362 IonicContact OD1-NH1 3.9Å; D359-R362 PolarHBondContact OD1-NH1 3.03Å; I360-R362 VanDerWaalsContact C-N 3.34Å; I360-R362 PolarHBondContact O-N 3.38Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 PolarHBondContact O-N 3.03Å; R362-R365 WeakPolarHBondContact O-CB 3.11Å; R362-R365 PolarHBondContact O-N 3.3Å; R362-Q366 WeakPolarHBondContact O-CG 3.41Å; R362-Q366 PolarHBondContact O-N 2.95Å; R362-I402 HydrophobicContact CG-CG2 4.08Å; R362-E404 HydrophobicContact CG-CB 4.31Å; R362-E404 HydrophobicContact CG-CG 3.93Å; R362-E404 IonicContact CZ-OE2 3.55Å; R362-E404 IonicContact NE-OE2 2.84Å; R362-E404 PolarHBondContact NE-OE2 3.35Å; R362-E404 IonicContact NH2-OE2 3.83Å; R362-E404 PolarHBondContact NH2-OE2 3.25Å
363	S	98.6	Very high	98.2	Very high	15 Å²	15	44.3 Å²	44.3	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-30.3	176	87.8	0	0	0	0	112.6	D359 I360 V361 T367	D359-S363 PolarHBondContact O-N 3.31Å; I360-S363 WeakPolarHBondContact O-CA 3.09Å; I360-S363 WeakPolarHBondContact O-CB 3.08Å; I360-S363 PolarHBondContact O-N 2.86Å; I360-S363 PolarHBondContact O-OG 3.13Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 3.06Å; S363-T367 PolarHBondContact O-N 3.34Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.41Å
364	F	98.6	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.6	-46.3	171	-56.5	-31.8	0	0	0	110.7	P213 F287 I296 L300 F313 L319 I360 V361 R362 Q366 T367 M368 M381	P213-F364 HydrophobicContact CB-CE2 4.39Å; P213-F364 HydrophobicContact CB-CZ 4.4Å; F287-F364 AromaticContact CE1-CZ 3.97Å; F287-F364 HydrophobicContact CE1-CZ 3.97Å; I296-F364 HydrophobicContact CG2-CD1 4.4Å; I296-F364 HydrophobicContact CG2-CE1 3.53Å; I296-F364 HydrophobicContact CG2-CZ 3.77Å; L300-F364 HydrophobicContact CD1-CB 4.04Å; L300-F364 HydrophobicContact CD1-CD1 3.94Å; L300-F364 HydrophobicContact CD1-CG 4.16Å; F313-F364 AromaticContact CD1-CD2 3.76Å; F313-F364 HydrophobicContact CD1-CD2 3.76Å; F313-F364 HydrophobicContact CD1-CE2 4.12Å; F313-F364 HydrophobicContact CE1-CB 3.9Å; F313-F364 AromaticContact CE1-CD2 3.29Å; F313-F364 HydrophobicContact CE1-CD2 3.29Å; F313-F364 AromaticContact CE1-CE2 3.89Å; F313-F364 HydrophobicContact CE1-CE2 3.89Å; F313-F364 AromaticContact CE1-CG 3.72Å; F313-F364 HydrophobicContact CE1-CG 3.72Å; F313-F364 HydrophobicContact CZ-CB 3.8Å; F313-F364 HydrophobicContact CZ-CD2 4.08Å; F313-F364 HydrophobicContact CZ-CG 4.15Å; L319-F364 HydrophobicContact CD1-CE2 4.45Å; I360-F364 HydrophobicContact CG2-CE1 3.97Å; I360-F364 HydrophobicContact CG2-CE2 3.74Å; I360-F364 HydrophobicContact CG2-CZ 3.4Å; I360-F364 PolarHBondContact O-N 2.75Å; I360-F364 VanDerWaalsContact O-N 3.12Å; V361-F364 WeakPolarHBondContact O-CB 2.96Å; V361-F364 PolarHBondContact O-N 2.84Å; V361-F364 VanDerWaalsContact O-N 3.11Å; R362-F364 VanDerWaalsContact C-N 3.29Å; R362-F364 PolarHBondContact O-N 3.03Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 2.92Å; F364-T367 WeakPolarHBondContact O-CB 3.34Å; F364-T367 PolarHBondContact O-N 3.43Å; F364-M368 WeakPolarHBondContact O-CG 3.21Å; F364-M368 PolarHBondContact O-N 3.09Å; F364-M381 HydrophobicContact CB-SD 4.4Å
365	R	98.6	Very high	98.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-53.2	-49.7	173.7	-176.8	63.1	-91.7	171	-5.3	111.9	V361 R362 T367 M368 D369 Y378 R379 M381 Q403 E404 D406	V361-R365 PolarHBondContact O-N 3.18Å; V361-R365 VanDerWaalsContact O-N 3.15Å; R362-R365 WeakPolarHBondContact O-CB 3.11Å; R362-R365 PolarHBondContact O-N 3.3Å; R365-T367 VanDerWaalsContact C-N 3.26Å; R365-T367 PolarHBondContact O-N 2.84Å; R365-M368 PolarHBondContact O-N 3.36Å; R365-M368 VanDerWaalsContact O-N 3.08Å; R365-D369 IonicContact CZ-OD1 3.46Å; R365-D369 IonicContact NE-OD1 3.29Å; R365-D369 PolarHBondContact NE-OD1 3.07Å; R365-D369 IonicContact NE-OD2 3.75Å; R365-D369 IonicContact NH2-OD1 3.94Å; R365-D369 PolarHBondContact NH2-OD1 3.08Å; R365-D369 PolarHBondContact O-N 2.95Å; R365-Y378 PolarHBondContact NH1-OH 2.68Å; R365-R379 PolarHBondContact NH1-O 2.92Å; R365-R379 PolarHBondContact NH2-O 3.03Å; R365-M381 HydrophobicContact CB-CE 4.2Å; R365-M381 HydrophobicContact CB-SD 3.87Å; R365-Q403 HydrophobicContact CG-CB 4.35Å; R365-Q403 HydrophobicContact CG-CG 4.39Å; R365-E404 WeakPolarHBondContact CD-O 3.49Å; R365-E404 WeakPolarHBondContact CG-O 3.36Å; R365-D406 IonicContact NH1-OD2 3.53Å
366	Q	98.5	Very high	97.9	Very high	128 Å²	128	48 Å²	48	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-59.8	-34.5	177.1	-72.6	176.7	0.3	0	0	113.4	R362 F364	R362-Q366 WeakPolarHBondContact O-CG 3.41Å; R362-Q366 PolarHBondContact O-N 2.95Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 2.92Å
367	T	98.7	Very high	97.8	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-42	176	-57.4	0	0	0	0	110.6	K297 R301 S363 F364 R365 D369 Q370	K297-T367 HydrophobicContact CB-CG2 4.23Å; K297-T367 HydrophobicContact CG-CG2 4.39Å; R301-T367 HydrophobicContact CG-CG2 4.14Å; S363-T367 PolarHBondContact O-N 3.34Å; S363-T367 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-OG1 3.41Å; F364-T367 WeakPolarHBondContact O-CB 3.34Å; F364-T367 PolarHBondContact O-N 3.43Å; R365-T367 VanDerWaalsContact C-N 3.26Å; R365-T367 PolarHBondContact O-N 2.84Å; T367-D369 VanDerWaalsContact C-N 3.35Å; T367-Q370 WeakPolarHBondContact O-CB 3.37Å; T367-Q370 PolarHBondContact O-N 3.02Å
368	M	98.6	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.4	-27.2	178.7	-64	169.6	63.3	0	0	113.2	L304 F311 F313 F364 R365 Q370 Y371 S372 R379 F380 M381	L304-M368 HydrophobicContact CD1-CG 4.14Å; F311-M368 HydrophobicContact CD2-CE 3.76Å; F311-M368 HydrophobicContact CD2-SD 4.1Å; F311-M368 HydrophobicContact CE2-CE 4.42Å; F313-M368 HydrophobicContact CE2-SD 3.94Å; F313-M368 HydrophobicContact CZ-SD 4.11Å; F364-M368 WeakPolarHBondContact O-CG 3.21Å; F364-M368 PolarHBondContact O-N 3.09Å; R365-M368 PolarHBondContact O-N 3.36Å; R365-M368 VanDerWaalsContact O-N 3.08Å; M368-Q370 PolarHBondContact O-N 2.95Å; M368-Y371 PolarHBondContact O-N 2.86Å; M368-S372 PolarHBondContact O-N 2.75Å; M368-S372 PolarHBondContact O-OG 2.96Å; M368-R379 HydrophobicContact CB-CB 4.34Å; M368-R379 HydrophobicContact CE-CB 4.06Å; M368-F380 WeakPolarHBondContact CE-O 3.44Å; M368-M381 HydrophobicContact CE-CB 3.75Å; M368-M381 HydrophobicContact CE-CG 4.46Å; M368-M381 HydrophobicContact SD-CB 4.04Å; M368-M381 HydrophobicContact SD-CG 4.19Å; M368-M381 HydrophobicContact SD-SD 3.91Å
369	D	98.4	Very high	97.9	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-29.5	177.2	-68.2	-20.4	0	0	0	112.6	R365 T367 Y371 S372	R365-D369 IonicContact CZ-OD1 3.46Å; R365-D369 IonicContact NE-OD1 3.29Å; R365-D369 PolarHBondContact NE-OD1 3.07Å; R365-D369 IonicContact NE-OD2 3.75Å; R365-D369 IonicContact NH2-OD1 3.94Å; R365-D369 PolarHBondContact NH2-OD1 3.08Å; R365-D369 PolarHBondContact O-N 2.95Å; T367-D369 VanDerWaalsContact C-N 3.35Å; D369-Y371 PolarHBondContact O-N 3.04Å; D369-S372 PolarHBondContact O-N 2.95Å
370	Q	98.1	Very high	97.9	Very high	118 Å²	118	47.1 Å²	47.1	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.5	173.6	-60	170.9	15.8	0	0	112.3	T367 M368	T367-Q370 WeakPolarHBondContact O-CB 3.37Å; T367-Q370 PolarHBondContact O-N 3.02Å; M368-Q370 PolarHBondContact O-N 2.95Å
371	Y	98.3	Very high	97.9	Very high	66 Å²	66	46.6 Å²	46.6	26%	0.259	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	6.2	177.5	-72.7	-101.6	0	0	0	113.2	R301 L304 T305 M368 D369 R379	R301-Y371 HydrophobicContact CG-CE2 4.12Å; L304-Y371 HydrophobicContact CB-CD1 3.78Å; L304-Y371 HydrophobicContact CB-CD2 4.34Å; L304-Y371 HydrophobicContact CB-CE1 3.94Å; L304-Y371 HydrophobicContact CB-CG 3.98Å; L304-Y371 HydrophobicContact CD1-CD2 3.73Å; L304-Y371 HydrophobicContact CD1-CE2 4.23Å; L304-Y371 HydrophobicContact CD1-CG 3.92Å; L304-Y371 HydrophobicContact CG-CG 4.47Å; T305-Y371 PolarHBondContact OG1-OH 2.83Å; M368-Y371 PolarHBondContact O-N 2.86Å; D369-Y371 PolarHBondContact O-N 3.04Å; Y371-R379 PolarHBondContact O-NE 3.16Å; Y371-R379 VanDerWaalsContact O-NE 3.07Å
372	S	98.3	Very high	97.9	Very high	21 Å²	21	46.6 Å²	46.6	15%	0.147	25%	0.25	C	C	.	.			trans	-114	5.4	-175	-58.3	0	0	0	0	113.4	M368 D369 E374 R379	M368-S372 PolarHBondContact O-N 2.75Å; M368-S372 PolarHBondContact O-OG 2.96Å; D369-S372 PolarHBondContact O-N 2.95Å; S372-E374 VanDerWaalsContact C-N 3.32Å; S372-R379 WeakPolarHBondContact OG-CB 3.13Å; S372-R379 WeakPolarHBondContact OG-CG 3.47Å; S372-R379 PolarHBondContact OG-N 2.81Å
373	T	97.1	Very high	97.9	Very high	120 Å²	120	44.3 Å²	44.3	74%	0.736	24%	0.241	S	C	*	.			trans	-73.7	-23.4	-178.9	58.8	0	0	0	0	113.1	P375	T373-P375 WeakPolarHBondContact O-CD 3.49Å
374	E	96.4	Very high	97.7	Very high	102 Å²	102	44.3 Å²	44.3	48%	0.477	24%	0.239	S	C	.	.	S	Bend	trans	-77	120.1	177.1	-169.7	-174.2	155.8	0	0	110	S372 G376 R377	S372-E374 VanDerWaalsContact C-N 3.32Å; E374-G376 PolarHBondContact O-N 2.95Å; E374-R377 HydrophobicContact CB-CB 4.31Å; E374-R377 HydrophobicContact CG-CG 4.41Å; E374-R377 PolarHBondContact O-N 3.26Å; E374-R377 VanDerWaalsContact OE1-CD 3.25Å; E374-R377 WeakPolarHBondContact OE1-CD 3.26Å; E374-R377 VanDerWaalsContact OE2-CD 3.24Å; E374-R377 WeakPolarHBondContact OE2-CD 3.37Å; E374-R377 IonicContact OE2-NH1 2.77Å; E374-R377 PolarHBondContact OE2-NH1 3.01Å
375	P	95.5	Very high	97.2	Very high	121 Å²	121	44.6 Å²	44.6	79%	0.786	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	133	179	-26.5	35.3	0	0	0	112.3	T373 R377	T373-P375 WeakPolarHBondContact O-CD 3.49Å; P375-R377 VanDerWaalsContact C-N 3.3Å; P375-R377 PolarHBondContact O-N 2.81Å
376	G	93.8	Very high	96.6	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	-2.3	-177.4	0	0	0	0	0	115.2	E374	E374-G376 PolarHBondContact O-N 2.95Å
377	R	96.9	Very high	95.7	Very high	84 Å²	84	44.7 Å²	44.7	32%	0.317	26%	0.256	S	S	.	.			trans	-122.4	33.4	177.3	-55.6	-168.7	78.3	-167.5	4.7	113.5	E374 P375 R379	E374-R377 HydrophobicContact CB-CB 4.31Å; E374-R377 HydrophobicContact CG-CG 4.41Å; E374-R377 PolarHBondContact O-N 3.26Å; E374-R377 VanDerWaalsContact OE1-CD 3.25Å; E374-R377 WeakPolarHBondContact OE1-CD 3.26Å; E374-R377 VanDerWaalsContact OE2-CD 3.24Å; E374-R377 WeakPolarHBondContact OE2-CD 3.37Å; E374-R377 IonicContact OE2-NH1 2.77Å; E374-R377 PolarHBondContact OE2-NH1 3.01Å; P375-R377 VanDerWaalsContact C-N 3.3Å; P375-R377 PolarHBondContact O-N 2.81Å; R377-R379 PolarHBondContact O-NE 3Å
378	Y	98.6	Very high	95	Very high	32 Å²	32	45.4 Å²	45.4	13%	0.125	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-54.8	137	169.5	179.2	-100	0	0	0	111.1	W117 W118 R365 D406	W117-Y378 PolarHBondContact NE1-O 3.29Å; W118-Y378 AromaticContact CD1-CD1 3.77Å; W118-Y378 AromaticContact CD1-CE1 3.92Å; W118-Y378 AromaticContact NE1-CD1 3.61Å; W118-Y378 AromaticContact NE1-CE1 3.46Å; R365-Y378 PolarHBondContact NH1-OH 2.68Å; Y378-D406 WeakPolarHBondContact CE1-OD1 3.35Å; Y378-D406 WeakPolarHBondContact CE1-OD2 3.46Å; Y378-D406 VanDerWaalsContact CZ-OD1 3.31Å; Y378-D406 VanDerWaalsContact OH-CG 3.3Å; Y378-D406 PolarHBondContact OH-OD1 3.34Å; Y378-D406 PolarHBondContact OH-OD2 2.63Å
379	R	98.6	Very high	94.6	Very high	9 Å²	9	49 Å²	49	3%	0.034	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-97.1	116.9	179.5	-51.5	-58	169.5	171	-4.4	111.1	L304 V308 D309 R365 M368 Y371 S372 R377	L304-R379 HydrophobicContact CD2-CB 4.15Å; L304-R379 HydrophobicContact CD2-CG 3.77Å; V308-R379 PolarHBondContact O-NH1 3.49Å; D309-R379 CarbonylContact O-C 3.54Å; D309-R379 VanDerWaalsContact O-CA 3.23Å; D309-R379 WeakPolarHBondContact O-CA 3.46Å; D309-R379 IonicContact OD1-NH1 3.34Å; R365-R379 PolarHBondContact NH1-O 2.92Å; R365-R379 PolarHBondContact NH2-O 3.03Å; M368-R379 HydrophobicContact CB-CB 4.34Å; M368-R379 HydrophobicContact CE-CB 4.06Å; Y371-R379 PolarHBondContact O-NE 3.16Å; Y371-R379 VanDerWaalsContact O-NE 3.07Å; S372-R379 WeakPolarHBondContact OG-CB 3.13Å; S372-R379 WeakPolarHBondContact OG-CG 3.47Å; S372-R379 PolarHBondContact OG-N 2.81Å; R377-R379 PolarHBondContact O-NE 3Å
380	F	98.9	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	140	-178.5	169.8	-93.6	0	0	0	111.9	W117 W118 M123 I208 D309 G310 F311 M368 G382 D406 F407 F409	W117-F380 HydrophobicContact CH2-CB 3.42Å; W117-F380 VanDerWaalsContact CH2-CB 3.42Å; W117-F380 HydrophobicContact CH2-CG 4.25Å; W117-F380 HydrophobicContact CZ2-CB 3.54Å; W117-F380 HydrophobicContact CZ3-CB 4.45Å; W118-F380 HydrophobicContact CB-CD2 3.82Å; W118-F380 HydrophobicContact CB-CE2 4.49Å; W118-F380 HydrophobicContact CB-CG 4.44Å; W118-F380 HydrophobicContact CD2-CD2 4.1Å; W118-F380 HydrophobicContact CD2-CE2 4.49Å; W118-F380 HydrophobicContact CE3-CD2 4.46Å; W118-F380 HydrophobicContact CE3-CE2 4.4Å; W118-F380 AromaticContact CG-CD2 3.82Å; W118-F380 HydrophobicContact CG-CD2 3.82Å; M123-F380 HydrophobicContact CE-CD2 4.3Å; M123-F380 HydrophobicContact CE-CE1 4.24Å; M123-F380 HydrophobicContact CE-CE2 3.98Å; M123-F380 HydrophobicContact CE-CZ 3.97Å; I208-F380 HydrophobicContact CD1-CD1 4.16Å; I208-F380 HydrophobicContact CD1-CE1 4Å; I208-F380 HydrophobicContact CG2-CB 4.45Å; I208-F380 HydrophobicContact CG2-CD1 3.94Å; D309-F380 PolarHBondContact O-N 3.1Å; G310-F380 CarbonylContact C-O 3.57Å; G310-F380 WeakPolarHBondContact CA-O 3.29Å; F311-F380 PolarHBondContact N-O 2.92Å; M368-F380 WeakPolarHBondContact CE-O 3.44Å; F380-G382 VanDerWaalsContact CE1-N 3.26Å; F380-D406 VanDerWaalsContact CA-OD2 3.31Å; F380-D406 WeakPolarHBondContact CA-OD2 3.5Å; F380-D406 HydrophobicContact CD2-CB 3.77Å; F380-D406 WeakPolarHBondContact CD2-OD2 3.48Å; F380-D406 HydrophobicContact CE2-CB 3.64Å; F380-F407 HydrophobicContact CE2-CD1 4.23Å; F380-F407 HydrophobicContact CE2-CD2 4.2Å; F380-F407 AromaticContact CE2-CE1 3.79Å; F380-F407 HydrophobicContact CE2-CE1 3.79Å; F380-F407 AromaticContact CE2-CE2 3.76Å; F380-F407 HydrophobicContact CE2-CE2 3.76Å; F380-F407 HydrophobicContact CE2-CG 4.45Å; F380-F407 AromaticContact CE2-CZ 3.54Å; F380-F407 HydrophobicContact CE2-CZ 3.54Å; F380-F407 AromaticContact CZ-CD2 3.94Å; F380-F407 HydrophobicContact CZ-CD2 3.94Å; F380-F407 HydrophobicContact CZ-CE1 4.26Å; F380-F407 AromaticContact CZ-CE2 3.37Å; F380-F407 HydrophobicContact CZ-CE2 3.37Å; F380-F407 AromaticContact CZ-CZ 3.56Å; F380-F407 HydrophobicContact CZ-CZ 3.56Å; F380-F409 HydrophobicContact CE1-CZ 4.07Å; F380-F409 HydrophobicContact CZ-CZ 4.19Å
381	M	98.8	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111.7	172.9	-178.7	171	129.8	0	0	110.3	F313 V361 F364 R365 M368 T383 A405 D406	F313-M381 HydrophobicContact CD2-CG 3.77Å; F313-M381 HydrophobicContact CD2-SD 4.41Å; F313-M381 HydrophobicContact CE2-CG 3.61Å; F313-M381 HydrophobicContact CE2-SD 3.94Å; F313-M381 HydrophobicContact CZ-SD 4.45Å; V361-M381 HydrophobicContact CG1-CE 3.32Å; F364-M381 HydrophobicContact CB-SD 4.4Å; R365-M381 HydrophobicContact CB-CE 4.2Å; R365-M381 HydrophobicContact CB-SD 3.87Å; M368-M381 HydrophobicContact CE-CB 3.75Å; M368-M381 HydrophobicContact CE-CG 4.46Å; M368-M381 HydrophobicContact SD-CB 4.04Å; M368-M381 HydrophobicContact SD-CG 4.19Å; M368-M381 HydrophobicContact SD-SD 3.91Å; M381-T383 HydrophobicContact CE-CG2 4.42Å; M381-A405 HydrophobicContact CE-CB 4.33Å; M381-A405 WeakPolarHBondContact O-CA 3.36Å; M381-D406 PolarHBondContact N-OD2 3.2Å; M381-D406 PolarHBondContact O-N 2.86Å
382	G	98.6	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	154.5	169.7	0	0	0	0	0	111.3	F311 F313 F380 F407	F311-G382 PolarHBondContact O-N 3.21Å; F313-G382 PolarHBondContact N-O 3Å; F380-G382 VanDerWaalsContact CE1-N 3.26Å; G382-F407 WeakPolarHBondContact CA-O 3.34Å
383	T	98.2	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.7	178.2	53.4	0	0	0	0	111.4	F313 V316 V361 M381 Y396 A405 F407 P408 F409	F313-T383 HydrophobicContact CB-CG2 4.28Å; V316-T383 HydrophobicContact CG1-CG2 4.38Å; V316-T383 HydrophobicContact CG2-CG2 4.35Å; V361-T383 HydrophobicContact CG1-CG2 4.21Å; M381-T383 HydrophobicContact CE-CG2 4.42Å; T383-Y396 HydrophobicContact CG2-CD1 4.3Å; T383-A405 HydrophobicContact CG2-CB 3.9Å; T383-F407 PolarHBondContact N-O 3.17Å; T383-P408 WeakPolarHBondContact O-CA 3.33Å; T383-F409 PolarHBondContact O-N 3.02Å
384	E	93.9	Very high	94	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.07	24%	0.241	C	C	.	.			trans	-100.8	108.3	176	-62.4	-177	-105.3	0	0	109.8	W161 S312 F313 Y386 F409	W161-E384 WeakPolarHBondContact CZ2-OE1 3.48Å; S312-E384 WeakPolarHBondContact OG-CG 3.13Å; S312-E384 PolarHBondContact OG-OE1 2.99Å; F313-E384 PolarHBondContact O-N 2.81Å; E384-Y386 HydrophobicContact CB-CE2 4.17Å; E384-Y386 HydrophobicContact CG-CE2 4.47Å; E384-Y386 WeakPolarHBondContact OE2-CE2 3.42Å; E384-Y386 PolarHBondContact OE2-OH 3Å; E384-F409 HydrophobicContact CG-CB 4.29Å; E384-F409 HydrophobicContact CG-CD2 3.47Å; E384-F409 VanDerWaalsContact CG-CD2 3.47Å; E384-F409 HydrophobicContact CG-CE2 4.15Å; E384-F409 HydrophobicContact CG-CG 4.17Å
385	A	88.9	Confident	94.1	Very high	7 Å²	7	42 Å²	42	6%	0.058	24%	0.241	C	C	.	.			trans	-133.8	72.3	178.4	0	0	0	0	0	109.6	V316 Y396	V316-A385 HydrophobicContact CG2-CB 4.45Å; A385-Y396 HydrophobicContact CB-CD2 4.24Å; A385-Y396 HydrophobicContact CB-CE2 3.5Å
386	Y	85.7	Confident	94.2	Very high	42 Å²	42	36.2 Å²	36.2	17%	0.165	20%	0.203	C	C	.	.			trans	-79.6	166	-178.1	-53.5	-40.9	0	0	0	112.9	K317 E384 E388 F409 N411	K317-Y386 PolarHBondContact NZ-O 3.06Å; E384-Y386 HydrophobicContact CB-CE2 4.17Å; E384-Y386 HydrophobicContact CG-CE2 4.47Å; E384-Y386 WeakPolarHBondContact OE2-CE2 3.42Å; E384-Y386 PolarHBondContact OE2-OH 3Å; Y386-E388 PolarHBondContact O-N 3.16Å; Y386-F409 HydrophobicContact CE1-CB 4.27Å; Y386-N411 HydrophobicContact CD1-CB 3.83Å; Y386-N411 VanDerWaalsContact CD1-ND2 3.28Å; Y386-N411 WeakPolarHBondContact CD1-ND2 3.04Å; Y386-N411 VanDerWaalsContact CD1-OD1 3.31Å; Y386-N411 WeakPolarHBondContact CD1-OD1 3.45Å; Y386-N411 HydrophobicContact CE1-CB 3.63Å
387	A	80.1	Confident	94.4	Very high	88 Å²	88	33.2 Å²	33.2	73%	0.727	17%	0.172	S	C	*	.	S	Bend	trans	53.7	38.1	-175.9	0	0	0	0	0	112.5
388	E	82.4	Confident	94.4	Very high	20 Å²	20	29.6 Å²	29.6	9%	0.093	16%	0.161	C	C	.	.			trans	-111	156.9	170.8	-74.2	-166	-178.6	0	0	110.5	K317 Y386 R392 Y412	K317-E388 WeakPolarHBondContact CB-OE1 3.45Å; K317-E388 HydrophobicContact CD-CG 3.95Å; K317-E388 WeakPolarHBondContact CD-OE1 3.34Å; Y386-E388 PolarHBondContact O-N 3.16Å; E388-R392 HydrophobicContact CB-CB 4.35Å; E388-R392 VanDerWaalsContact OE2-CB 3.28Å; E388-R392 WeakPolarHBondContact OE2-CB 3.36Å; E388-Y412 PolarHBondContact O-OH 3.39Å
389	T	91.8	Very high	94.3	Very high	77 Å²	77	31.8 Å²	31.8	47%	0.472	18%	0.175	S	C	.	.			trans	-69.6	148	167.8	57.2	0	0	0	0	109.5	D391 R392 T393	T389-D391 WeakPolarHBondContact CB-OD1 3.04Å; T389-D391 PolarHBondContact O-N 2.79Å; T389-D391 VanDerWaalsContact O-N 3.14Å; T389-D391 PolarHBondContact OG1-OD1 3.09Å; T389-R392 PolarHBondContact O-N 2.84Å; T389-T393 PolarHBondContact O-N 2.98Å; T389-T393 VanDerWaalsContact O-N 3.14Å; T389-T393 PolarHBondContact O-OG1 3.05Å
390	I	94.2	Very high	94.2	Very high	28 Å²	28	37.7 Å²	37.7	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-35.1	-174.7	-172.7	64.5	0	0	0	112.4	R392 T393 V394 Y412 W431 N434	I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 3.27Å; I390-T393 PolarHBondContact O-N 3.48Å; I390-V394 HydrophobicContact CD1-CG1 4.2Å; I390-V394 HydrophobicContact CG1-CG1 4.31Å; I390-V394 WeakPolarHBondContact O-CG1 3.34Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 2.95Å; I390-Y412 WeakPolarHBondContact CA-OH 3.3Å; I390-Y412 HydrophobicContact CD1-CD2 4.29Å; I390-Y412 HydrophobicContact CD1-CE2 3.56Å; I390-Y412 PolarHBondContact N-OH 2.91Å; I390-W431 HydrophobicContact CD1-CD2 4.41Å; I390-W431 HydrophobicContact CD1-CE3 3.55Å; I390-W431 HydrophobicContact CD1-CZ3 4.01Å; I390-N434 HydrophobicContact CG1-CB 3.85Å
391	D	94.4	Very high	94	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-33.9	178.7	63.3	-65.9	0	0	0	112.8	T389 V394 M395	T389-D391 WeakPolarHBondContact CB-OD1 3.04Å; T389-D391 PolarHBondContact O-N 2.79Å; T389-D391 VanDerWaalsContact O-N 3.14Å; T389-D391 PolarHBondContact OG1-OD1 3.09Å; D391-V394 WeakPolarHBondContact O-CG2 3.25Å; D391-M395 WeakPolarHBondContact O-CG 3.46Å
392	R	95.2	Very high	93.9	Very high	91 Å²	91	48.4 Å²	48.4	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-76.9	-42.6	174.3	-67.9	-171.3	179.2	-162.2	4.3	111.2	T353 E388 T389 I390 V394 M395	T353-R392 PolarHBondContact OG1-NH1 2.99Å; E388-R392 HydrophobicContact CB-CB 4.35Å; E388-R392 VanDerWaalsContact OE2-CB 3.28Å; E388-R392 WeakPolarHBondContact OE2-CB 3.36Å; T389-R392 PolarHBondContact O-N 2.84Å; I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 3.27Å; R392-V394 VanDerWaalsContact C-N 3.32Å; R392-V394 PolarHBondContact O-N 2.69Å; R392-M395 VanDerWaalsContact O-CB 3.29Å; R392-M395 WeakPolarHBondContact O-CB 3.49Å; R392-M395 PolarHBondContact O-N 3.48Å; R392-M395 VanDerWaalsContact O-N 3.09Å
393	T	96.4	Very high	93.8	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-57	-44.8	178	-52.7	0	0	0	0	111.6	T389 I390 M395 Y396 P408 Y412 W431	T389-T393 PolarHBondContact O-N 2.98Å; T389-T393 VanDerWaalsContact O-N 3.14Å; T389-T393 PolarHBondContact O-OG1 3.05Å; I390-T393 PolarHBondContact O-N 3.48Å; T393-M395 PolarHBondContact O-N 2.78Å; T393-Y396 WeakPolarHBondContact O-CD2 3.42Å; T393-Y396 PolarHBondContact O-N 2.7Å; T393-P408 HydrophobicContact CG2-CB 3.92Å; T393-P408 HydrophobicContact CG2-CG 4.05Å; T393-P408 WeakPolarHBondContact O-CG 3.17Å; T393-Y412 PolarHBondContact OG1-OH 3.47Å; T393-W431 HydrophobicContact CG2-CH2 4.11Å; T393-W431 HydrophobicContact CG2-CZ3 3.94Å
394	V	96.9	Very high	93.8	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.109	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69.9	-13.2	-178	-61.8	0	0	0	0	113.8	I390 D391 R392 Y396 Y397 N434	I390-V394 HydrophobicContact CD1-CG1 4.2Å; I390-V394 HydrophobicContact CG1-CG1 4.31Å; I390-V394 WeakPolarHBondContact O-CG1 3.34Å; I390-V394 WeakPolarHBondContact O-CG2 3.35Å; I390-V394 PolarHBondContact O-N 2.95Å; D391-V394 WeakPolarHBondContact O-CG2 3.25Å; R392-V394 VanDerWaalsContact C-N 3.32Å; R392-V394 PolarHBondContact O-N 2.69Å; V394-Y396 PolarHBondContact O-N 3.37Å; V394-Y397 HydrophobicContact CB-CD2 4.34Å; V394-Y397 WeakPolarHBondContact O-CB 3.37Å; V394-Y397 PolarHBondContact O-N 2.98Å; V394-N434 HydrophobicContact CG1-CB 4.18Å
395	M	97.6	Very high	94	Very high	94 Å²	94	53.2 Å²	53.2	46%	0.463	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.6	175	-63.7	179	61.4	0	0	112.4	D391 R392 T393 Y397 G398	D391-M395 WeakPolarHBondContact O-CG 3.46Å; R392-M395 VanDerWaalsContact O-CB 3.29Å; R392-M395 WeakPolarHBondContact O-CB 3.49Å; R392-M395 PolarHBondContact O-N 3.48Å; R392-M395 VanDerWaalsContact O-N 3.09Å; T393-M395 PolarHBondContact O-N 2.78Å; M395-Y397 PolarHBondContact O-N 2.79Å; M395-G398 PolarHBondContact O-N 3.32Å
396	Y	98.1	Very high	94.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-68.4	-13.6	179.6	-66.8	-76.7	0	0	0	113.8	V316 M357 H358 T383 A385 T393 V394 G398 E404 A405	V316-Y396 HydrophobicContact CB-CE1 4.45Å; V316-Y396 HydrophobicContact CG2-CD1 4.36Å; V316-Y396 HydrophobicContact CG2-CE1 3.54Å; M357-Y396 HydrophobicContact CE-CE1 3.83Å; M357-Y396 WeakPolarHBondContact CE-OH 3.25Å; M357-Y396 HydrophobicContact SD-CE1 4.01Å; H358-Y396 AromaticContact CE1-CD1 3.74Å; H358-Y396 AromaticContact CE1-CE1 3.67Å; H358-Y396 AromaticContact ND1-CD1 3.95Å; T383-Y396 HydrophobicContact CG2-CD1 4.3Å; A385-Y396 HydrophobicContact CB-CD2 4.24Å; A385-Y396 HydrophobicContact CB-CE2 3.5Å; T393-Y396 WeakPolarHBondContact O-CD2 3.42Å; T393-Y396 PolarHBondContact O-N 2.7Å; V394-Y396 PolarHBondContact O-N 3.37Å; Y396-G398 PolarHBondContact O-N 2.9Å; Y396-E404 WeakPolarHBondContact O-CB 3.12Å; Y396-A405 WeakPolarHBondContact O-CB 3.5Å; Y396-A405 PolarHBondContact O-N 3.31Å; Y396-A405 VanDerWaalsContact O-N 3.08Å
397	Y	98.2	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-66.2	-16	167.9	-81.3	-67.8	0	0	0	113.2	V394 M395 F407 P408 W431 M435 K439 W440	V394-Y397 HydrophobicContact CB-CD2 4.34Å; V394-Y397 WeakPolarHBondContact O-CB 3.37Å; V394-Y397 PolarHBondContact O-N 2.98Å; M395-Y397 PolarHBondContact O-N 2.79Å; Y397-F407 HydrophobicContact CE1-CB 3.62Å; Y397-P408 HydrophobicContact CD2-CG 4.05Å; Y397-P408 HydrophobicContact CE2-CG 3.82Å; Y397-W431 AromaticContact CE2-CZ2 3.93Å; Y397-W431 HydrophobicContact CE2-CZ2 3.93Å; Y397-W431 VanDerWaalsContact OH-CZ2 3.31Å; Y397-W431 WeakPolarHBondContact OH-CZ2 3.35Å; Y397-M435 HydrophobicContact CD2-CG 4.05Å; Y397-M435 HydrophobicContact CE1-CG 4.5Å; Y397-M435 HydrophobicContact CE1-SD 4.25Å; Y397-M435 HydrophobicContact CE2-CB 4.27Å; Y397-M435 HydrophobicContact CE2-CG 3.55Å; Y397-M435 HydrophobicContact CE2-SD 3.99Å; Y397-M435 PolarHBondContact OH-SD 3.42Å; Y397-K439 HydrophobicContact CD1-CB 3.8Å; Y397-K439 HydrophobicContact CD1-CD 3.88Å; Y397-K439 HydrophobicContact CD1-CG 3.96Å; Y397-K439 HydrophobicContact CE1-CB 3.88Å; Y397-K439 HydrophobicContact CG-CB 4.26Å; Y397-K439 HydrophobicContact CG-CD 4.33Å; Y397-K439 HydrophobicContact CG-CG 4.16Å; Y397-K439 WeakPolarHBondContact O-CE 3.43Å; Y397-K439 PolarHBondContact O-NZ 2.93Å; Y397-W440 WeakPolarHBondContact CE1-O 3.25Å; Y397-W440 PolarHBondContact OH-O 3.45Å
398	G	97.1	Very high	95.9	Very high	8 Å²	8	47.6 Å²	47.6	8%	0.082	25%	0.246	C	C	.	.			trans	75.5	-164	-176.1	0	0	0	0	0	113.2	M395 Y396	M395-G398 PolarHBondContact O-N 3.32Å; Y396-G398 PolarHBondContact O-N 2.9Å
399	L	96.2	Very high	96.7	Very high	78 Å²	78	46.8 Å²	46.8	41%	0.408	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-107.5	164.9	-179.5	-62.5	177.9	0	0	0	110.4	F401 I402	L399-F401 HydrophobicContact CB-CD1 4.35Å; L399-F401 HydrophobicContact CB-CE1 4.12Å; L399-F401 HydrophobicContact CB-CZ 4.28Å; L399-F401 HydrophobicContact CD1-CE1 4.12Å; L399-F401 HydrophobicContact CD1-CE2 4.13Å; L399-F401 HydrophobicContact CD1-CZ 3.6Å; L399-F401 PolarHBondContact O-N 3.37Å; L399-I402 HydrophobicContact CB-CB 4.25Å; L399-I402 HydrophobicContact CB-CG1 4.48Å; L399-I402 HydrophobicContact CD1-CD1 4.18Å; L399-I402 PolarHBondContact N-O 3.32Å; L399-I402 CarbonylContact O-C 3.49Å; L399-I402 PolarHBondContact O-N 3.18Å; L399-I402 VanDerWaalsContact O-N 3.15Å
400	P	95.6	Very high	97	Very high	132 Å²	132	43.2 Å²	43.2	86%	0.857	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.2	176.2	-27.7	36.1	0	0	0	114.5
401	F	95.2	Very high	97.1	Very high	168 Å²	168	42.9 Å²	42.9	74%	0.737	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	1.7	-179	58.9	-90.1	0	0	0	113.9	L399	L399-F401 HydrophobicContact CB-CD1 4.35Å; L399-F401 HydrophobicContact CB-CE1 4.12Å; L399-F401 HydrophobicContact CB-CZ 4.28Å; L399-F401 HydrophobicContact CD1-CE1 4.12Å; L399-F401 HydrophobicContact CD1-CE2 4.13Å; L399-F401 HydrophobicContact CD1-CZ 3.6Å; L399-F401 PolarHBondContact O-N 3.37Å
402	I	96.6	Very high	97.2	Very high	57 Å²	57	41 Å²	41	29%	0.292	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-131.2	114.3	176.2	-54	-175.2	0	0	0	108.5	R362 L399	R362-I402 HydrophobicContact CG-CG2 4.08Å; L399-I402 HydrophobicContact CB-CB 4.25Å; L399-I402 HydrophobicContact CB-CG1 4.48Å; L399-I402 HydrophobicContact CD1-CD1 4.18Å; L399-I402 PolarHBondContact N-O 3.32Å; L399-I402 CarbonylContact O-C 3.49Å; L399-I402 PolarHBondContact O-N 3.18Å; L399-I402 VanDerWaalsContact O-N 3.15Å
403	Q	96.9	Very high	97.3	Very high	111 Å²	111	36.8 Å²	36.8	52%	0.519	19%	0.189	S	C	.	.			trans	-78.3	141.7	178.6	-148.3	167.6	3.6	0	0	110.6	R365	R365-Q403 HydrophobicContact CG-CB 4.35Å; R365-Q403 HydrophobicContact CG-CG 4.39Å
404	E	98	Very high	97.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.191	C	C	.	.			trans	-142.1	-128.2	-177.6	-159.8	162.3	161.1	0	0	108.8	H358 V361 R362 R365 Y396	H358-E404 IonicContact CE1-OE1 2.98Å; H358-E404 IonicContact CG-OE1 3.35Å; H358-E404 IonicContact ND1-OE1 2.61Å; H358-E404 PolarHBondContact ND1-OE1 3Å; H358-E404 IonicContact ND1-OE2 2.82Å; V361-E404 HydrophobicContact CG1-CG 3.83Å; R362-E404 HydrophobicContact CG-CB 4.31Å; R362-E404 HydrophobicContact CG-CG 3.93Å; R362-E404 IonicContact CZ-OE2 3.55Å; R362-E404 IonicContact NE-OE2 2.84Å; R362-E404 PolarHBondContact NE-OE2 3.35Å; R362-E404 IonicContact NH2-OE2 3.83Å; R362-E404 PolarHBondContact NH2-OE2 3.25Å; R365-E404 WeakPolarHBondContact CD-O 3.49Å; R365-E404 WeakPolarHBondContact CG-O 3.36Å; Y396-E404 WeakPolarHBondContact O-CB 3.12Å
405	A	98.4	Very high	97.1	Very high	5 Å²	5	41 Å²	41	4%	0.041	21%	0.21	C	C	.	.			trans	-70.7	150.5	172.6	0	0	0	0	0	111	M381 T383 Y396 F407	M381-A405 HydrophobicContact CE-CB 4.33Å; M381-A405 WeakPolarHBondContact O-CA 3.36Å; T383-A405 HydrophobicContact CG2-CB 3.9Å; Y396-A405 WeakPolarHBondContact O-CB 3.5Å; Y396-A405 PolarHBondContact O-N 3.31Å; Y396-A405 VanDerWaalsContact O-N 3.08Å; A405-F407 VanDerWaalsContact C-N 3.31Å
406	D	98.7	Very high	97	Very high	18 Å²	18	37.7 Å²	37.7	10%	0.096	19%	0.194	C	C	.	.	S	Bend	trans	-63.6	-43.7	169.5	-69.4	-59.3	0	0	0	110.1	W118 R365 Y378 F380 M381	W118-D406 HydrophobicContact CD2-CB 4.43Å; W118-D406 HydrophobicContact CE3-CB 4.45Å; W118-D406 HydrophobicContact CH2-CB 4.02Å; W118-D406 HydrophobicContact CZ2-CB 4Å; W118-D406 HydrophobicContact CZ3-CB 4.24Å; R365-D406 IonicContact NH1-OD2 3.53Å; Y378-D406 WeakPolarHBondContact CE1-OD1 3.35Å; Y378-D406 WeakPolarHBondContact CE1-OD2 3.46Å; Y378-D406 VanDerWaalsContact CZ-OD1 3.31Å; Y378-D406 VanDerWaalsContact OH-CG 3.3Å; Y378-D406 PolarHBondContact OH-OD1 3.34Å; Y378-D406 PolarHBondContact OH-OD2 2.63Å; F380-D406 VanDerWaalsContact CA-OD2 3.31Å; F380-D406 WeakPolarHBondContact CA-OD2 3.5Å; F380-D406 HydrophobicContact CD2-CB 3.77Å; F380-D406 WeakPolarHBondContact CD2-OD2 3.48Å; F380-D406 HydrophobicContact CE2-CB 3.64Å; M381-D406 PolarHBondContact N-OD2 3.2Å; M381-D406 PolarHBondContact O-N 2.86Å
407	F	98.6	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151	161.8	48.1	-118.3	0	0	0	111.2	W118 M123 F380 G382 T383 Y397 A405 F409 N442 I477	W118-F407 AromaticContact CE3-CD1 3.97Å; W118-F407 HydrophobicContact CE3-CD1 3.97Å; W118-F407 AromaticContact CE3-CE1 3.64Å; W118-F407 HydrophobicContact CE3-CE1 3.64Å; W118-F407 AromaticContact CZ3-CD1 3.66Å; W118-F407 HydrophobicContact CZ3-CD1 3.66Å; W118-F407 AromaticContact CZ3-CE1 3.82Å; W118-F407 HydrophobicContact CZ3-CE1 3.82Å; M123-F407 HydrophobicContact CE-CE1 4.38Å; M123-F407 HydrophobicContact CE-CE2 4.5Å; M123-F407 HydrophobicContact CE-CZ 3.63Å; M123-F407 HydrophobicContact SD-CZ 4.13Å; F380-F407 HydrophobicContact CE2-CD1 4.23Å; F380-F407 HydrophobicContact CE2-CD2 4.2Å; F380-F407 AromaticContact CE2-CE1 3.79Å; F380-F407 HydrophobicContact CE2-CE1 3.79Å; F380-F407 AromaticContact CE2-CE2 3.76Å; F380-F407 HydrophobicContact CE2-CE2 3.76Å; F380-F407 HydrophobicContact CE2-CG 4.45Å; F380-F407 AromaticContact CE2-CZ 3.54Å; F380-F407 HydrophobicContact CE2-CZ 3.54Å; F380-F407 AromaticContact CZ-CD2 3.94Å; F380-F407 HydrophobicContact CZ-CD2 3.94Å; F380-F407 HydrophobicContact CZ-CE1 4.26Å; F380-F407 AromaticContact CZ-CE2 3.37Å; F380-F407 HydrophobicContact CZ-CE2 3.37Å; F380-F407 AromaticContact CZ-CZ 3.56Å; F380-F407 HydrophobicContact CZ-CZ 3.56Å; G382-F407 WeakPolarHBondContact CA-O 3.34Å; T383-F407 PolarHBondContact N-O 3.17Å; Y397-F407 HydrophobicContact CE1-CB 3.62Å; A405-F407 VanDerWaalsContact C-N 3.31Å; F407-F409 HydrophobicContact CE2-CD1 4.03Å; F407-F409 AromaticContact CE2-CE1 3.74Å; F407-F409 HydrophobicContact CE2-CE1 3.74Å; F407-F409 HydrophobicContact CE2-CZ 4.23Å; F407-N442 HydrophobicContact CD1-CB 4.29Å; F407-N442 HydrophobicContact CD2-CB 4.26Å; F407-N442 WeakPolarHBondContact CD2-ND2 3.4Å; F407-N442 HydrophobicContact CE1-CB 4.19Å; F407-N442 HydrophobicContact CE2-CB 4.15Å; F407-N442 WeakPolarHBondContact CE2-ND2 3.43Å; F407-N442 HydrophobicContact CG-CB 4.31Å; F407-N442 WeakPolarHBondContact CG-ND2 3.13Å; F407-N442 HydrophobicContact CZ-CB 4.11Å; F407-I477 HydrophobicContact CE2-CD1 4.34Å
408	P	98.4	Very high	96.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.8	156.8	28.2	-29.4	0	0	0	110.5	T383 T393 Y397 N410 W431 N442	T383-P408 WeakPolarHBondContact O-CA 3.33Å; T393-P408 HydrophobicContact CG2-CB 3.92Å; T393-P408 HydrophobicContact CG2-CG 4.05Å; T393-P408 WeakPolarHBondContact O-CG 3.17Å; Y397-P408 HydrophobicContact CD2-CG 4.05Å; Y397-P408 HydrophobicContact CE2-CG 3.82Å; P408-N410 PolarHBondContact O-N 3.4Å; P408-W431 HydrophobicContact CG-CH2 3.92Å; P408-W431 HydrophobicContact CG-CZ2 4.29Å; P408-N442 PolarHBondContact O-ND2 3.37Å; P408-N442 PolarHBondContact O-OD1 3.11Å
409	F	98.3	Very high	96.5	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	26%	0.26	C	S	.	.			trans	-72.8	122.3	177	-72.5	-77.6	0	0	0	111.7	W161 S312 F380 T383 E384 Y386 F407 N411 N442 M444 I477	W161-F409 HydrophobicContact CE3-CE1 4.02Å; W161-F409 HydrophobicContact CE3-CZ 4.29Å; W161-F409 HydrophobicContact CH2-CD1 4.04Å; W161-F409 HydrophobicContact CH2-CD2 4.32Å; W161-F409 AromaticContact CH2-CE1 3.82Å; W161-F409 HydrophobicContact CH2-CE1 3.82Å; W161-F409 HydrophobicContact CH2-CE2 4.12Å; W161-F409 HydrophobicContact CH2-CG 4.27Å; W161-F409 AromaticContact CH2-CZ 3.86Å; W161-F409 HydrophobicContact CH2-CZ 3.86Å; W161-F409 HydrophobicContact CZ2-CZ 4.38Å; W161-F409 AromaticContact CZ3-CD1 3.78Å; W161-F409 HydrophobicContact CZ3-CD1 3.78Å; W161-F409 AromaticContact CZ3-CE1 3.4Å; W161-F409 HydrophobicContact CZ3-CE1 3.4Å; W161-F409 VanDerWaalsContact CZ3-CE1 3.4Å; W161-F409 HydrophobicContact CZ3-CE2 4.5Å; W161-F409 HydrophobicContact CZ3-CG 4.46Å; W161-F409 AromaticContact CZ3-CZ 3.81Å; W161-F409 HydrophobicContact CZ3-CZ 3.81Å; S312-F409 WeakPolarHBondContact OG-CE2 3.42Å; F380-F409 HydrophobicContact CE1-CZ 4.07Å; F380-F409 HydrophobicContact CZ-CZ 4.19Å; T383-F409 PolarHBondContact O-N 3.02Å; E384-F409 HydrophobicContact CG-CB 4.29Å; E384-F409 HydrophobicContact CG-CD2 3.47Å; E384-F409 VanDerWaalsContact CG-CD2 3.47Å; E384-F409 HydrophobicContact CG-CE2 4.15Å; E384-F409 HydrophobicContact CG-CG 4.17Å; Y386-F409 HydrophobicContact CE1-CB 4.27Å; F407-F409 HydrophobicContact CE2-CD1 4.03Å; F407-F409 AromaticContact CE2-CE1 3.74Å; F407-F409 HydrophobicContact CE2-CE1 3.74Å; F407-F409 HydrophobicContact CE2-CZ 4.23Å; F409-N411 PolarHBondContact O-N 3.14Å; F409-N442 WeakPolarHBondContact CA-ND2 3.26Å; F409-M444 HydrophobicContact CB-SD 4.03Å; F409-M444 HydrophobicContact CD1-SD 3.97Å; F409-M444 HydrophobicContact CG-SD 4.39Å; F409-I477 HydrophobicContact CD1-CD1 3.58Å; F409-I477 HydrophobicContact CE1-CD1 3.71Å
410	N	97.8	Very high	96.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.253	C	S	.	.			trans	-89	103.8	179.5	-179.4	4.2	0	0	0	111.8	P408 Y412 W431 N442 W443 M444	P408-N410 PolarHBondContact O-N 3.4Å; N410-Y412 VanDerWaalsContact OD1-CD2 3.32Å; N410-Y412 WeakPolarHBondContact OD1-CD2 3.3Å; N410-Y412 PolarHBondContact OD1-N 3.34Å; N410-Y412 VanDerWaalsContact OD1-N 3.16Å; N410-W431 HydrophobicContact CB-CD2 4.23Å; N410-W431 HydrophobicContact CB-CE3 3.91Å; N410-W431 HydrophobicContact CB-CH2 3.56Å; N410-W431 HydrophobicContact CB-CZ2 3.91Å; N410-W431 HydrophobicContact CB-CZ3 3.57Å; N410-W431 VanDerWaalsContact CG-CE3 3.47Å; N410-N442 VanDerWaalsContact CB-O 3.3Å; N410-N442 WeakPolarHBondContact CB-O 3.21Å; N410-N442 WeakPolarHBondContact CB-OD1 3.31Å; N410-N442 PolarHBondContact N-OD1 2.82Å; N410-N442 VanDerWaalsContact N-OD1 3.14Å; N410-N442 PolarHBondContact ND2-O 2.96Å; N410-W443 WeakPolarHBondContact ND2-CZ3 3.49Å; N410-M444 WeakPolarHBondContact O-CB 3.46Å; N410-M444 PolarHBondContact O-N 3.24Å
411	N	95.7	Very high	96.7	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	21%	0.212	C	C	.	.			trans	-104.2	9	176.9	78	-37	0	0	0	114	Y386 F409 L413 T414 M415	Y386-N411 HydrophobicContact CD1-CB 3.83Å; Y386-N411 VanDerWaalsContact CD1-ND2 3.28Å; Y386-N411 WeakPolarHBondContact CD1-ND2 3.04Å; Y386-N411 VanDerWaalsContact CD1-OD1 3.31Å; Y386-N411 WeakPolarHBondContact CD1-OD1 3.45Å; Y386-N411 HydrophobicContact CE1-CB 3.63Å; F409-N411 PolarHBondContact O-N 3.14Å; N411-L413 PolarHBondContact O-N 3.04Å; N411-T414 HydrophobicContact CB-CG2 4.2Å; N411-T414 WeakPolarHBondContact O-CA 3.46Å; N411-T414 WeakPolarHBondContact O-CB 3.34Å; N411-T414 PolarHBondContact O-N 3.03Å; N411-T414 PolarHBondContact O-OG1 3.22Å; N411-M415 PolarHBondContact O-N 3.24Å
412	Y	96.9	Very high	96.8	Very high	51 Å²	51	36 Å²	36	20%	0.2	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.6	-174.2	-70.7	-71.7	0	0	0	113.2	E388 I390 T393 N410 T414 M415 W431	E388-Y412 PolarHBondContact O-OH 3.39Å; I390-Y412 WeakPolarHBondContact CA-OH 3.3Å; I390-Y412 HydrophobicContact CD1-CD2 4.29Å; I390-Y412 HydrophobicContact CD1-CE2 3.56Å; I390-Y412 PolarHBondContact N-OH 2.91Å; T393-Y412 PolarHBondContact OG1-OH 3.47Å; N410-Y412 VanDerWaalsContact OD1-CD2 3.32Å; N410-Y412 WeakPolarHBondContact OD1-CD2 3.3Å; N410-Y412 PolarHBondContact OD1-N 3.34Å; N410-Y412 VanDerWaalsContact OD1-N 3.16Å; Y412-T414 VanDerWaalsContact C-N 3.33Å; Y412-M415 HydrophobicContact CD1-SD 4.21Å; Y412-M415 PolarHBondContact O-N 3.17Å; Y412-W431 HydrophobicContact CD2-CE3 4.05Å; Y412-W431 HydrophobicContact CD2-CZ3 4.17Å; Y412-W431 HydrophobicContact CE2-CE3 4.14Å; Y412-W431 HydrophobicContact CE2-CZ3 4.02Å
413	L	97.4	Very high	96.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.6	171.7	-71.5	174.7	0	0	0	112.7	N411 M415 L416 V427 W443 M444 I445 L468	N411-L413 PolarHBondContact O-N 3.04Å; L413-M415 VanDerWaalsContact C-N 3.29Å; L413-L416 HydrophobicContact CD2-CD1 4.01Å; L413-V427 HydrophobicContact CD2-CB 4.09Å; L413-V427 HydrophobicContact CD2-CG1 3.64Å; L413-V427 HydrophobicContact CG-CG1 3.76Å; L413-W443 HydrophobicContact CD1-CB 4.48Å; L413-W443 HydrophobicContact CD1-CE3 3.84Å; L413-W443 HydrophobicContact CG-CE3 4.46Å; L413-M444 WeakPolarHBondContact CB-O 3.41Å; L413-I445 HydrophobicContact CB-CG2 4.37Å; L413-I445 HydrophobicContact CD1-CG2 4.2Å; L413-L468 HydrophobicContact CD1-CD2 4.23Å; L413-L468 HydrophobicContact CD2-CD2 4.43Å
414	T	95.4	Very high	96.9	Very high	8 Å²	8	29 Å²	29	5%	0.049	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.1	176.2	82.6	0	0	0	0	111.9	N411 Y412 L416 M444 S450 R456	N411-T414 HydrophobicContact CB-CG2 4.2Å; N411-T414 WeakPolarHBondContact O-CA 3.46Å; N411-T414 WeakPolarHBondContact O-CB 3.34Å; N411-T414 PolarHBondContact O-N 3.03Å; N411-T414 PolarHBondContact O-OG1 3.22Å; Y412-T414 VanDerWaalsContact C-N 3.33Å; T414-L416 VanDerWaalsContact C-N 3.26Å; T414-L416 PolarHBondContact O-N 3.28Å; T414-M444 HydrophobicContact CG2-CB 3.99Å; T414-M444 VanDerWaalsContact CG2-O 3.32Å; T414-M444 WeakPolarHBondContact CG2-O 3.36Å; T414-S450 PolarHBondContact OG1-OG 2.69Å; T414-R456 PolarHBondContact O-NE 3.21Å
415	M	93.9	Very high	97	Very high	104 Å²	104	31 Å²	31	51%	0.512	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.2	178.1	-61.7	-178.1	65.7	0	0	114	N411 Y412 L413 D417	N411-M415 PolarHBondContact O-N 3.24Å; Y412-M415 HydrophobicContact CD1-SD 4.21Å; Y412-M415 PolarHBondContact O-N 3.17Å; L413-M415 VanDerWaalsContact C-N 3.29Å; M415-D417 PolarHBondContact O-N 3.05Å
416	L	95.1	Very high	96.9	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.126	19%	0.192	C	C	.	.			trans	-78.6	104.1	174.8	-64.2	-179.8	0	0	0	110.1	L413 T414 T418 V424 V427 R456 L457	L413-L416 HydrophobicContact CD2-CD1 4.01Å; T414-L416 VanDerWaalsContact C-N 3.26Å; T414-L416 PolarHBondContact O-N 3.28Å; L416-T418 VanDerWaalsContact C-N 3.35Å; L416-V424 HydrophobicContact CD1-CG2 4.25Å; L416-V427 HydrophobicContact CD1-CG2 4.35Å; L416-V427 HydrophobicContact CD2-CG2 4.22Å; L416-V427 HydrophobicContact CG-CG2 4.48Å; L416-R456 WeakPolarHBondContact O-CD 3.49Å; L416-R456 PolarHBondContact O-NE 3.47Å; L416-L457 WeakPolarHBondContact O-CD2 3.34Å
417	D	93.1	Very high	96.9	Very high	121 Å²	121	36.5 Å²	36.5	65%	0.647	19%	0.194	S	C	*	.	S	Bend	trans	-79.4	-20.7	170.9	-68.4	-32.4	0	0	0	112.6	M415	M415-D417 PolarHBondContact O-N 3.05Å
418	T	94	Very high	96.9	Very high	113 Å²	113	36.7 Å²	36.7	69%	0.693	20%	0.195	S	C	*	.	S	Bend	trans	-135.5	148.5	170.7	60.2	0	0	0	0	109.1	L416	L416-T418 VanDerWaalsContact C-N 3.35Å
419	V	96.4	Very high	96.9	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.127	20%	0.198	C	C	.	.			trans	-116	139.3	-176.2	75.5	0	0	0	0	110.7	V424 L457 Y461 F599	V419-V424 HydrophobicContact CG2-CG2 3.43Å; V419-V424 VanDerWaalsContact CG2-CG2 3.43Å; V419-L457 HydrophobicContact CB-CD1 4.09Å; V419-L457 HydrophobicContact CB-CD2 4.12Å; V419-L457 HydrophobicContact CG1-CD1 4.41Å; V419-L457 HydrophobicContact CG1-CD2 4.5Å; V419-L457 HydrophobicContact CG2-CD1 4.5Å; V419-Y461 HydrophobicContact CG1-CD1 3.82Å; V419-Y461 HydrophobicContact CG1-CD2 4.11Å; V419-Y461 HydrophobicContact CG1-CE1 3.54Å; V419-Y461 HydrophobicContact CG1-CE2 3.85Å; V419-Y461 HydrophobicContact CG1-CG 4.09Å; V419-F599 HydrophobicContact CG1-CD1 4.47Å; V419-F599 HydrophobicContact CG2-CB 4.1Å; V419-F599 HydrophobicContact CG2-CD1 3.51Å; V419-F599 HydrophobicContact CG2-CE1 4.2Å; V419-F599 HydrophobicContact CG2-CG 3.97Å
420	S	97.6	Very high	96.9	Very high	38 Å²	38	39.1 Å²	39.1	27%	0.266	21%	0.211	S	C	.	.			trans	-151.1	164	175.4	68.2	0	0	0	0	109	N422 S423 V424	S420-N422 PolarHBondContact O-N 3.37Å; S420-S423 PolarHBondContact N-OG 3.31Å; S420-S423 PolarHBondContact O-N 2.97Å; S420-S423 PolarHBondContact O-OG 3.24Å; S420-S423 WeakPolarHBondContact OG-CB 3.44Å; S420-S423 PolarHBondContact OG-N 3.46Å; S420-S423 PolarHBondContact OG-OG 3.45Å; S420-V424 WeakPolarHBondContact O-CG2 3.4Å; S420-V424 PolarHBondContact O-N 2.94Å; S420-V424 VanDerWaalsContact O-N 3.15Å
421	G	97.8	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-40.1	174.6	0	0	0	0	0	112	Y425 D576 S577 V580	G421-Y425 WeakPolarHBondContact O-CB 3.46Å; G421-Y425 PolarHBondContact O-N 3.34Å; G421-D576 CarbonylContact C-O 3.43Å; G421-D576 VanDerWaalsContact CA-O 3.29Å; G421-D576 WeakPolarHBondContact CA-O 3.47Å; G421-S577 PolarHBondContact N-O 3.39Å; G421-V580 WeakPolarHBondContact O-CG2 3.36Å
422	N	98.1	Very high	97	Very high	56 Å²	56	38.5 Å²	38.5	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-67.9	-48.7	179.6	-59.3	119.4	0	0	0	112.8	S420 V424 Y425 E426 N575 D576 S577	S420-N422 PolarHBondContact O-N 3.37Å; N422-V424 VanDerWaalsContact C-N 3.35Å; N422-V424 PolarHBondContact O-N 2.91Å; N422-Y425 PolarHBondContact O-N 3.44Å; N422-E426 WeakPolarHBondContact O-CB 3.42Å; N422-E426 WeakPolarHBondContact O-CG 3.42Å; N422-E426 PolarHBondContact O-N 3.24Å; N422-N575 WeakPolarHBondContact CA-OD1 3.47Å; N422-N575 PolarHBondContact ND2-ND2 2.74Å; N422-N575 VanDerWaalsContact ND2-ND2 3.17Å; N422-N575 PolarHBondContact ND2-OD1 3Å; N422-D576 PolarHBondContact N-O 3.17Å; N422-S577 VanDerWaalsContact OD1-CA 3.25Å; N422-S577 WeakPolarHBondContact OD1-CA 3.34Å; N422-S577 WeakPolarHBondContact OD1-CB 3.36Å
423	S	97.9	Very high	97	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-38.5	-177.1	59.8	0	0	0	0	112.2	S420 V427	S420-S423 PolarHBondContact N-OG 3.31Å; S420-S423 PolarHBondContact O-N 2.97Å; S420-S423 PolarHBondContact O-OG 3.24Å; S420-S423 WeakPolarHBondContact OG-CB 3.44Å; S420-S423 PolarHBondContact OG-N 3.46Å; S420-S423 PolarHBondContact OG-OG 3.45Å; S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 2.69Å
424	V	98.4	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-44	174.8	176.4	0	0	0	0	110.9	L416 V419 S420 N422 E426 V427 I428 L468 V580 F599	L416-V424 HydrophobicContact CD1-CG2 4.25Å; V419-V424 HydrophobicContact CG2-CG2 3.43Å; V419-V424 VanDerWaalsContact CG2-CG2 3.43Å; S420-V424 WeakPolarHBondContact O-CG2 3.4Å; S420-V424 PolarHBondContact O-N 2.94Å; S420-V424 VanDerWaalsContact O-N 3.15Å; N422-V424 VanDerWaalsContact C-N 3.35Å; N422-V424 PolarHBondContact O-N 2.91Å; V424-E426 PolarHBondContact O-N 2.95Å; V424-V427 PolarHBondContact O-N 3.22Å; V424-I428 HydrophobicContact CG1-CD1 3.62Å; V424-I428 HydrophobicContact CG1-CG1 4.44Å; V424-I428 WeakPolarHBondContact O-CD1 3.4Å; V424-I428 VanDerWaalsContact O-CG1 3.26Å; V424-I428 WeakPolarHBondContact O-CG1 3.46Å; V424-I428 PolarHBondContact O-N 2.86Å; V424-I428 VanDerWaalsContact O-N 3.1Å; V424-L468 HydrophobicContact CG1-CD2 3.86Å; V424-V580 HydrophobicContact CB-CG2 4.1Å; V424-V580 HydrophobicContact CG1-CG2 4.03Å; V424-F599 HydrophobicContact CB-CD2 4.15Å; V424-F599 HydrophobicContact CB-CE2 4.07Å; V424-F599 HydrophobicContact CG1-CD2 4.29Å; V424-F599 HydrophobicContact CG1-CE2 3.71Å; V424-F599 HydrophobicContact CG1-CZ 4.02Å; V424-F599 HydrophobicContact CG2-CD1 4.19Å; V424-F599 HydrophobicContact CG2-CD2 3.99Å; V424-F599 HydrophobicContact CG2-CE1 4.26Å; V424-F599 HydrophobicContact CG2-CE2 4.05Å; V424-F599 HydrophobicContact CG2-CG 4.06Å; V424-F599 HydrophobicContact CG2-CZ 4.19Å
425	Y	98.4	Very high	97.2	Very high	41 Å²	41	45.6 Å²	45.6	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-48.5	176.4	-179.1	-85.2	0	0	0	111.6	G421 N422 V427 I428 T429 H572 L573 N575	G421-Y425 WeakPolarHBondContact O-CB 3.46Å; G421-Y425 PolarHBondContact O-N 3.34Å; N422-Y425 PolarHBondContact O-N 3.44Å; Y425-V427 PolarHBondContact O-N 3.1Å; Y425-I428 PolarHBondContact O-N 3.17Å; Y425-T429 HydrophobicContact CD1-CG2 4.01Å; Y425-T429 HydrophobicContact CD2-CG2 4.45Å; Y425-T429 HydrophobicContact CE1-CG2 3.56Å; Y425-T429 HydrophobicContact CE2-CG2 4.07Å; Y425-T429 HydrophobicContact CG-CG2 4.43Å; Y425-T429 PolarHBondContact O-N 3.07Å; Y425-T429 PolarHBondContact O-OG1 3.22Å; Y425-T429 VanDerWaalsContact O-OG1 3.08Å; Y425-H572 AromaticContact CE2-ND1 3.49Å; Y425-H572 WeakPolarHBondContact CE2-ND1 3.1Å; Y425-H572 AromaticContact CZ-CE1 3.88Å; Y425-H572 AromaticContact CZ-ND1 3.6Å; Y425-H572 PolarHBondContact OH-CE1 3.03Å; Y425-H572 PolarHBondContact OH-ND1 2.76Å; Y425-H572 VanDerWaalsContact OH-ND1 3.09Å; Y425-L573 WeakPolarHBondContact CE2-O 3.42Å; Y425-N575 HydrophobicContact CD1-CB 3.78Å; Y425-N575 HydrophobicContact CD2-CB 4.12Å; Y425-N575 HydrophobicContact CE1-CB 3.81Å; Y425-N575 HydrophobicContact CE2-CB 4.13Å; Y425-N575 HydrophobicContact CG-CB 3.94Å
426	E	97.9	Very high	97.4	Very high	117 Å²	117	43 Å²	43	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-42.7	-179	-75.8	173.4	-172.3	0	0	112.6	N422 V424 T429 S430	N422-E426 WeakPolarHBondContact O-CB 3.42Å; N422-E426 WeakPolarHBondContact O-CG 3.42Å; N422-E426 PolarHBondContact O-N 3.24Å; V424-E426 PolarHBondContact O-N 2.95Å; E426-T429 PolarHBondContact O-OG1 3.46Å; E426-S430 WeakPolarHBondContact O-CB 3.25Å; E426-S430 PolarHBondContact O-N 3.3Å
427	V	98.1	Very high	97.4	Very high	23 Å²	23	50.6 Å²	50.6	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-44.1	176.3	171.1	0	0	0	0	111	L413 L416 S423 V424 Y425 W431	L413-V427 HydrophobicContact CD2-CB 4.09Å; L413-V427 HydrophobicContact CD2-CG1 3.64Å; L413-V427 HydrophobicContact CG-CG1 3.76Å; L416-V427 HydrophobicContact CD1-CG2 4.35Å; L416-V427 HydrophobicContact CD2-CG2 4.22Å; L416-V427 HydrophobicContact CG-CG2 4.48Å; S423-V427 WeakPolarHBondContact O-CG2 3.48Å; S423-V427 PolarHBondContact O-N 2.69Å; V424-V427 PolarHBondContact O-N 3.22Å; Y425-V427 PolarHBondContact O-N 3.1Å; V427-W431 PolarHBondContact O-N 2.97Å
428	I	98.5	Very high	97.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-51.3	-179.5	-64.8	160.6	0	0	0	110.8	V424 Y425 W431 M432 W443 L468 L472 F570 V580	V424-I428 HydrophobicContact CG1-CD1 3.62Å; V424-I428 HydrophobicContact CG1-CG1 4.44Å; V424-I428 WeakPolarHBondContact O-CD1 3.4Å; V424-I428 VanDerWaalsContact O-CG1 3.26Å; V424-I428 WeakPolarHBondContact O-CG1 3.46Å; V424-I428 PolarHBondContact O-N 2.86Å; V424-I428 VanDerWaalsContact O-N 3.1Å; Y425-I428 PolarHBondContact O-N 3.17Å; I428-W431 PolarHBondContact O-N 3.24Å; I428-M432 HydrophobicContact CG2-CG 4.42Å; I428-M432 VanDerWaalsContact O-CG 3.31Å; I428-M432 WeakPolarHBondContact O-CG 3.28Å; I428-M432 PolarHBondContact O-N 3.28Å; I428-M432 VanDerWaalsContact O-N 3.13Å; I428-W443 HydrophobicContact CB-CH2 4.3Å; I428-W443 HydrophobicContact CG1-CH2 4.36Å; I428-W443 HydrophobicContact CG1-CZ3 4.26Å; I428-W443 HydrophobicContact CG2-CH2 4.12Å; I428-L468 HydrophobicContact CD1-CD1 3.95Å; I428-L472 HydrophobicContact CD1-CD1 4.44Å; I428-L472 HydrophobicContact CD1-CD2 4.04Å; I428-L472 HydrophobicContact CG1-CD1 4.2Å; I428-L472 HydrophobicContact CG1-CD2 4.18Å; I428-L472 HydrophobicContact CG2-CD2 3.99Å; I428-F570 HydrophobicContact CG2-CE1 3.99Å; I428-F570 HydrophobicContact CG2-CZ 3.61Å; I428-V580 HydrophobicContact CD1-CG1 4.36Å
429	T	97.9	Very high	97.8	Very high	13 Å²	13	44 Å²	44	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-67.9	-38.4	-177	55.8	0	0	0	0	111.7	Y425 E426 W431 M432 E433	Y425-T429 HydrophobicContact CD1-CG2 4.01Å; Y425-T429 HydrophobicContact CD2-CG2 4.45Å; Y425-T429 HydrophobicContact CE1-CG2 3.56Å; Y425-T429 HydrophobicContact CE2-CG2 4.07Å; Y425-T429 HydrophobicContact CG-CG2 4.43Å; Y425-T429 PolarHBondContact O-N 3.07Å; Y425-T429 PolarHBondContact O-OG1 3.22Å; Y425-T429 VanDerWaalsContact O-OG1 3.08Å; E426-T429 PolarHBondContact O-OG1 3.46Å; T429-W431 VanDerWaalsContact C-N 3.32Å; T429-W431 PolarHBondContact O-N 3.08Å; T429-M432 PolarHBondContact O-N 3.1Å; T429-E433 VanDerWaalsContact O-CB 3.26Å; T429-E433 WeakPolarHBondContact O-CB 3.45Å; T429-E433 VanDerWaalsContact O-CG 3.24Å; T429-E433 WeakPolarHBondContact O-CG 3.45Å; T429-E433 PolarHBondContact O-N 3.43Å
430	S	97.9	Very high	97.9	Very high	41 Å²	41	43.5 Å²	43.5	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-55.7	-46	176.5	-179.1	0	0	0	0	111.7	E426 N434	E426-S430 WeakPolarHBondContact O-CB 3.25Å; E426-S430 PolarHBondContact O-N 3.3Å; S430-N434 WeakPolarHBondContact O-CB 3.39Å; S430-N434 PolarHBondContact O-N 3.45Å; S430-N434 PolarHBondContact O-ND2 3.19Å
431	W	98.4	Very high	97.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-49.5	176.8	-170.3	-86.3	0	0	0	112.3	I390 T393 Y397 P408 N410 Y412 V427 I428 T429 E433 N434 M435 W443	I390-W431 HydrophobicContact CD1-CD2 4.41Å; I390-W431 HydrophobicContact CD1-CE3 3.55Å; I390-W431 HydrophobicContact CD1-CZ3 4.01Å; T393-W431 HydrophobicContact CG2-CH2 4.11Å; T393-W431 HydrophobicContact CG2-CZ3 3.94Å; Y397-W431 AromaticContact CE2-CZ2 3.93Å; Y397-W431 HydrophobicContact CE2-CZ2 3.93Å; Y397-W431 VanDerWaalsContact OH-CZ2 3.31Å; Y397-W431 WeakPolarHBondContact OH-CZ2 3.35Å; P408-W431 HydrophobicContact CG-CH2 3.92Å; P408-W431 HydrophobicContact CG-CZ2 4.29Å; N410-W431 HydrophobicContact CB-CD2 4.23Å; N410-W431 HydrophobicContact CB-CE3 3.91Å; N410-W431 HydrophobicContact CB-CH2 3.56Å; N410-W431 HydrophobicContact CB-CZ2 3.91Å; N410-W431 HydrophobicContact CB-CZ3 3.57Å; N410-W431 VanDerWaalsContact CG-CE3 3.47Å; Y412-W431 HydrophobicContact CD2-CE3 4.05Å; Y412-W431 HydrophobicContact CD2-CZ3 4.17Å; Y412-W431 HydrophobicContact CE2-CE3 4.14Å; Y412-W431 HydrophobicContact CE2-CZ3 4.02Å; V427-W431 PolarHBondContact O-N 2.97Å; I428-W431 PolarHBondContact O-N 3.24Å; T429-W431 VanDerWaalsContact C-N 3.32Å; T429-W431 PolarHBondContact O-N 3.08Å; W431-E433 VanDerWaalsContact C-N 3.32Å; W431-E433 PolarHBondContact O-N 3.3Å; W431-N434 PolarHBondContact O-N 3.08Å; W431-M435 VanDerWaalsContact O-CB 3.23Å; W431-M435 WeakPolarHBondContact O-CB 3.22Å; W431-M435 PolarHBondContact O-N 3.36Å; W431-W443 HydrophobicContact CB-CH2 3.93Å; W431-W443 HydrophobicContact CB-CZ3 4.29Å; W431-W443 HydrophobicContact CG-CH2 4.26Å
432	M	98.2	Very high	98	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-30.5	-173.6	-64.4	-56.5	-63.1	0	0	113.3	I428 T429 M435 P441 W443 P473 F570 F667	I428-M432 HydrophobicContact CG2-CG 4.42Å; I428-M432 VanDerWaalsContact O-CG 3.31Å; I428-M432 WeakPolarHBondContact O-CG 3.28Å; I428-M432 PolarHBondContact O-N 3.28Å; I428-M432 VanDerWaalsContact O-N 3.13Å; T429-M432 PolarHBondContact O-N 3.1Å; M432-M435 HydrophobicContact CE-CE 4.49Å; M432-P441 HydrophobicContact CE-CG 4.42Å; M432-P441 HydrophobicContact SD-CB 4.08Å; M432-P441 HydrophobicContact SD-CG 4.07Å; M432-W443 HydrophobicContact CG-CH2 4.42Å; M432-W443 HydrophobicContact CG-CZ2 4.37Å; M432-W443 HydrophobicContact SD-CH2 4.48Å; M432-W443 HydrophobicContact SD-CZ2 3.94Å; M432-P473 HydrophobicContact CE-CG 3.86Å; M432-P473 HydrophobicContact SD-CG 4.1Å; M432-F570 HydrophobicContact CE-CD1 4.29Å; M432-F570 HydrophobicContact CG-CD1 4.4Å; M432-F570 HydrophobicContact CG-CE1 4.2Å; M432-F667 HydrophobicContact CB-CD1 4.17Å; M432-F667 HydrophobicContact CB-CD2 4.15Å; M432-F667 HydrophobicContact CB-CE1 4.15Å; M432-F667 HydrophobicContact CB-CE2 4.13Å; M432-F667 HydrophobicContact CB-CG 4.18Å; M432-F667 HydrophobicContact CB-CZ 4.12Å; M432-F667 HydrophobicContact CE-CB 3.42Å; M432-F667 VanDerWaalsContact CE-CB 3.42Å; M432-F667 HydrophobicContact CE-CD1 4.39Å; M432-F667 HydrophobicContact CE-CD2 4.37Å; M432-F667 HydrophobicContact CE-CG 3.83Å; M432-F667 WeakPolarHBondContact O-CD1 3.26Å; M432-F667 VanDerWaalsContact O-CE1 3.22Å; M432-F667 WeakPolarHBondContact O-CE1 3.09Å
433	E	97.4	Very high	98	Very high	118 Å²	118	39 Å²	39	55%	0.551	21%	0.207	S	C	*	.	H	α-helix	trans	-82.5	-30.9	178.9	-68.6	172.4	-177.6	0	0	113.2	T429 W431 F667	T429-E433 VanDerWaalsContact O-CB 3.26Å; T429-E433 WeakPolarHBondContact O-CB 3.45Å; T429-E433 VanDerWaalsContact O-CG 3.24Å; T429-E433 WeakPolarHBondContact O-CG 3.45Å; T429-E433 PolarHBondContact O-N 3.43Å; W431-E433 VanDerWaalsContact C-N 3.32Å; W431-E433 PolarHBondContact O-N 3.3Å; E433-F667 HydrophobicContact CG-CE1 4.42Å; E433-F667 HydrophobicContact CG-CZ 3.95Å
434	N	97.9	Very high	98	Very high	73 Å²	73	38.1 Å²	38.1	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-92.5	-26.2	-178.1	-72.3	-82.2	0	0	0	113.5	I390 V394 S430 W431	I390-N434 HydrophobicContact CG1-CB 3.85Å; V394-N434 HydrophobicContact CG1-CB 4.18Å; S430-N434 WeakPolarHBondContact O-CB 3.39Å; S430-N434 PolarHBondContact O-N 3.45Å; S430-N434 PolarHBondContact O-ND2 3.19Å; W431-N434 PolarHBondContact O-N 3.08Å
435	M	97.6	Very high	98	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.089	20%	0.2	C	C	.	.	S	Bend	trans	-63.4	137.2	175.8	177.8	-176.5	71.4	0	0	110.5	Y397 W431 M432 K439 P441	Y397-M435 HydrophobicContact CD2-CG 4.05Å; Y397-M435 HydrophobicContact CE1-CG 4.5Å; Y397-M435 HydrophobicContact CE1-SD 4.25Å; Y397-M435 HydrophobicContact CE2-CB 4.27Å; Y397-M435 HydrophobicContact CE2-CG 3.55Å; Y397-M435 HydrophobicContact CE2-SD 3.99Å; Y397-M435 PolarHBondContact OH-SD 3.42Å; W431-M435 VanDerWaalsContact O-CB 3.23Å; W431-M435 WeakPolarHBondContact O-CB 3.22Å; W431-M435 PolarHBondContact O-N 3.36Å; M432-M435 HydrophobicContact CE-CE 4.49Å; M435-K439 HydrophobicContact CE-CB 4.47Å; M435-K439 WeakPolarHBondContact CE-O 3.08Å; M435-K439 HydrophobicContact CG-CB 3.76Å; M435-K439 HydrophobicContact SD-CB 3.84Å; M435-P441 HydrophobicContact CE-CB 4.28Å; M435-P441 HydrophobicContact CE-CG 4.29Å; M435-P441 HydrophobicContact SD-CB 4.05Å
436	P	98	Very high	97.9	Very high	48 Å²	48	36.3 Å²	36.3	31%	0.312	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-58.5	141.8	177.2	-22.2	31.6	0	0	0	112.7	G438 K439	P436-G438 PolarHBondContact O-N 3.21Å; P436-K439 HydrophobicContact CB-CG 3.83Å; P436-K439 HydrophobicContact CG-CG 4.24Å; P436-K439 VanDerWaalsContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CB 3.45Å; P436-K439 WeakPolarHBondContact O-CG 3.38Å; P436-K439 PolarHBondContact O-N 2.86Å; P436-K439 VanDerWaalsContact O-N 3.11Å
437	E	96.6	Very high	97.8	Very high	185 Å²	185	31.1 Å²	31.1	86%	0.864	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	135	-178.6	-171.4	177.9	-176.7	0	0	111.7	K439	E437-K439 VanDerWaalsContact C-N 3.26Å; E437-K439 PolarHBondContact O-N 3.46Å
438	G	95.8	Very high	97.7	Very high	40 Å²	40	30.9 Å²	30.9	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	-6	179.8	0	0	0	0	0	115.5	P436	P436-G438 PolarHBondContact O-N 3.21Å
439	K	98.1	Very high	97.3	Very high	54 Å²	54	33.7 Å²	33.7	24%	0.235	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-73.6	161.9	172	-66.1	-70.1	-179.6	164.1	0	111.7	Y397 M435 P436 E437 S669	Y397-K439 HydrophobicContact CD1-CB 3.8Å; Y397-K439 HydrophobicContact CD1-CD 3.88Å; Y397-K439 HydrophobicContact CD1-CG 3.96Å; Y397-K439 HydrophobicContact CE1-CB 3.88Å; Y397-K439 HydrophobicContact CG-CB 4.26Å; Y397-K439 HydrophobicContact CG-CD 4.33Å; Y397-K439 HydrophobicContact CG-CG 4.16Å; Y397-K439 WeakPolarHBondContact O-CE 3.43Å; Y397-K439 PolarHBondContact O-NZ 2.93Å; M435-K439 HydrophobicContact CE-CB 4.47Å; M435-K439 WeakPolarHBondContact CE-O 3.08Å; M435-K439 HydrophobicContact CG-CB 3.76Å; M435-K439 HydrophobicContact SD-CB 3.84Å; P436-K439 HydrophobicContact CB-CG 3.83Å; P436-K439 HydrophobicContact CG-CG 4.24Å; P436-K439 VanDerWaalsContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CB 3.45Å; P436-K439 WeakPolarHBondContact O-CG 3.38Å; P436-K439 PolarHBondContact O-N 2.86Å; P436-K439 VanDerWaalsContact O-N 3.11Å; E437-K439 VanDerWaalsContact C-N 3.26Å; E437-K439 PolarHBondContact O-N 3.46Å; K439-S669 WeakPolarHBondContact O-CB 3.49Å; K439-S669 PolarHBondContact O-OG 3.13Å
440	W	98.6	Very high	97.1	Very high	11 Å²	11	34.4 Å²	34.4	4%	0.042	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-99.7	120.7	-172.8	-165.4	-94.2	0	0	0	111	L115 W118 Q119 Y397 T475 N566	L115-W440 HydrophobicContact CD1-CH2 4.23Å; L115-W440 HydrophobicContact CD2-CH2 3.73Å; L115-W440 HydrophobicContact CD2-CZ3 3.65Å; W118-W440 HydrophobicContact CH2-CB 3.78Å; W118-W440 HydrophobicContact CH2-CG 4.09Å; W118-W440 HydrophobicContact CZ3-CB 3.66Å; W118-W440 AromaticContact CZ3-CD1 3.46Å; W118-W440 VanDerWaalsContact CZ3-CD1 3.46Å; W118-W440 AromaticContact CZ3-CG 3.6Å; W118-W440 HydrophobicContact CZ3-CG 3.6Å; Q119-W440 HydrophobicContact CB-CD2 4.08Å; Q119-W440 HydrophobicContact CB-CE3 4.46Å; Q119-W440 HydrophobicContact CB-CH2 4.06Å; Q119-W440 HydrophobicContact CB-CZ2 3.63Å; Q119-W440 HydrophobicContact CB-CZ3 4.45Å; Q119-W440 HydrophobicContact CG-CD2 3.8Å; Q119-W440 HydrophobicContact CG-CE3 4.24Å; Q119-W440 HydrophobicContact CG-CG 4.06Å; Q119-W440 HydrophobicContact CG-CZ2 4.29Å; Q119-W440 VanDerWaalsContact NE2-CE3 3.33Å; Q119-W440 VanDerWaalsContact O-CZ2 3.27Å; Q119-W440 WeakPolarHBondContact O-CZ2 3.1Å; Y397-W440 WeakPolarHBondContact CE1-O 3.25Å; Y397-W440 PolarHBondContact OH-O 3.45Å; W440-T475 PolarHBondContact NE1-OG1 3.49Å; W440-N566 WeakPolarHBondContact CH2-O 3.36Å
441	P	98.7	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-79.6	165.9	177.7	30.3	-29.7	0	0	0	111.9	M432 M435 W443 P473 G474 T475	M432-P441 HydrophobicContact CE-CG 4.42Å; M432-P441 HydrophobicContact SD-CB 4.08Å; M432-P441 HydrophobicContact SD-CG 4.07Å; M435-P441 HydrophobicContact CE-CB 4.28Å; M435-P441 HydrophobicContact CE-CG 4.29Å; M435-P441 HydrophobicContact SD-CB 4.05Å; P441-W443 HydrophobicContact CB-CZ2 4.45Å; P441-P473 HydrophobicContact CG-CB 4.32Å; P441-P473 HydrophobicContact CG-CG 4.23Å; P441-P473 WeakPolarHBondContact CG-O 3.44Å; P441-G474 CarbonylContact O-C 3.54Å; P441-G474 WeakPolarHBondContact O-CA 3.29Å; P441-T475 PolarHBondContact O-N 3.23Å
442	N	98.8	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.2	170.7	65.8	1	0	0	0	109.8	F407 P408 F409 N410 T475 I477	F407-N442 HydrophobicContact CD1-CB 4.29Å; F407-N442 HydrophobicContact CD2-CB 4.26Å; F407-N442 WeakPolarHBondContact CD2-ND2 3.4Å; F407-N442 HydrophobicContact CE1-CB 4.19Å; F407-N442 HydrophobicContact CE2-CB 4.15Å; F407-N442 WeakPolarHBondContact CE2-ND2 3.43Å; F407-N442 HydrophobicContact CG-CB 4.31Å; F407-N442 WeakPolarHBondContact CG-ND2 3.13Å; F407-N442 HydrophobicContact CZ-CB 4.11Å; P408-N442 PolarHBondContact O-ND2 3.37Å; P408-N442 PolarHBondContact O-OD1 3.11Å; F409-N442 WeakPolarHBondContact CA-ND2 3.26Å; N410-N442 VanDerWaalsContact CB-O 3.3Å; N410-N442 WeakPolarHBondContact CB-O 3.21Å; N410-N442 WeakPolarHBondContact CB-OD1 3.31Å; N410-N442 PolarHBondContact N-OD1 2.82Å; N410-N442 VanDerWaalsContact N-OD1 3.14Å; N410-N442 PolarHBondContact ND2-O 2.96Å; N442-T475 VanDerWaalsContact CA-O 3.31Å; N442-T475 WeakPolarHBondContact CA-O 3.38Å; N442-T475 WeakPolarHBondContact CB-O 3.44Å; N442-I477 HydrophobicContact CB-CD1 4.05Å
443	W	98.8	Very high	96.9	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.9	-177.7	-51.5	93.4	0	0	0	111	N410 L413 I428 W431 M432 P441 L469 L472 P473 T475 I477	N410-W443 WeakPolarHBondContact ND2-CZ3 3.49Å; L413-W443 HydrophobicContact CD1-CB 4.48Å; L413-W443 HydrophobicContact CD1-CE3 3.84Å; L413-W443 HydrophobicContact CG-CE3 4.46Å; I428-W443 HydrophobicContact CB-CH2 4.3Å; I428-W443 HydrophobicContact CG1-CH2 4.36Å; I428-W443 HydrophobicContact CG1-CZ3 4.26Å; I428-W443 HydrophobicContact CG2-CH2 4.12Å; W431-W443 HydrophobicContact CB-CH2 3.93Å; W431-W443 HydrophobicContact CB-CZ3 4.29Å; W431-W443 HydrophobicContact CG-CH2 4.26Å; M432-W443 HydrophobicContact CG-CH2 4.42Å; M432-W443 HydrophobicContact CG-CZ2 4.37Å; M432-W443 HydrophobicContact SD-CH2 4.48Å; M432-W443 HydrophobicContact SD-CZ2 3.94Å; P441-W443 HydrophobicContact CB-CZ2 4.45Å; W443-L469 HydrophobicContact CB-CD1 3.75Å; W443-L469 VanDerWaalsContact O-CD1 3.24Å; W443-L469 WeakPolarHBondContact O-CD1 3.39Å; W443-L472 HydrophobicContact CD2-CB 4.4Å; W443-L472 HydrophobicContact CD2-CD1 3.51Å; W443-L472 HydrophobicContact CE3-CD1 3.81Å; W443-L472 HydrophobicContact CG-CB 4.32Å; W443-L472 HydrophobicContact CG-CD1 3.85Å; W443-L472 HydrophobicContact CH2-CD1 4.39Å; W443-L472 HydrophobicContact CZ2-CD1 4.13Å; W443-L472 HydrophobicContact CZ3-CD1 4.24Å; W443-P473 PolarHBondContact NE1-O 3.16Å; W443-T475 PolarHBondContact N-O 2.84Å; W443-I477 PolarHBondContact O-N 2.9Å
444	M	98.4	Very high	96.9	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.5	173.9	-62.4	175.2	76.2	0	0	109.6	W161 F409 N410 L413 T414 I477	W161-M444 HydrophobicContact CH2-CE 4.31Å; W161-M444 HydrophobicContact CZ3-CE 3.9Å; F409-M444 HydrophobicContact CB-SD 4.03Å; F409-M444 HydrophobicContact CD1-SD 3.97Å; F409-M444 HydrophobicContact CG-SD 4.39Å; N410-M444 WeakPolarHBondContact O-CB 3.46Å; N410-M444 PolarHBondContact O-N 3.24Å; L413-M444 WeakPolarHBondContact CB-O 3.41Å; T414-M444 HydrophobicContact CG2-CB 3.99Å; T414-M444 VanDerWaalsContact CG2-O 3.32Å; T414-M444 WeakPolarHBondContact CG2-O 3.36Å; M444-I477 HydrophobicContact CE-CG2 4.03Å; M444-I477 HydrophobicContact CG-CB 3.69Å; M444-I477 HydrophobicContact CG-CD1 3.87Å; M444-I477 HydrophobicContact CG-CG1 4.34Å; M444-I477 HydrophobicContact CG-CG2 3.86Å; M444-I477 HydrophobicContact SD-CD1 4.21Å; M444-I477 HydrophobicContact SD-CG2 4.33Å
445	I	98.2	Very high	96.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-114.3	-3	176.7	63.7	179.4	0	0	0	113.2	L413 L453 R456 M465 L469	L413-I445 HydrophobicContact CB-CG2 4.37Å; L413-I445 HydrophobicContact CD1-CG2 4.2Å; I445-L453 HydrophobicContact CD1-CD2 4.11Å; I445-R456 PolarHBondContact O-NH1 3.34Å; I445-R456 PolarHBondContact O-NH2 3.02Å; I445-M465 HydrophobicContact CB-CE 4.27Å; I445-M465 HydrophobicContact CD1-CB 4.11Å; I445-M465 HydrophobicContact CG2-CE 3.82Å; I445-L469 HydrophobicContact CD1-CD2 4.05Å; I445-L469 HydrophobicContact CG1-CD2 4.31Å
446	G	96.8	Very high	96.8	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.031	18%	0.177	C	C	.	.			trans	-166.4	-174.1	171.3	0	0	0	0	0	111.7	E482	G446-E482 WeakPolarHBondContact CA-OE1 3.49Å; G446-E482 PolarHBondContact N-OE1 3.29Å
447	G	96.1	Very high	96.7	Very high	7 Å²	7	29 Å²	29	7%	0.072	17%	0.167	C	C	.	.			trans	172.8	177.5	-176.4	0	0	0	0	0	111.2	D449 S450	G447-D449 PolarHBondContact O-N 2.77Å; G447-S450 PolarHBondContact O-N 3.45Å
448	P	94.4	Very high	96.7	Very high	18 Å²	18	21 Å²	21	12%	0.117	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.8	-177.1	27	-35.4	0	0	0	113.8	Q125 Y127 Y479 S505 K506	Q125-P448 VanDerWaalsContact OE1-CD 3.31Å; Y127-P448 HydrophobicContact CD2-CB 4.49Å; P448-Y479 HydrophobicContact CB-CE2 4.12Å; P448-Y479 HydrophobicContact CG-CE2 4.48Å; P448-S505 PolarHBondContact O-OG 2.84Å; P448-K506 PolarHBondContact O-NZ 3.19Å
449	D	91.7	Very high	96.7	Very high	63 Å²	63	24.7 Å²	24.7	34%	0.337	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	7.4	-179.2	-62.8	-23	0	0	0	113.1	R174 G447 K506	R174-D449 IonicContact CZ-OD2 3.76Å; R174-D449 IonicContact NH1-OD2 2.82Å; R174-D449 PolarHBondContact NH1-OD2 3.13Å; R174-D449 IonicContact NH2-OD2 2.71Å; G447-D449 PolarHBondContact O-N 2.77Å; D449-K506 IonicContact OD1-NZ 3.42Å
450	S	92.3	Very high	96.6	Very high	28 Å²	28	26 Å²	26	20%	0.196	15%	0.151	C	C	.	.	S	Bend	trans	-118	148.5	178.9	-60.1	0	0	0	0	110.8	T414 G447 S505	T414-S450 PolarHBondContact OG1-OG 2.69Å; G447-S450 PolarHBondContact O-N 3.45Å; S450-S505 WeakPolarHBondContact O-CB 3.23Å; S450-S505 PolarHBondContact O-OG 2.61Å
451	S	95.3	Very high	96.6	Very high	44 Å²	44	26.1 Å²	26.1	31%	0.308	15%	0.152	S	C	.	.			trans	-58	139.5	167.3	174.7	0	0	0	0	109.8	R456 N488	S451-R456 PolarHBondContact O-NH1 3.5Å; S451-N488 PolarHBondContact OG-ND2 3.32Å
452	R	97.6	Very high	96.6	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.026	15%	0.153	C	C	.	.			trans	-60.9	143.8	178.1	-71.4	179.1	169.8	-76.7	-2	111.1	T454 S455 R456 Y480 M486 G487 N488 S505	R452-T454 PolarHBondContact O-N 3.14Å; R452-S455 PolarHBondContact O-N 3.37Å; R452-R456 PolarHBondContact O-N 3.43Å; R452-Y480 PolarHBondContact NH1-O 3.34Å; R452-Y480 PolarHBondContact NH2-O 3.26Å; R452-Y480 PolarHBondContact NH2-OH 3.25Å; R452-M486 WeakPolarHBondContact CB-O 3.4Å; R452-M486 WeakPolarHBondContact CD-O 3.29Å; R452-G487 WeakPolarHBondContact CD-O 3.27Å; R452-N488 WeakPolarHBondContact CB-OD1 3.35Å; R452-N488 WeakPolarHBondContact CG-OD1 3.35Å; R452-N488 PolarHBondContact N-OD1 3.03Å; R452-S505 VanDerWaalsContact CZ-O 3.26Å; R452-S505 PolarHBondContact NE-O 2.76Å; R452-S505 VanDerWaalsContact NE-O 3.13Å; R452-S505 PolarHBondContact NH2-O 2.82Å
453	L	97.6	Very high	96.6	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-50.7	-48.4	-171.7	-175.2	72.8	0	0	0	114.2	I445 S455 R456 L457 M465	I445-L453 HydrophobicContact CD1-CD2 4.11Å; L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 2.91Å; L453-R456 PolarHBondContact O-N 2.78Å; L453-L457 HydrophobicContact CD1-CD1 3.73Å; L453-L457 HydrophobicContact CD1-CG 4.29Å; L453-L457 PolarHBondContact O-N 2.78Å; L453-M465 HydrophobicContact CD1-CB 4.37Å; L453-M465 HydrophobicContact CD1-CE 4.26Å; L453-M465 HydrophobicContact CD1-CG 4.13Å; L453-M465 HydrophobicContact CD2-CB 3.74Å; L453-M465 HydrophobicContact CD2-CG 4.2Å
454	T	96.9	Very high	96.6	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.16	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-31.5	-178.4	-167.3	0	0	0	0	112.4	R452 G458 N459 M486	R452-T454 PolarHBondContact O-N 3.14Å; T454-G458 CarbonylContact O-C 3.53Å; T454-G458 WeakPolarHBondContact O-CA 3.45Å; T454-G458 PolarHBondContact O-N 3.26Å; T454-N459 WeakPolarHBondContact OG1-CA 3.07Å; T454-M486 VanDerWaalsContact CG2-O 3.28Å; T454-M486 WeakPolarHBondContact CG2-O 3.21Å
455	S	96.7	Very high	96.6	Very high	61 Å²	61	27.9 Å²	27.9	43%	0.427	16%	0.162	S	C	.	.	H	α-helix	trans	-81.9	-28.8	176.5	-60.7	0	0	0	0	112.6	R452 L453 N488	R452-S455 PolarHBondContact O-N 3.37Å; L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 2.91Å; S455-N488 WeakPolarHBondContact OG-CB 3.38Å; S455-N488 PolarHBondContact OG-N 2.91Å
456	R	96.5	Very high	96.6	Very high	29 Å²	29	28 Å²	28	11%	0.109	16%	0.162	C	C	.	.	H	α-helix	trans	-78.9	-47.9	179.5	-167.5	170.6	73.1	-115.6	6.1	112.2	T414 L416 I445 S451 R452 L453	T414-R456 PolarHBondContact O-NE 3.21Å; L416-R456 WeakPolarHBondContact O-CD 3.49Å; L416-R456 PolarHBondContact O-NE 3.47Å; I445-R456 PolarHBondContact O-NH1 3.34Å; I445-R456 PolarHBondContact O-NH2 3.02Å; S451-R456 PolarHBondContact O-NH1 3.5Å; R452-R456 PolarHBondContact O-N 3.43Å; L453-R456 PolarHBondContact O-N 2.78Å
457	L	97.1	Very high	96.7	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-110.7	-24.1	-173.1	-60.5	-175.6	0	0	0	114.1	L416 V419 L453 Y461 M465	L416-L457 WeakPolarHBondContact O-CD2 3.34Å; V419-L457 HydrophobicContact CB-CD1 4.09Å; V419-L457 HydrophobicContact CB-CD2 4.12Å; V419-L457 HydrophobicContact CG1-CD1 4.41Å; V419-L457 HydrophobicContact CG1-CD2 4.5Å; V419-L457 HydrophobicContact CG2-CD1 4.5Å; L453-L457 HydrophobicContact CD1-CD1 3.73Å; L453-L457 HydrophobicContact CD1-CG 4.29Å; L453-L457 PolarHBondContact O-N 2.78Å; L457-Y461 HydrophobicContact CB-CD2 4.04Å; L457-Y461 HydrophobicContact CB-CG 4.41Å; L457-Y461 WeakPolarHBondContact O-CD2 3.26Å; L457-M465 HydrophobicContact CD1-CE 4.37Å; L457-M465 HydrophobicContact CD1-CG 4.43Å; L457-M465 HydrophobicContact CD1-SD 4.47Å
458	G	96.4	Very high	96.9	Very high	17 Å²	17	27.5 Å²	27.5	18%	0.175	16%	0.157	C	C	.	.			trans	110.4	156.6	-173	0	0	0	0	0	113.1	T454 E460 Y461	T454-G458 CarbonylContact O-C 3.53Å; T454-G458 WeakPolarHBondContact O-CA 3.45Å; T454-G458 PolarHBondContact O-N 3.26Å; G458-E460 VanDerWaalsContact C-N 3.26Å; G458-E460 PolarHBondContact O-N 2.82Å; G458-Y461 PolarHBondContact O-N 2.9Å
459	N	96.1	Very high	97.1	Very high	117 Å²	117	26.7 Å²	26.7	63%	0.626	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-66.4	-28.5	-175.8	-174.2	58.7	0	0	0	112.7	T454 Y461 V462	T454-N459 WeakPolarHBondContact OG1-CA 3.07Å; N459-Y461 PolarHBondContact O-N 2.69Å; N459-V462 PolarHBondContact O-N 2.86Å
460	E	96.6	Very high	97.4	Very high	81 Å²	81	23.7 Å²	23.7	38%	0.379	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-61.2	-24.6	177.1	62	-94.7	-134.7	0	0	113.2	G458 K642	G458-E460 VanDerWaalsContact C-N 3.26Å; G458-E460 PolarHBondContact O-N 2.82Å; E460-K642 HydrophobicContact CG-CD 4.27Å; E460-K642 HydrophobicContact CG-CG 4.48Å; E460-K642 WeakPolarHBondContact OE1-CE 3.06Å; E460-K642 IonicContact OE1-NZ 2.9Å; E460-K642 PolarHBondContact OE1-NZ 3.25Å
461	Y	98.3	Very high	97.7	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.055	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-94.4	-7.8	-175.2	-66.3	-71.8	0	0	0	114.6	V419 L457 G458 N459 N463 V464 M465 F599 K642	V419-Y461 HydrophobicContact CG1-CD1 3.82Å; V419-Y461 HydrophobicContact CG1-CD2 4.11Å; V419-Y461 HydrophobicContact CG1-CE1 3.54Å; V419-Y461 HydrophobicContact CG1-CE2 3.85Å; V419-Y461 HydrophobicContact CG1-CG 4.09Å; L457-Y461 HydrophobicContact CB-CD2 4.04Å; L457-Y461 HydrophobicContact CB-CG 4.41Å; L457-Y461 WeakPolarHBondContact O-CD2 3.26Å; G458-Y461 PolarHBondContact O-N 2.9Å; N459-Y461 PolarHBondContact O-N 2.69Å; Y461-N463 PolarHBondContact O-N 2.77Å; Y461-V464 HydrophobicContact CD1-CG1 3.86Å; Y461-V464 WeakPolarHBondContact O-CG1 3.48Å; Y461-V464 PolarHBondContact O-N 2.94Å; Y461-M465 WeakPolarHBondContact O-CB 3.27Å; Y461-M465 VanDerWaalsContact O-CG 3.23Å; Y461-M465 WeakPolarHBondContact O-CG 3.3Å; Y461-M465 PolarHBondContact O-N 3.41Å; Y461-F599 HydrophobicContact CD1-CD1 4.42Å; Y461-F599 WeakPolarHBondContact CE1-O 3.46Å; Y461-F599 PolarHBondContact OH-O 3.03Å; Y461-K642 WeakPolarHBondContact OH-CE 3.24Å
462	V	98.4	Very high	97.9	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-49	-177.7	174.2	0	0	0	0	111.1	N459 N466 A548	N459-V462 PolarHBondContact O-N 2.86Å; V462-N466 WeakPolarHBondContact O-CB 3.41Å; V462-N466 PolarHBondContact O-N 2.87Å; V462-N466 VanDerWaalsContact O-N 3.15Å; V462-N466 PolarHBondContact O-ND2 2.8Å; V462-A548 HydrophobicContact CG1-CB 4.19Å
463	N	98.6	Very high	98	Very high	39 Å²	39	20.7 Å²	20.7	21%	0.209	12%	0.115	C	C	.	.	H	α-helix	trans	-69.1	-41	-176.2	-75.9	-2.2	0	0	0	112.8	Y461 M467 L551 T624	Y461-N463 PolarHBondContact O-N 2.77Å; N463-M467 WeakPolarHBondContact O-CB 3.41Å; N463-M467 PolarHBondContact O-N 3.24Å; N463-L551 HydrophobicContact CB-CD2 3.42Å; N463-L551 VanDerWaalsContact CB-CD2 3.42Å; N463-L551 VanDerWaalsContact CG-CD2 3.47Å; N463-T624 HydrophobicContact CB-CG2 3.85Å; N463-T624 PolarHBondContact ND2-O 2.79Å; N463-T624 VanDerWaalsContact ND2-O 3.11Å
464	V	98.8	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73.9	-33.5	-178.1	68.9	0	0	0	0	112.3	Y461 M467 L468 L597 F599 T624 G643	Y461-V464 HydrophobicContact CD1-CG1 3.86Å; Y461-V464 WeakPolarHBondContact O-CG1 3.48Å; Y461-V464 PolarHBondContact O-N 2.94Å; V464-M467 WeakPolarHBondContact O-CB 3.34Å; V464-M467 PolarHBondContact O-N 3.42Å; V464-L468 PolarHBondContact O-N 3.49Å; V464-L597 HydrophobicContact CG2-CB 3.86Å; V464-L597 HydrophobicContact CG2-CD2 3.8Å; V464-L597 HydrophobicContact CG2-CG 4.32Å; V464-F599 HydrophobicContact CG1-CD1 4.37Å; V464-F599 HydrophobicContact CG1-CE1 4Å; V464-F599 HydrophobicContact CG2-CE1 4.1Å; V464-F599 HydrophobicContact CG2-CZ 4.27Å; V464-T624 HydrophobicContact CB-CG2 4.13Å; V464-G643 WeakPolarHBondContact CB-O 3.47Å
465	M	98.8	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.2	-38.2	175.3	-68.7	-66.9	-69.4	0	0	111.8	I445 L453 L457 Y461 M467 L468 L469 F599	I445-M465 HydrophobicContact CB-CE 4.27Å; I445-M465 HydrophobicContact CD1-CB 4.11Å; I445-M465 HydrophobicContact CG2-CE 3.82Å; L453-M465 HydrophobicContact CD1-CB 4.37Å; L453-M465 HydrophobicContact CD1-CE 4.26Å; L453-M465 HydrophobicContact CD1-CG 4.13Å; L453-M465 HydrophobicContact CD2-CB 3.74Å; L453-M465 HydrophobicContact CD2-CG 4.2Å; L457-M465 HydrophobicContact CD1-CE 4.37Å; L457-M465 HydrophobicContact CD1-CG 4.43Å; L457-M465 HydrophobicContact CD1-SD 4.47Å; Y461-M465 WeakPolarHBondContact O-CB 3.27Å; Y461-M465 VanDerWaalsContact O-CG 3.23Å; Y461-M465 WeakPolarHBondContact O-CG 3.3Å; Y461-M465 PolarHBondContact O-N 3.41Å; M465-M467 VanDerWaalsContact C-N 3.31Å; M465-M467 PolarHBondContact O-N 2.97Å; M465-L468 WeakPolarHBondContact O-CB 3.4Å; M465-L468 PolarHBondContact O-N 2.74Å; M465-L468 HydrophobicContact SD-CD2 4.26Å; M465-L469 WeakPolarHBondContact O-CB 3.43Å; M465-L469 PolarHBondContact O-N 3.01Å; M465-F599 HydrophobicContact SD-CE1 3.68Å; M465-F599 HydrophobicContact SD-CZ 4.39Å
466	N	98.8	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-39.6	169.2	-77.4	-28.8	0	0	0	111.2	V462 L469 F470 E482 L555	V462-N466 WeakPolarHBondContact O-CB 3.41Å; V462-N466 PolarHBondContact O-N 2.87Å; V462-N466 VanDerWaalsContact O-N 3.15Å; V462-N466 PolarHBondContact O-ND2 2.8Å; N466-L469 PolarHBondContact O-N 2.81Å; N466-F470 WeakPolarHBondContact O-CD2 3.49Å; N466-F470 PolarHBondContact O-N 3.27Å; N466-E482 PolarHBondContact ND2-O 3.42Å; N466-L555 HydrophobicContact CB-CD1 4.15Å
467	M	98.9	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-42	175.1	-175.7	174.2	-71	0	0	112.4	N463 V464 M465 T471 L555 L597 T624 I647	N463-M467 WeakPolarHBondContact O-CB 3.41Å; N463-M467 PolarHBondContact O-N 3.24Å; V464-M467 WeakPolarHBondContact O-CB 3.34Å; V464-M467 PolarHBondContact O-N 3.42Å; M465-M467 VanDerWaalsContact C-N 3.31Å; M465-M467 PolarHBondContact O-N 2.97Å; M467-T471 HydrophobicContact CG-CG2 4.46Å; M467-T471 WeakPolarHBondContact O-CB 3.44Å; M467-T471 WeakPolarHBondContact O-CG2 3.47Å; M467-T471 PolarHBondContact O-N 3.1Å; M467-T471 PolarHBondContact O-OG1 3.21Å; M467-L555 HydrophobicContact CB-CD1 4.22Å; M467-L555 HydrophobicContact CB-CD2 4.24Å; M467-L555 HydrophobicContact CG-CD2 4.06Å; M467-L597 HydrophobicContact CB-CD2 4.3Å; M467-L597 HydrophobicContact CG-CD2 3.88Å; M467-L597 HydrophobicContact SD-CD2 3.73Å; M467-T624 HydrophobicContact CB-CG2 4.46Å; M467-T624 HydrophobicContact CE-CG2 3.79Å; M467-T624 HydrophobicContact SD-CG2 4.23Å; M467-I647 HydrophobicContact CE-CD1 4.45Å; M467-I647 HydrophobicContact CE-CG1 4.15Å; M467-I647 HydrophobicContact CG-CD1 4.2Å; M467-I647 HydrophobicContact CG-CG1 4.15Å; M467-I647 HydrophobicContact SD-CD1 4.38Å; M467-I647 HydrophobicContact SD-CG1 3.78Å
468	L	98.9	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.6	-52.6	173.1	178.8	66.5	0	0	0	110.4	L413 V424 I428 V464 M465 F470 T471 L472 Y582 L597 F599	L413-L468 HydrophobicContact CD1-CD2 4.23Å; L413-L468 HydrophobicContact CD2-CD2 4.43Å; V424-L468 HydrophobicContact CG1-CD2 3.86Å; I428-L468 HydrophobicContact CD1-CD1 3.95Å; V464-L468 PolarHBondContact O-N 3.49Å; M465-L468 WeakPolarHBondContact O-CB 3.4Å; M465-L468 PolarHBondContact O-N 2.74Å; M465-L468 HydrophobicContact SD-CD2 4.26Å; L468-F470 VanDerWaalsContact C-N 3.32Å; L468-F470 PolarHBondContact O-N 3.2Å; L468-T471 PolarHBondContact O-N 2.94Å; L468-T471 VanDerWaalsContact O-N 3.09Å; L468-T471 PolarHBondContact O-OG1 2.77Å; L468-L472 HydrophobicContact CD1-CD1 3.79Å; L468-L472 HydrophobicContact CD1-CD2 4.11Å; L468-L472 HydrophobicContact CD1-CG 3.8Å; L468-L472 HydrophobicContact CD2-CD1 4.5Å; L468-L472 HydrophobicContact CG-CD1 3.83Å; L468-L472 HydrophobicContact CG-CG 4.22Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 3.13Å; L468-Y582 HydrophobicContact CD1-CE1 4.21Å; L468-L597 HydrophobicContact CB-CD1 3.83Å; L468-L597 HydrophobicContact CD1-CD1 3.52Å; L468-L597 HydrophobicContact CG-CD1 4.26Å; L468-F599 HydrophobicContact CD2-CZ 4.12Å
469	L	98.8	Very high	98.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-53.7	-45.2	-177.7	-178.4	58.9	0	0	0	112.6	W443 I445 M465 N466 P476	W443-L469 HydrophobicContact CB-CD1 3.75Å; W443-L469 VanDerWaalsContact O-CD1 3.24Å; W443-L469 WeakPolarHBondContact O-CD1 3.39Å; I445-L469 HydrophobicContact CD1-CD2 4.05Å; I445-L469 HydrophobicContact CG1-CD2 4.31Å; M465-L469 WeakPolarHBondContact O-CB 3.43Å; M465-L469 PolarHBondContact O-N 3.01Å; N466-L469 PolarHBondContact O-N 2.81Å; L469-P476 HydrophobicContact CD1-CB 3.69Å; L469-P476 HydrophobicContact CD2-CB 4.34Å; L469-P476 HydrophobicContact CG-CB 3.62Å
470	F	98.9	Very high	98.6	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.041	C	C	.	.	H	α-helix	trans	-84.5	-4.7	-178.6	-79.7	-71	0	0	0	115.5	P122 N466 L468 P476 Y552 L555 H559	P122-F470 HydrophobicContact CB-CE1 4.07Å; P122-F470 HydrophobicContact CB-CZ 4.34Å; P122-F470 HydrophobicContact CG-CE1 3.91Å; P122-F470 HydrophobicContact CG-CZ 4.35Å; N466-F470 WeakPolarHBondContact O-CD2 3.49Å; N466-F470 PolarHBondContact O-N 3.27Å; L468-F470 VanDerWaalsContact C-N 3.32Å; L468-F470 PolarHBondContact O-N 3.2Å; F470-P476 HydrophobicContact CD1-CB 4.35Å; F470-P476 HydrophobicContact CD1-CG 3.96Å; F470-P476 HydrophobicContact CE1-CB 4.26Å; F470-P476 HydrophobicContact CE1-CG 3.87Å; F470-Y552 AromaticContact CE2-CD2 3.84Å; F470-Y552 HydrophobicContact CE2-CD2 3.84Å; F470-Y552 HydrophobicContact CE2-CE1 4.23Å; F470-Y552 AromaticContact CE2-CE2 3.51Å; F470-Y552 HydrophobicContact CE2-CE2 3.51Å; F470-Y552 HydrophobicContact CE2-CG 4.34Å; F470-Y552 AromaticContact CE2-CZ 3.72Å; F470-Y552 HydrophobicContact CZ-CE1 4.02Å; F470-Y552 AromaticContact CZ-CE2 3.91Å; F470-Y552 HydrophobicContact CZ-CE2 3.91Å; F470-Y552 AromaticContact CZ-CZ 3.61Å; F470-L555 HydrophobicContact CB-CB 3.97Å; F470-L555 HydrophobicContact CB-CD2 4.3Å; F470-L555 HydrophobicContact CD2-CB 3.74Å; F470-L555 HydrophobicContact CD2-CD1 4.28Å; F470-L555 HydrophobicContact CE2-CB 4.49Å; F470-L555 HydrophobicContact CG-CB 3.92Å; F470-H559 HydrophobicContact CD1-CB 4.06Å; F470-H559 PolarHBondContact O-CD2 3.47Å
471	T	98.8	Very high	98.7	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.006	2%	0.023	C	C	.	.	H	α-helix	trans	-118.2	-11.1	-178.2	58.3	0	0	0	0	114.2	M467 L468 L565 Y582 R584 V595 I647	M467-T471 HydrophobicContact CG-CG2 4.46Å; M467-T471 WeakPolarHBondContact O-CB 3.44Å; M467-T471 WeakPolarHBondContact O-CG2 3.47Å; M467-T471 PolarHBondContact O-N 3.1Å; M467-T471 PolarHBondContact O-OG1 3.21Å; L468-T471 PolarHBondContact O-N 2.94Å; L468-T471 VanDerWaalsContact O-N 3.09Å; L468-T471 PolarHBondContact O-OG1 2.77Å; T471-L565 HydrophobicContact CG2-CD2 4.42Å; T471-Y582 PolarHBondContact OG1-OH 3.39Å; T471-R584 WeakPolarHBondContact O-CD 3.37Å; T471-R584 PolarHBondContact O-NH1 3.24Å; T471-V595 HydrophobicContact CG2-CG2 4.2Å; T471-I647 HydrophobicContact CG2-CD1 3.52Å; T471-I647 HydrophobicContact CG2-CG1 4.23Å
472	L	98.9	Very high	98.8	Very high	2 Å²	2	4 Å²	4	1%	0.01	2%	0.022	C	C	.	.	S	Bend	trans	-66.7	155.1	162.7	-72.5	176.3	0	0	0	111.1	I428 W443 L468 F570 Y582 R584	I428-L472 HydrophobicContact CD1-CD1 4.44Å; I428-L472 HydrophobicContact CD1-CD2 4.04Å; I428-L472 HydrophobicContact CG1-CD1 4.2Å; I428-L472 HydrophobicContact CG1-CD2 4.18Å; I428-L472 HydrophobicContact CG2-CD2 3.99Å; W443-L472 HydrophobicContact CD2-CB 4.4Å; W443-L472 HydrophobicContact CD2-CD1 3.51Å; W443-L472 HydrophobicContact CE3-CD1 3.81Å; W443-L472 HydrophobicContact CG-CB 4.32Å; W443-L472 HydrophobicContact CG-CD1 3.85Å; W443-L472 HydrophobicContact CH2-CD1 4.39Å; W443-L472 HydrophobicContact CZ2-CD1 4.13Å; W443-L472 HydrophobicContact CZ3-CD1 4.24Å; L468-L472 HydrophobicContact CD1-CD1 3.79Å; L468-L472 HydrophobicContact CD1-CD2 4.11Å; L468-L472 HydrophobicContact CD1-CG 3.8Å; L468-L472 HydrophobicContact CD2-CD1 4.5Å; L468-L472 HydrophobicContact CG-CD1 3.83Å; L468-L472 HydrophobicContact CG-CG 4.22Å; L468-L472 WeakPolarHBondContact O-CG 3.35Å; L468-L472 PolarHBondContact O-N 3.13Å; L472-F570 HydrophobicContact CD2-CE2 3.85Å; L472-F570 HydrophobicContact CD2-CZ 4.24Å; L472-Y582 HydrophobicContact CD2-CE1 4.42Å; L472-R584 PolarHBondContact O-NH1 3.4Å
473	P	98.6	Very high	98.8	Very high	12 Å²	12	3.8 Å²	3.8	8%	0.078	2%	0.021	C	C	.	.	S	Bend	trans	-70.3	153.3	173	32.2	-36.6	0	0	0	110.4	M432 P441 W443 F570	M432-P473 HydrophobicContact CE-CG 3.86Å; M432-P473 HydrophobicContact SD-CG 4.1Å; P441-P473 HydrophobicContact CG-CB 4.32Å; P441-P473 HydrophobicContact CG-CG 4.23Å; P441-P473 WeakPolarHBondContact CG-O 3.44Å; W443-P473 PolarHBondContact NE1-O 3.16Å; P473-F570 HydrophobicContact CB-CB 4.1Å; P473-F570 HydrophobicContact CG-CB 3.64Å; P473-F570 HydrophobicContact CG-CD1 4.29Å; P473-F570 HydrophobicContact CG-CD2 4.32Å; P473-F570 HydrophobicContact CG-CG 3.84Å
474	G	98.6	Very high	98.8	Very high	4 Å²	4	2 Å²	2	4%	0.041	1%	0.012	C	C	.	.	S	Bend	trans	102.3	-157.9	174.1	0	0	0	0	0	114.1	P441 P476	P441-G474 CarbonylContact O-C 3.54Å; P441-G474 WeakPolarHBondContact O-CA 3.29Å; G474-P476 WeakPolarHBondContact O-CD 3.26Å
475	T	98.9	Very high	98.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.4	-176.9	-58.3	0	0	0	0	111.5	W118 M123 W440 P441 N442 W443 I477	W118-T475 WeakPolarHBondContact O-CG2 3.31Å; W118-T475 PolarHBondContact O-OG1 3.09Å; M123-T475 HydrophobicContact CE-CG2 4.25Å; M123-T475 HydrophobicContact CG-CG2 3.82Å; M123-T475 HydrophobicContact SD-CG2 4.39Å; W440-T475 PolarHBondContact NE1-OG1 3.49Å; P441-T475 PolarHBondContact O-N 3.23Å; N442-T475 VanDerWaalsContact CA-O 3.31Å; N442-T475 WeakPolarHBondContact CA-O 3.38Å; N442-T475 WeakPolarHBondContact CB-O 3.44Å; W443-T475 PolarHBondContact N-O 2.84Å; T475-I477 HydrophobicContact CG2-CG1 4.47Å
476	P	98.9	Very high	98.7	Very high	3 Å²	3	2.6 Å²	2.6	2%	0.019	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.1	170.2	23.9	-27.1	0	0	0	111.2	P122 M123 L469 F470 G474	P122-P476 CarbonylContact C-O 3.54Å; P122-P476 VanDerWaalsContact CA-O 3.26Å; P122-P476 WeakPolarHBondContact CA-O 3.15Å; P122-P476 HydrophobicContact CB-CG 3.93Å; M123-P476 PolarHBondContact N-O 2.93Å; L469-P476 HydrophobicContact CD1-CB 3.69Å; L469-P476 HydrophobicContact CD2-CB 4.34Å; L469-P476 HydrophobicContact CG-CB 3.62Å; F470-P476 HydrophobicContact CD1-CB 4.35Å; F470-P476 HydrophobicContact CD1-CG 3.96Å; F470-P476 HydrophobicContact CE1-CB 4.26Å; F470-P476 HydrophobicContact CE1-CG 3.87Å; G474-P476 WeakPolarHBondContact O-CD 3.26Å
477	I	98.9	Very high	98.7	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.005	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.9	179.1	-56	169.9	0	0	0	108.3	M123 W161 F407 F409 N442 W443 M444 T475	M123-I477 HydrophobicContact CB-CB 4.45Å; M123-I477 HydrophobicContact CB-CG1 4.08Å; M123-I477 HydrophobicContact CB-CG2 4.27Å; M123-I477 HydrophobicContact CG-CG1 4.26Å; M123-I477 WeakPolarHBondContact O-CA 3.3Å; M123-I477 HydrophobicContact SD-CD1 4.36Å; M123-I477 HydrophobicContact SD-CG1 4.22Å; W161-I477 HydrophobicContact CE3-CG2 4.2Å; W161-I477 HydrophobicContact CZ3-CG2 4.2Å; F407-I477 HydrophobicContact CE2-CD1 4.34Å; F409-I477 HydrophobicContact CD1-CD1 3.58Å; F409-I477 HydrophobicContact CE1-CD1 3.71Å; N442-I477 HydrophobicContact CB-CD1 4.05Å; W443-I477 PolarHBondContact O-N 2.9Å; M444-I477 HydrophobicContact CE-CG2 4.03Å; M444-I477 HydrophobicContact CG-CB 3.69Å; M444-I477 HydrophobicContact CG-CD1 3.87Å; M444-I477 HydrophobicContact CG-CG1 4.34Å; M444-I477 HydrophobicContact CG-CG2 3.86Å; M444-I477 HydrophobicContact SD-CD1 4.21Å; M444-I477 HydrophobicContact SD-CG2 4.33Å; T475-I477 HydrophobicContact CG2-CG1 4.47Å
478	T	98.9	Very high	98.5	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	-174.1	-54.9	0	0	0	0	110.1	M123 Y124 Q125 E482 Y552	M123-T478 PolarHBondContact O-N 3.04Å; Y124-T478 CarbonylContact C-O 3.55Å; Y124-T478 WeakPolarHBondContact CA-O 3.44Å; Y124-T478 HydrophobicContact CD2-CG2 4.06Å; Y124-T478 HydrophobicContact CE2-CG2 3.99Å; Q125-T478 PolarHBondContact N-O 3.16Å; T478-E482 HydrophobicContact CG2-CB 3.89Å; T478-Y552 WeakPolarHBondContact CB-OH 3.11Å; T478-Y552 HydrophobicContact CG2-CE2 3.68Å; T478-Y552 WeakPolarHBondContact CG2-OH 3.44Å; T478-Y552 PolarHBondContact OG1-OH 2.81Å
479	Y	98.8	Very high	98.3	Very high	3 Å²	3	4.9 Å²	4.9	1%	0.012	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.7	171.4	-178.7	-119.9	0	0	0	110.8	Q125 P448 G481 E482 S505	Q125-Y479 HydrophobicContact CB-CD2 4.28Å; Q125-Y479 HydrophobicContact CG-CD2 4.31Å; P448-Y479 HydrophobicContact CB-CE2 4.12Å; P448-Y479 HydrophobicContact CG-CE2 4.48Å; Y479-G481 PolarHBondContact O-N 2.84Å; Y479-E482 PolarHBondContact N-OE2 2.96Å; Y479-E482 VanDerWaalsContact O-CB 3.31Å; Y479-E482 WeakPolarHBondContact O-CB 3.36Å; Y479-E482 VanDerWaalsContact O-CG 3.26Å; Y479-E482 WeakPolarHBondContact O-CG 3.37Å; Y479-E482 PolarHBondContact O-N 2.86Å; Y479-E482 VanDerWaalsContact O-N 3.11Å; Y479-S505 WeakPolarHBondContact CE1-O 3.23Å; Y479-S505 PolarHBondContact OH-O 2.63Å
480	Y	98.8	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	135.3	-173.8	84	-80.4	0	0	0	112.8	Y124 Q125 S130 F131 R452 M486 K506 S507 M509	Y124-Y480 WeakPolarHBondContact OH-CA 3.04Å; Q125-Y480 PolarHBondContact O-N 3Å; S130-Y480 VanDerWaalsContact CB-OH 3.25Å; S130-Y480 WeakPolarHBondContact CB-OH 3.35Å; F131-Y480 HydrophobicContact CD2-CD2 4.38Å; F131-Y480 HydrophobicContact CD2-CG 4.43Å; R452-Y480 PolarHBondContact NH1-O 3.34Å; R452-Y480 PolarHBondContact NH2-O 3.26Å; R452-Y480 PolarHBondContact NH2-OH 3.25Å; Y480-M486 HydrophobicContact CE2-CE 4.28Å; Y480-M486 HydrophobicContact CE2-SD 4.48Å; Y480-K506 PolarHBondContact OH-O 3.01Å; Y480-S507 PolarHBondContact OH-O 2.77Å; Y480-M509 HydrophobicContact CD2-CB 4Å; Y480-M509 HydrophobicContact CD2-CG 4.37Å; Y480-M509 HydrophobicContact CD2-SD 3.93Å; Y480-M509 HydrophobicContact CE2-CB 4.05Å
481	G	98.6	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-10.1	-178.5	0	0	0	0	0	114.5	Y479 E483 I484 G485 M486	Y479-G481 PolarHBondContact O-N 2.84Å; G481-E483 VanDerWaalsContact C-N 3.26Å; G481-E483 WeakPolarHBondContact CA-OE1 3.36Å; G481-E483 PolarHBondContact N-OE2 3.05Å; G481-E483 PolarHBondContact O-N 3.48Å; G481-I484 WeakPolarHBondContact O-CG1 3.41Å; G481-I484 PolarHBondContact O-N 3.33Å; G481-G485 PolarHBondContact O-N 3.3Å; G481-M486 VanDerWaalsContact CA-SD 3.53Å; G481-M486 PolarHBondContact O-N 3.11Å
482	E	98.8	Very high	95	Very high	11 Å²	11	16 Å²	16	5%	0.051	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.3	172.8	-71.8	-178	157.4	0	0	112	G446 N466 T478 Y479 I484 G485	G446-E482 WeakPolarHBondContact CA-OE1 3.49Å; G446-E482 PolarHBondContact N-OE1 3.29Å; N466-E482 PolarHBondContact ND2-O 3.42Å; T478-E482 HydrophobicContact CG2-CB 3.89Å; Y479-E482 PolarHBondContact N-OE2 2.96Å; Y479-E482 VanDerWaalsContact O-CB 3.31Å; Y479-E482 WeakPolarHBondContact O-CB 3.36Å; Y479-E482 VanDerWaalsContact O-CG 3.26Å; Y479-E482 WeakPolarHBondContact O-CG 3.37Å; Y479-E482 PolarHBondContact O-N 2.86Å; Y479-E482 VanDerWaalsContact O-N 3.11Å; E482-I484 VanDerWaalsContact C-N 3.26Å; E482-I484 PolarHBondContact O-N 2.89Å; E482-G485 PolarHBondContact O-N 3.42Å
483	E	98.8	Very high	93.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.3	178.5	77	-60.5	139.7	0	0	113.3	Y124 Y151 L155 G481 M509 A548 L549 Y552	Y124-E483 WeakPolarHBondContact CE2-OE2 3.29Å; Y124-E483 PolarHBondContact OH-OE2 3.37Å; Y151-E483 WeakPolarHBondContact OH-CG 3.17Å; Y151-E483 PolarHBondContact OH-OE1 2.9Å; L155-E483 HydrophobicContact CD1-CG 4.11Å; L155-E483 HydrophobicContact CD2-CG 4.11Å; G481-E483 VanDerWaalsContact C-N 3.26Å; G481-E483 WeakPolarHBondContact CA-OE1 3.36Å; G481-E483 PolarHBondContact N-OE2 3.05Å; G481-E483 PolarHBondContact O-N 3.48Å; E483-M509 WeakPolarHBondContact OE1-CE 3.41Å; E483-A548 CarbonylContact O-C 3.49Å; E483-A548 VanDerWaalsContact O-C 3.26Å; E483-L549 HydrophobicContact CB-CD1 4.42Å; E483-L549 HydrophobicContact CG-CD1 3.89Å; E483-L549 VanDerWaalsContact O-CA 3.23Å; E483-L549 WeakPolarHBondContact O-CA 3.33Å; E483-L549 PolarHBondContact O-N 3.36Å; E483-Y552 HydrophobicContact CB-CD1 3.94Å; E483-Y552 HydrophobicContact CB-CD2 3.58Å; E483-Y552 HydrophobicContact CB-CE1 4.27Å; E483-Y552 HydrophobicContact CB-CE2 3.91Å; E483-Y552 HydrophobicContact CB-CG 3.6Å
484	I	98.6	Very high	92.7	Very high	3 Å²	3	25 Å²	25	2%	0.015	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-7.9	173.5	62.6	171.3	0	0	0	113.2	G481 E482 M486 M509 Q510 V536 V538 Q541 L549	G481-I484 WeakPolarHBondContact O-CG1 3.41Å; G481-I484 PolarHBondContact O-N 3.33Å; E482-I484 VanDerWaalsContact C-N 3.26Å; E482-I484 PolarHBondContact O-N 2.89Å; I484-M486 HydrophobicContact CD1-CG 3.62Å; I484-M486 HydrophobicContact CD1-SD 4.02Å; I484-M486 HydrophobicContact CG1-CG 3.77Å; I484-M486 HydrophobicContact CG1-SD 4.48Å; I484-M509 HydrophobicContact CD1-CE 3.82Å; I484-M509 HydrophobicContact CD1-SD 4.11Å; I484-M509 HydrophobicContact CG1-CE 4.41Å; I484-Q510 HydrophobicContact CD1-CB 4.13Å; I484-V536 WeakPolarHBondContact O-CG1 3.07Å; I484-V538 HydrophobicContact CD1-CG2 4.4Å; I484-V538 HydrophobicContact CG2-CG2 3.9Å; I484-Q541 PolarHBondContact O-NE2 3.32Å; I484-L549 HydrophobicContact CG2-CB 4.34Å; I484-L549 HydrophobicContact CG2-CD1 4.4Å
485	G	98.1	Very high	91.9	Very high	9 Å²	9	33.5 Å²	33.5	9%	0.093	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	38.2	-179	0	0	0	0	0	114.5	G481 E482 G487	G481-G485 PolarHBondContact O-N 3.3Å; E482-G485 PolarHBondContact O-N 3.42Å; G485-G487 PolarHBondContact O-N 3.3Å
486	M	98.5	Very high	91	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.015	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-56.8	135.7	175.5	-77.3	178	61.2	0	0	112.1	R452 T454 Y480 G481 I484 P508 M509 Q510	R452-M486 WeakPolarHBondContact CB-O 3.4Å; R452-M486 WeakPolarHBondContact CD-O 3.29Å; T454-M486 VanDerWaalsContact CG2-O 3.28Å; T454-M486 WeakPolarHBondContact CG2-O 3.21Å; Y480-M486 HydrophobicContact CE2-CE 4.28Å; Y480-M486 HydrophobicContact CE2-SD 4.48Å; G481-M486 VanDerWaalsContact CA-SD 3.53Å; G481-M486 PolarHBondContact O-N 3.11Å; I484-M486 HydrophobicContact CD1-CG 3.62Å; I484-M486 HydrophobicContact CD1-SD 4.02Å; I484-M486 HydrophobicContact CG1-CG 3.77Å; I484-M486 HydrophobicContact CG1-SD 4.48Å; M486-P508 VanDerWaalsContact CE-O 3.3Å; M486-P508 WeakPolarHBondContact CE-O 3.47Å; M486-M509 HydrophobicContact SD-SD 3.57Å; M486-Q510 HydrophobicContact CE-CG 4.17Å; M486-Q510 HydrophobicContact CG-CG 4.34Å; M486-Q510 HydrophobicContact SD-CG 4.27Å
487	G	97.4	Very high	90.2	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-92.9	163.7	171	0	0	0	0	0	114.3	R452 G485 N530	R452-G487 WeakPolarHBondContact CD-O 3.27Å; G485-G487 PolarHBondContact O-N 3.3Å; G487-N530 PolarHBondContact O-ND2 2.94Å
488	N	96	Very high	89.5	Confident	29 Å²	29	42.1 Å²	42.1	16%	0.155	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-59.3	150.6	170.3	-82.8	2	0	0	0	111.4	S451 R452 S455 L504 N530	S451-N488 PolarHBondContact OG-ND2 3.32Å; R452-N488 WeakPolarHBondContact CB-OD1 3.35Å; R452-N488 WeakPolarHBondContact CG-OD1 3.35Å; R452-N488 PolarHBondContact N-OD1 3.03Å; S455-N488 WeakPolarHBondContact OG-CB 3.38Å; S455-N488 PolarHBondContact OG-N 2.91Å; N488-L504 VanDerWaalsContact CA-O 3.32Å; N488-L504 WeakPolarHBondContact CA-O 3.35Å; N488-L504 HydrophobicContact CB-CB 4.03Å; N488-L504 PolarHBondContact OD1-O 2.77Å; N488-N530 PolarHBondContact O-ND2 2.99Å
489	I	93.3	Very high	88.8	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.082	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-93.8	170.1	163.8	59.3	166.9	0	0	0	110.4	L504 S507 L527 P528 N530	I489-L504 PolarHBondContact N-O 3.02Å; I489-L504 VanDerWaalsContact N-O 3.11Å; I489-L504 WeakPolarHBondContact O-CD2 3.3Å; I489-S507 VanDerWaalsContact CG2-CB 3.47Å; I489-L527 HydrophobicContact CD1-CB 4.32Å; I489-L527 HydrophobicContact CD1-CD1 4.31Å; I489-L527 HydrophobicContact CD1-CD2 4.13Å; I489-P528 HydrophobicContact CD1-CG 4.02Å; I489-N530 HydrophobicContact CG2-CB 3.94Å
490	V	86.1	Confident	87.9	Confident	124 Å²	124	46.5 Å²	46.5	75%	0.752	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-81.4	136.2	169.4	-179.9	0	0	0	0	109	I492	V490-I492 PolarHBondContact O-N 3.22Å
491	A	68.9	Low	87.1	Confident	46 Å²	46	52.5 Å²	52.5	38%	0.38	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-57.3	127.5	176.6	0	0	0	0	0	110.4	L504	A491-L504 HydrophobicContact CB-CD2 3.73Å; A491-L504 VanDerWaalsContact N-CD2 3.26Å
492	I	73.5	Confident	86.6	Confident	65 Å²	65	53.5 Å²	53.5	33%	0.333	30%	0.303	S	S	.	.			trans	-106.8	149.5	170.1	56.4	156.8	0	0	0	109.3	V490 L494 L527 P528	V490-I492 PolarHBondContact O-N 3.22Å; I492-L494 HydrophobicContact CD1-CD2 3.67Å; I492-L494 HydrophobicContact CG1-CD2 4.1Å; I492-L494 HydrophobicContact CG1-CG 4.47Å; I492-L494 PolarHBondContact O-N 2.79Å; I492-L494 VanDerWaalsContact O-N 3.17Å; I492-L527 HydrophobicContact CD1-CD2 4.12Å; I492-L527 HydrophobicContact CG1-CD2 3.98Å; I492-P528 VanDerWaalsContact CD1-CD 3.41Å; I492-P528 HydrophobicContact CD1-CG 4.15Å; I492-P528 HydrophobicContact CG1-CG 4.43Å; I492-P528 HydrophobicContact CG2-CG 4.23Å
493	N	70.1	Confident	86.1	Confident	159 Å²	159	53.1 Å²	53.1	85%	0.85	30%	0.302	S	S	*	.			trans	-69	112.9	168.8	-74.3	-21.9	0	0	0	108.4
494	L	78.8	Confident	85.7	Confident	45 Å²	45	55.2 Å²	55.2	24%	0.236	31%	0.313	C	S	.	.			trans	-88.6	148.6	168.4	-65.5	179.6	0	0	0	109.6	I492 E496 Y498 L503 W526 L527	I492-L494 HydrophobicContact CD1-CD2 3.67Å; I492-L494 HydrophobicContact CG1-CD2 4.1Å; I492-L494 HydrophobicContact CG1-CG 4.47Å; I492-L494 PolarHBondContact O-N 2.79Å; I492-L494 VanDerWaalsContact O-N 3.17Å; L494-E496 PolarHBondContact O-N 3.24Å; L494-Y498 HydrophobicContact CD1-CD2 3.93Å; L494-Y498 HydrophobicContact CD1-CG 4.13Å; L494-L503 HydrophobicContact CD1-CD1 3.8Å; L494-L503 HydrophobicContact CD1-CD2 3.97Å; L494-L503 HydrophobicContact CG-CD1 4.31Å; L494-W526 HydrophobicContact CD1-CE3 4.48Å; L494-W526 HydrophobicContact CD1-CZ3 4.33Å; L494-W526 WeakPolarHBondContact CD2-O 3.45Å; L494-L527 HydrophobicContact CD1-CD2 4.02Å; L494-L527 HydrophobicContact CD2-CD2 4.16Å; L494-L527 HydrophobicContact CG-CD2 4.4Å
495	N	81.3	Confident	85.5	Confident	182 Å²	182	55.2 Å²	55.2	97%	0.973	31%	0.313	S	S	*	.	S	Bend	trans	-78.6	-0.5	169.9	-70.3	-15.5	0	0	0	112.2
496	E	80.9	Confident	85.4	Confident	93 Å²	93	54.9 Å²	54.9	44%	0.435	31%	0.309	S	S	.	.	S	Bend	trans	-106.1	149.6	173.9	-65.7	178.8	-138.1	0	0	109.7	R129 L494 Y498	R129-E496 IonicContact CZ-OE1 2.69Å; R129-E496 IonicContact CZ-OE2 3.78Å; R129-E496 IonicContact NH1-OE1 3.7Å; R129-E496 IonicContact NH1-OE2 3.75Å; R129-E496 PolarHBondContact NH1-OE2 3.34Å; R129-E496 IonicContact NH2-OE1 3.88Å; R129-E496 PolarHBondContact NH2-OE1 2.03Å; R129-E496 IonicContact NH2-OE2 2.87Å; R129-E496 PolarHBondContact NH2-OE2 2.86Å; L494-E496 PolarHBondContact O-N 3.24Å; E496-Y498 HydrophobicContact CB-CD2 3.89Å; E496-Y498 HydrophobicContact CB-CE2 3.98Å; E496-Y498 PolarHBondContact O-N 3.38Å
497	S	82	Confident	85.3	Confident	77 Å²	77	54.7 Å²	54.7	54%	0.538	31%	0.308	S	S	.	.			trans	-76.3	110.9	179.1	-172.4	0	0	0	0	110.6
498	Y	84.1	Confident	85.3	Confident	16 Å²	16	54.5 Å²	54.5	6%	0.063	31%	0.306	C	S	.	.			trans	-140	153.3	179.3	-89.2	-92	0	0	0	109.7	R129 K171 D172 F173 L494 E496 T500 L503 W526	R129-Y498 PolarHBondContact NH1-OH 3.23Å; K171-Y498 HydrophobicContact CB-CE2 4.46Å; K171-Y498 WeakPolarHBondContact CB-OH 3.24Å; D172-Y498 HydrophobicContact CB-CD1 3.59Å; D172-Y498 HydrophobicContact CB-CE1 3.85Å; D172-Y498 HydrophobicContact CB-CG 4.17Å; D172-Y498 WeakPolarHBondContact OD2-CD1 3.47Å; F173-Y498 VanDerWaalsContact CZ-C 3.42Å; L494-Y498 HydrophobicContact CD1-CD2 3.93Å; L494-Y498 HydrophobicContact CD1-CG 4.13Å; E496-Y498 HydrophobicContact CB-CD2 3.89Å; E496-Y498 HydrophobicContact CB-CE2 3.98Å; E496-Y498 PolarHBondContact O-N 3.38Å; Y498-T500 PolarHBondContact O-N 3.38Å; Y498-L503 HydrophobicContact CD1-CD2 3.43Å; Y498-L503 VanDerWaalsContact CD1-CD2 3.43Å; Y498-L503 HydrophobicContact CD1-CG 4.31Å; Y498-L503 HydrophobicContact CE1-CD2 4.29Å; Y498-L503 HydrophobicContact CG-CD2 3.74Å; Y498-L503 HydrophobicContact CG-CG 4.37Å; Y498-W526 HydrophobicContact CD1-CZ3 4.48Å; Y498-W526 HydrophobicContact CE1-CH2 4.31Å; Y498-W526 AromaticContact CE1-CZ3 3.96Å; Y498-W526 HydrophobicContact CE1-CZ3 3.96Å; Y498-W526 HydrophobicContact CE2-CZ3 4.32Å; Y498-W526 AromaticContact CZ-CZ3 3.86Å
499	D	82.9	Confident	85.5	Confident	29 Å²	29	53.1 Å²	53.1	16%	0.155	30%	0.299	C	S	.	.			trans	-77.2	107.9	173.5	-176.3	-2.9	0	0	0	109.7	D172 F173 N501 T502 L503	D172-D499 PolarHBondContact OD2-N 3.21Å; F173-D499 HydrophobicContact CD1-CB 4.16Å; F173-D499 HydrophobicContact CE1-CB 3.55Å; F173-D499 HydrophobicContact CZ-CB 3.84Å; F173-D499 VanDerWaalsContact CZ-N 3.31Å; D499-N501 PolarHBondContact O-N 3.37Å; D499-N501 VanDerWaalsContact O-N 3.09Å; D499-N501 WeakPolarHBondContact OD1-CB 3.44Å; D499-N501 PolarHBondContact OD1-N 3.3Å; D499-N501 PolarHBondContact OD1-ND2 3.28Å; D499-T502 PolarHBondContact O-N 2.93Å; D499-T502 VanDerWaalsContact O-N 3.07Å; D499-T502 PolarHBondContact O-OG1 2.9Å; D499-L503 WeakPolarHBondContact O-CG 3.49Å; D499-L503 PolarHBondContact O-N 2.78Å
500	T	81.1	Confident	85.7	Confident	66 Å²	66	52.4 Å²	52.4	41%	0.405	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.5	-178.7	54.8	0	0	0	0	113.4	Y498	Y498-T500 PolarHBondContact O-N 3.38Å
501	N	82.3	Confident	86.3	Confident	125 Å²	125	47 Å²	47	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-33.6	177.5	-57.6	-61.8	0	0	0	112.3	D499	D499-N501 PolarHBondContact O-N 3.37Å; D499-N501 VanDerWaalsContact O-N 3.09Å; D499-N501 WeakPolarHBondContact OD1-CB 3.44Å; D499-N501 PolarHBondContact OD1-N 3.3Å; D499-N501 PolarHBondContact OD1-ND2 3.28Å
502	T	86.5	Confident	87.7	Confident	21 Å²	21	46.9 Å²	46.9	13%	0.129	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-13.1	-177.1	70.9	0	0	0	0	113.2	D499 L504 S505 K506	D499-T502 PolarHBondContact O-N 2.93Å; D499-T502 VanDerWaalsContact O-N 3.07Å; D499-T502 PolarHBondContact O-OG1 2.9Å; T502-L504 PolarHBondContact O-N 2.67Å; T502-L504 VanDerWaalsContact O-N 3.1Å; T502-S505 PolarHBondContact O-N 3.12Å; T502-S505 PolarHBondContact O-OG 3.45Å; T502-S505 VanDerWaalsContact O-OG 3.08Å; T502-K506 PolarHBondContact O-NZ 3.04Å; T502-K506 PolarHBondContact OG1-NZ 3.46Å
503	L	88.9	Confident	88.9	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.5	-28.4	173.8	-86.4	-179.6	0	0	0	113.6	L494 Y498 D499 S505 K506 W526 L527	L494-L503 HydrophobicContact CD1-CD1 3.8Å; L494-L503 HydrophobicContact CD1-CD2 3.97Å; L494-L503 HydrophobicContact CG-CD1 4.31Å; Y498-L503 HydrophobicContact CD1-CD2 3.43Å; Y498-L503 VanDerWaalsContact CD1-CD2 3.43Å; Y498-L503 HydrophobicContact CD1-CG 4.31Å; Y498-L503 HydrophobicContact CE1-CD2 4.29Å; Y498-L503 HydrophobicContact CG-CD2 3.74Å; Y498-L503 HydrophobicContact CG-CG 4.37Å; D499-L503 WeakPolarHBondContact O-CG 3.49Å; D499-L503 PolarHBondContact O-N 2.78Å; L503-S505 PolarHBondContact O-N 3.17Å; L503-S505 VanDerWaalsContact O-N 3.13Å; L503-K506 HydrophobicContact CD2-CD 4.49Å; L503-K506 PolarHBondContact O-N 3.4Å; L503-W526 HydrophobicContact CD2-CH2 4.5Å; L503-W526 HydrophobicContact CD2-CZ3 4.33Å; L503-L527 HydrophobicContact CD2-CD1 4.18Å; L503-L527 HydrophobicContact CD2-CD2 4.43Å
504	L	90.8	Very high	90.2	Very high	45 Å²	45	43.6 Å²	43.6	24%	0.236	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.9	-174	-49.6	177.2	0	0	0	113.2	N488 I489 A491 T502	N488-L504 VanDerWaalsContact CA-O 3.32Å; N488-L504 WeakPolarHBondContact CA-O 3.35Å; N488-L504 HydrophobicContact CB-CB 4.03Å; N488-L504 PolarHBondContact OD1-O 2.77Å; I489-L504 PolarHBondContact N-O 3.02Å; I489-L504 VanDerWaalsContact N-O 3.11Å; I489-L504 WeakPolarHBondContact O-CD2 3.3Å; A491-L504 HydrophobicContact CB-CD2 3.73Å; A491-L504 VanDerWaalsContact N-CD2 3.26Å; T502-L504 PolarHBondContact O-N 2.67Å; T502-L504 VanDerWaalsContact O-N 3.1Å
505	S	94.2	Very high	91	Very high	2 Å²	2	45 Å²	45	1%	0.014	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-94.8	-3.6	-178.2	62.3	0	0	0	0	113.7	P448 S450 R452 Y479 T502 L503	P448-S505 PolarHBondContact O-OG 2.84Å; S450-S505 WeakPolarHBondContact O-CB 3.23Å; S450-S505 PolarHBondContact O-OG 2.61Å; R452-S505 VanDerWaalsContact CZ-O 3.26Å; R452-S505 PolarHBondContact NE-O 2.76Å; R452-S505 VanDerWaalsContact NE-O 3.13Å; R452-S505 PolarHBondContact NH2-O 2.82Å; Y479-S505 WeakPolarHBondContact CE1-O 3.23Å; Y479-S505 PolarHBondContact OH-O 2.63Å; T502-S505 PolarHBondContact O-N 3.12Å; T502-S505 PolarHBondContact O-OG 3.45Å; T502-S505 VanDerWaalsContact O-OG 3.08Å; L503-S505 PolarHBondContact O-N 3.17Å; L503-S505 VanDerWaalsContact O-N 3.13Å
506	K	95.8	Very high	91.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	22%	0.215	C	C	.	.			trans	-98.6	13.5	-174.8	-60.2	177.2	171.7	78.3	0	113	Y127 S130 P448 D449 Y480 T502 L503 W526 L527	Y127-K506 HydrophobicContact CD1-CB 4.44Å; Y127-K506 HydrophobicContact CE1-CB 4.3Å; Y127-K506 HydrophobicContact CE1-CD 4.4Å; Y127-K506 HydrophobicContact CE2-CD 4.14Å; S130-K506 WeakPolarHBondContact CB-O 3.38Å; S130-K506 PolarHBondContact OG-O 2.91Å; P448-K506 PolarHBondContact O-NZ 3.19Å; D449-K506 IonicContact OD1-NZ 3.42Å; Y480-K506 PolarHBondContact OH-O 3.01Å; T502-K506 PolarHBondContact O-NZ 3.04Å; T502-K506 PolarHBondContact OG1-NZ 3.46Å; L503-K506 HydrophobicContact CD2-CD 4.49Å; L503-K506 PolarHBondContact O-N 3.4Å; K506-W526 HydrophobicContact CB-CH2 4.14Å; K506-W526 HydrophobicContact CB-CZ2 4.35Å; K506-W526 WeakPolarHBondContact O-CZ2 3.38Å; K506-L527 HydrophobicContact CB-CD1 4.06Å; K506-L527 WeakPolarHBondContact O-CD1 3.47Å
507	S	96.5	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-61.1	150.5	179.7	58.9	0	0	0	0	113.4	Y480 I489	Y480-S507 PolarHBondContact OH-O 2.77Å; I489-S507 VanDerWaalsContact CG2-CB 3.47Å
508	P	98	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-59.4	144.5	-179.2	-21.4	31.7	0	0	0	113.6	S130 M486 F519 L527 P528 T529	S130-P508 CarbonylContact O-C 3.57Å; S130-P508 WeakPolarHBondContact O-CA 3.49Å; M486-P508 VanDerWaalsContact CE-O 3.3Å; M486-P508 WeakPolarHBondContact CE-O 3.47Å; P508-F519 HydrophobicContact CB-CB 4.01Å; P508-F519 HydrophobicContact CB-CD1 3.64Å; P508-F519 HydrophobicContact CB-CD2 3.78Å; P508-F519 HydrophobicContact CB-CE1 3.98Å; P508-F519 HydrophobicContact CB-CE2 4.13Å; P508-F519 HydrophobicContact CB-CG 3.52Å; P508-F519 HydrophobicContact CB-CZ 4.21Å; P508-F519 HydrophobicContact CG-CD1 4.14Å; P508-F519 HydrophobicContact CG-CE1 4.17Å; P508-F519 HydrophobicContact CG-CG 4.49Å; P508-L527 WeakPolarHBondContact CD-O 3.31Å; P508-L527 VanDerWaalsContact CG-O 3.28Å; P508-L527 WeakPolarHBondContact CG-O 3.38Å; P508-P528 WeakPolarHBondContact CD-O 3.45Å; P508-T529 HydrophobicContact CB-CG2 4.13Å; P508-T529 HydrophobicContact CG-CG2 4.25Å
509	M	98.7	Very high	94.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-60.9	137.9	178.4	-178.8	54.9	179.4	0	0	111.8	S130 F131 Y151 Y480 E483 I484 M486 W511 V538	S130-M509 PolarHBondContact O-N 2.87Å; F131-M509 WeakPolarHBondContact O-CB 3.49Å; Y151-M509 HydrophobicContact CE1-CE 4.41Å; Y480-M509 HydrophobicContact CD2-CB 4Å; Y480-M509 HydrophobicContact CD2-CG 4.37Å; Y480-M509 HydrophobicContact CD2-SD 3.93Å; Y480-M509 HydrophobicContact CE2-CB 4.05Å; E483-M509 WeakPolarHBondContact OE1-CE 3.41Å; I484-M509 HydrophobicContact CD1-CE 3.82Å; I484-M509 HydrophobicContact CD1-SD 4.11Å; I484-M509 HydrophobicContact CG1-CE 4.41Å; M486-M509 HydrophobicContact SD-SD 3.57Å; M509-W511 HydrophobicContact CB-CZ2 4.34Å; M509-W511 HydrophobicContact CE-CH2 4.43Å; M509-W511 HydrophobicContact CE-CZ3 4.38Å; M509-W511 HydrophobicContact CG-CD2 4.07Å; M509-W511 HydrophobicContact CG-CH2 4.19Å; M509-W511 HydrophobicContact CG-CZ2 3.6Å; M509-W511 PolarHBondContact O-N 3.28Å; M509-V538 HydrophobicContact CE-CG2 3.56Å
510	Q	98.7	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.			trans	-97.8	93	-173.4	-55.7	-178.7	40.2	0	0	110.8	I484 M486 A517 D532 V536 N537 V538	I484-Q510 HydrophobicContact CD1-CB 4.13Å; M486-Q510 HydrophobicContact CE-CG 4.17Å; M486-Q510 HydrophobicContact CG-CG 4.34Å; M486-Q510 HydrophobicContact SD-CG 4.27Å; Q510-A517 HydrophobicContact CB-CB 4.15Å; Q510-A517 HydrophobicContact CG-CB 4.32Å; Q510-D532 PolarHBondContact OE1-OD1 3.31Å; Q510-V536 WeakPolarHBondContact CB-O 3.01Å; Q510-V536 PolarHBondContact OE1-O 3.04Å; Q510-N537 HydrophobicContact CB-CB 4.23Å; Q510-N537 VanDerWaalsContact O-CA 3.32Å; Q510-N537 WeakPolarHBondContact O-CA 3.48Å; Q510-N537 WeakPolarHBondContact O-CB 3.14Å; Q510-V538 PolarHBondContact O-N 3.34Å
511	W	98.8	Very high	95.6	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.038	18%	0.176	C	C	.	.			trans	-84.2	-48.7	-174	-66	105.5	0	0	0	113.4	F131 K148 Y151 M509 A517 V538 D539	F131-W511 HydrophobicContact CD1-CZ2 4.32Å; F131-W511 HydrophobicContact CD2-CZ2 4.33Å; F131-W511 HydrophobicContact CE1-CH2 4.21Å; F131-W511 AromaticContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE2-CH2 4.08Å; F131-W511 AromaticContact CE2-CZ2 3.94Å; F131-W511 HydrophobicContact CE2-CZ2 3.94Å; F131-W511 AromaticContact CZ-CH2 3.71Å; F131-W511 HydrophobicContact CZ-CH2 3.71Å; F131-W511 AromaticContact CZ-CZ2 3.77Å; F131-W511 HydrophobicContact CZ-CZ2 3.77Å; F131-W511 PolarHBondContact O-NE1 2.99Å; K148-W511 HydrophobicContact CB-CH2 4.04Å; K148-W511 HydrophobicContact CB-CZ2 4.25Å; K148-W511 HydrophobicContact CD-CD2 4.36Å; K148-W511 HydrophobicContact CD-CE3 4.25Å; K148-W511 HydrophobicContact CD-CH2 3.9Å; K148-W511 HydrophobicContact CD-CZ2 4Å; K148-W511 HydrophobicContact CD-CZ3 4.03Å; K148-W511 HydrophobicContact CG-CH2 3.89Å; K148-W511 HydrophobicContact CG-CZ2 3.75Å; Y151-W511 AromaticContact CD1-CH2 3.56Å; Y151-W511 HydrophobicContact CD1-CH2 3.56Å; Y151-W511 AromaticContact CD1-CZ3 3.53Å; Y151-W511 HydrophobicContact CD1-CZ3 3.53Å; Y151-W511 HydrophobicContact CD2-CZ3 4.11Å; Y151-W511 AromaticContact CE1-CH2 3.82Å; Y151-W511 HydrophobicContact CE1-CH2 3.82Å; Y151-W511 AromaticContact CE1-CZ3 3.75Å; Y151-W511 HydrophobicContact CE1-CZ3 3.75Å; Y151-W511 HydrophobicContact CE2-CZ3 4.31Å; Y151-W511 HydrophobicContact CG-CH2 4.15Å; Y151-W511 AromaticContact CG-CZ3 3.7Å; Y151-W511 HydrophobicContact CG-CZ3 3.7Å; M509-W511 HydrophobicContact CB-CZ2 4.34Å; M509-W511 HydrophobicContact CE-CH2 4.43Å; M509-W511 HydrophobicContact CE-CZ3 4.38Å; M509-W511 HydrophobicContact CG-CD2 4.07Å; M509-W511 HydrophobicContact CG-CH2 4.19Å; M509-W511 HydrophobicContact CG-CZ2 3.6Å; M509-W511 PolarHBondContact O-N 3.28Å; W511-A517 WeakPolarHBondContact CA-O 3.44Å; W511-A517 WeakPolarHBondContact CB-O 3.06Å; W511-A517 PolarHBondContact N-O 3.41Å; W511-V538 HydrophobicContact CE3-CB 4.22Å; W511-V538 HydrophobicContact CE3-CG1 4.44Å; W511-V538 HydrophobicContact CE3-CG2 3.9Å; W511-V538 HydrophobicContact CZ3-CG2 4.13Å; W511-V538 WeakPolarHBondContact O-CB 3.49Å; W511-V538 PolarHBondContact O-N 3.09Å; W511-D539 PolarHBondContact O-N 2.89Å
512	D	98.4	Very high	96.3	Very high	45 Å²	45	26.2 Å²	26.2	24%	0.241	15%	0.15	C	C	.	.	S	Bend	trans	-150.3	-169.8	-176.5	61	51.6	0	0	0	111.4	S514 A517 G518 D539	D512-S514 WeakPolarHBondContact OD1-CB 3.16Å; D512-S514 PolarHBondContact OD1-N 3.33Å; D512-S514 PolarHBondContact OD1-OG 3.03Å; D512-A517 PolarHBondContact N-O 3.45Å; D512-A517 CarbonylContact O-C 3.38Å; D512-A517 VanDerWaalsContact O-CA 3.22Å; D512-A517 WeakPolarHBondContact O-CA 3.39Å; D512-G518 WeakPolarHBondContact OD1-CA 3.24Å; D512-G518 PolarHBondContact OD1-N 2.88Å; D512-D539 HydrophobicContact CB-CB 4.04Å
513	N	97.6	Very high	96.7	Very high	103 Å²	103	30.3 Å²	30.3	55%	0.551	18%	0.18	S	C	*	.	S	Bend	trans	-95	7.7	-176.7	69.5	-3.7	0	0	0	114.5
514	S	97.8	Very high	96.8	Very high	52 Å²	52	37.1 Å²	37.1	36%	0.364	21%	0.211	S	C	.	.	S	Bend	trans	-74.7	178.3	176.4	72.8	0	0	0	0	111.8	D512 N516 A517 G518 Y533	D512-S514 WeakPolarHBondContact OD1-CB 3.16Å; D512-S514 PolarHBondContact OD1-N 3.33Å; D512-S514 PolarHBondContact OD1-OG 3.03Å; S514-N516 PolarHBondContact O-N 2.91Å; S514-A517 WeakPolarHBondContact O-CA 3.34Å; S514-A517 PolarHBondContact O-N 2.9Å; S514-G518 VanDerWaalsContact OG-CA 3.31Å; S514-G518 WeakPolarHBondContact OG-CA 3.31Å; S514-G518 PolarHBondContact OG-N 3.32Å; S514-Y533 WeakPolarHBondContact O-CE2 3.25Å
515	S	96.9	Very high	97	Very high	73 Å²	73	36.3 Å²	36.3	51%	0.51	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-50.8	136	176.5	51.8	0	0	0	0	111.4	A517 G518	S515-A517 PolarHBondContact O-N 3Å; S515-G518 PolarHBondContact O-N 3.27Å
516	N	97.4	Very high	97	Very high	28 Å²	28	37.2 Å²	37.2	15%	0.15	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	52.5	35.8	-175.7	-44.6	-54	0	0	0	112.8	S514 G518 F519 S520 A522 T525 T529	S514-N516 PolarHBondContact O-N 2.91Å; N516-G518 PolarHBondContact O-N 2.03Å; N516-G518 VanDerWaalsContact O-N 3.1Å; N516-F519 VanDerWaalsContact O-CB 3.25Å; N516-F519 WeakPolarHBondContact O-CB 3.43Å; N516-F519 PolarHBondContact O-N 2.61Å; N516-S520 PolarHBondContact ND2-O 2.87Å; N516-A522 PolarHBondContact ND2-O 3.29Å; N516-T525 HydrophobicContact CB-CG2 3.9Å; N516-T529 HydrophobicContact CB-CG2 4.2Å
517	A	98.1	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	54.7	28.7	178.6	0	0	0	0	0	115.1	Q510 W511 D512 S514 S515 F519 T529 Y533	Q510-A517 HydrophobicContact CB-CB 4.15Å; Q510-A517 HydrophobicContact CG-CB 4.32Å; W511-A517 WeakPolarHBondContact CA-O 3.44Å; W511-A517 WeakPolarHBondContact CB-O 3.06Å; W511-A517 PolarHBondContact N-O 3.41Å; D512-A517 PolarHBondContact N-O 3.45Å; D512-A517 CarbonylContact O-C 3.38Å; D512-A517 VanDerWaalsContact O-CA 3.22Å; D512-A517 WeakPolarHBondContact O-CA 3.39Å; S514-A517 WeakPolarHBondContact O-CA 3.34Å; S514-A517 PolarHBondContact O-N 2.9Å; S515-A517 PolarHBondContact O-N 3Å; A517-F519 PolarHBondContact O-N 2.82Å; A517-T529 HydrophobicContact CB-CG2 4.24Å; A517-Y533 HydrophobicContact CB-CD2 3.44Å; A517-Y533 VanDerWaalsContact CB-CD2 3.44Å; A517-Y533 HydrophobicContact CB-CE2 4.25Å; A517-Y533 HydrophobicContact CB-CG 3.71Å
518	G	98.2	Very high	96.8	Very high	11 Å²	11	39.5 Å²	39.5	11%	0.113	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	71.5	4.4	-176.3	0	0	0	0	0	114.7	K132 D512 S514 S515 N516	K132-G518 VanDerWaalsContact CE-O 3.24Å; K132-G518 WeakPolarHBondContact CE-O 3.25Å; K132-G518 PolarHBondContact NZ-O 3.37Å; D512-G518 WeakPolarHBondContact OD1-CA 3.24Å; D512-G518 PolarHBondContact OD1-N 2.88Å; S514-G518 VanDerWaalsContact OG-CA 3.31Å; S514-G518 WeakPolarHBondContact OG-CA 3.31Å; S514-G518 PolarHBondContact OG-N 3.32Å; S515-G518 PolarHBondContact O-N 3.27Å; N516-G518 PolarHBondContact O-N 2.03Å; N516-G518 VanDerWaalsContact O-N 3.1Å
519	F	98.6	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-66.7	-48.2	173.2	166.7	-101.1	0	0	0	111.2	R129 K132 D133 P508 N516 A517 T525	R129-F519 WeakPolarHBondContact O-CZ 3.34Å; K132-F519 PolarHBondContact NZ-O 3.11Å; D133-F519 HydrophobicContact CB-CE1 4.15Å; D133-F519 HydrophobicContact CB-CZ 4.14Å; D133-F519 PolarHBondContact N-O 3.21Å; D133-F519 VanDerWaalsContact N-O 3.13Å; P508-F519 HydrophobicContact CB-CB 4.01Å; P508-F519 HydrophobicContact CB-CD1 3.64Å; P508-F519 HydrophobicContact CB-CD2 3.78Å; P508-F519 HydrophobicContact CB-CE1 3.98Å; P508-F519 HydrophobicContact CB-CE2 4.13Å; P508-F519 HydrophobicContact CB-CG 3.52Å; P508-F519 HydrophobicContact CB-CZ 4.21Å; P508-F519 HydrophobicContact CG-CD1 4.14Å; P508-F519 HydrophobicContact CG-CE1 4.17Å; P508-F519 HydrophobicContact CG-CG 4.49Å; N516-F519 VanDerWaalsContact O-CB 3.25Å; N516-F519 WeakPolarHBondContact O-CB 3.43Å; N516-F519 PolarHBondContact O-N 2.61Å; A517-F519 PolarHBondContact O-N 2.82Å; F519-T525 HydrophobicContact CD1-CG2 3.62Å; F519-T525 HydrophobicContact CE1-CG2 3.76Å
520	S	98.3	Very high	96.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	24%	0.24	C	C	.	.			trans	-143.5	145.6	-176.2	179.7	0	0	0	0	112.1	D133 N516 A522	D133-S520 VanDerWaalsContact OD2-CB 3.24Å; D133-S520 WeakPolarHBondContact OD2-CB 3.39Å; D133-S520 PolarHBondContact OD2-OG 2.84Å; N516-S520 PolarHBondContact ND2-O 2.87Å; S520-A522 VanDerWaalsContact C-N 3.34Å; S520-A522 WeakPolarHBondContact OG-CB 3.42Å; S520-A522 PolarHBondContact OG-N 3.28Å
521	E	97.5	Very high	96.4	Very high	137 Å²	137	46.9 Å²	46.9	64%	0.64	28%	0.275	S	S	*	.			trans	-88.7	-0	169.3	-66.1	176.8	-138.6	0	0	113	K136	K136-E521 HydrophobicContact CD-CB 3.96Å; K136-E521 VanDerWaalsContact CE-OE2 3.26Å; K136-E521 WeakPolarHBondContact CE-OE2 3.34Å; K136-E521 HydrophobicContact CG-CB 4.11Å; K136-E521 IonicContact NZ-OE2 2.66Å; K136-E521 PolarHBondContact NZ-OE2 3.16Å
522	A	96.6	Very high	96.4	Very high	15 Å²	15	48.7 Å²	48.7	12%	0.124	29%	0.286	C	S	.	.	S	Bend	trans	-66	158.9	176.3	0	0	0	0	0	111.6	K136 N516 S520 H524	K136-A522 WeakPolarHBondContact O-CB 3.04Å; N516-A522 PolarHBondContact ND2-O 3.29Å; S520-A522 VanDerWaalsContact C-N 3.34Å; S520-A522 WeakPolarHBondContact OG-CB 3.42Å; S520-A522 PolarHBondContact OG-N 3.28Å; A522-H524 VanDerWaalsContact C-N 3.26Å; A522-H524 WeakPolarHBondContact CB-O 3.47Å; A522-H524 PolarHBondContact O-N 3.28Å
523	S	94.1	Very high	96.3	Very high	108 Å²	108	48.4 Å²	48.4	76%	0.755	28%	0.281	S	S	*	.	S	Bend	trans	-64.9	-31.1	175.6	64.1	0	0	0	0	113.4
524	H	91.9	Very high	96.3	Very high	146 Å²	146	48.6 Å²	48.6	68%	0.676	28%	0.278	S	S	*	.	S	Bend	trans	-143.6	149.9	-179.5	-59.9	83.1	0	0	0	109.2	A522	A522-H524 VanDerWaalsContact C-N 3.26Å; A522-H524 WeakPolarHBondContact CB-O 3.47Å; A522-H524 PolarHBondContact O-N 3.28Å
525	T	94.8	Very high	96.3	Very high	27 Å²	27	50.6 Å²	50.6	17%	0.166	29%	0.289	C	S	.	.			trans	-108.8	162.2	175.3	49.5	0	0	0	0	110.6	N516 F519 L527	N516-T525 HydrophobicContact CB-CG2 3.9Å; F519-T525 HydrophobicContact CD1-CG2 3.62Å; F519-T525 HydrophobicContact CE1-CG2 3.76Å; T525-L527 WeakPolarHBondContact CB-O 3.48Å; T525-L527 PolarHBondContact O-N 2.97Å; T525-L527 PolarHBondContact OG1-O 3.32Å
526	W	94.1	Very high	96.3	Very high	22 Å²	22	48.5 Å²	48.5	8%	0.083	27%	0.273	C	S	.	.	S	Bend	trans	-62.1	-31.2	-179.7	82.2	-80.8	0	0	0	113.1	Y127 R129 S130 G138 N139 L494 Y498 L503 K506	Y127-W526 HydrophobicContact CD1-CZ2 4.26Å; Y127-W526 AromaticContact CE1-CH2 3.7Å; Y127-W526 HydrophobicContact CE1-CH2 3.7Å; Y127-W526 AromaticContact CE1-CZ2 3.55Å; Y127-W526 HydrophobicContact CE1-CZ2 3.55Å; R129-W526 HydrophobicContact CB-CZ2 4.18Å; R129-W526 HydrophobicContact CG-CD2 3.97Å; R129-W526 HydrophobicContact CG-CG 4.11Å; R129-W526 HydrophobicContact CG-CZ2 4.28Å; R129-W526 PolarHBondContact O-NE1 3.09Å; S130-W526 VanDerWaalsContact OG-CE2 3.29Å; S130-W526 WeakPolarHBondContact OG-CZ2 3.41Å; S130-W526 PolarHBondContact OG-NE1 3.44Å; G138-W526 PolarHBondContact O-N 2.04Å; N139-W526 WeakPolarHBondContact OD1-CB 3.42Å; L494-W526 HydrophobicContact CD1-CE3 4.48Å; L494-W526 HydrophobicContact CD1-CZ3 4.33Å; L494-W526 WeakPolarHBondContact CD2-O 3.45Å; Y498-W526 HydrophobicContact CD1-CZ3 4.48Å; Y498-W526 HydrophobicContact CE1-CH2 4.31Å; Y498-W526 AromaticContact CE1-CZ3 3.96Å; Y498-W526 HydrophobicContact CE1-CZ3 3.96Å; Y498-W526 HydrophobicContact CE2-CZ3 4.32Å; Y498-W526 AromaticContact CZ-CZ3 3.86Å; L503-W526 HydrophobicContact CD2-CH2 4.5Å; L503-W526 HydrophobicContact CD2-CZ3 4.33Å; K506-W526 HydrophobicContact CB-CH2 4.14Å; K506-W526 HydrophobicContact CB-CZ2 4.35Å; K506-W526 WeakPolarHBondContact O-CZ2 3.38Å
527	L	94.4	Very high	96.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-129.6	147.3	166.4	-82.4	178.6	0	0	0	110	I489 I492 L494 L503 K506 P508 T525	I489-L527 HydrophobicContact CD1-CB 4.32Å; I489-L527 HydrophobicContact CD1-CD1 4.31Å; I489-L527 HydrophobicContact CD1-CD2 4.13Å; I492-L527 HydrophobicContact CD1-CD2 4.12Å; I492-L527 HydrophobicContact CG1-CD2 3.98Å; L494-L527 HydrophobicContact CD1-CD2 4.02Å; L494-L527 HydrophobicContact CD2-CD2 4.16Å; L494-L527 HydrophobicContact CG-CD2 4.4Å; L503-L527 HydrophobicContact CD2-CD1 4.18Å; L503-L527 HydrophobicContact CD2-CD2 4.43Å; K506-L527 HydrophobicContact CB-CD1 4.06Å; K506-L527 WeakPolarHBondContact O-CD1 3.47Å; P508-L527 WeakPolarHBondContact CD-O 3.31Å; P508-L527 VanDerWaalsContact CG-O 3.28Å; P508-L527 WeakPolarHBondContact CG-O 3.38Å; T525-L527 WeakPolarHBondContact CB-O 3.48Å; T525-L527 PolarHBondContact O-N 2.97Å; T525-L527 PolarHBondContact OG1-O 3.32Å
528	P	94.4	Very high	96.4	Very high	49 Å²	49	47.5 Å²	47.5	32%	0.318	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-65	144.1	176.6	27.5	-34.5	0	0	0	110.7	I489 I492 P508	I489-P528 HydrophobicContact CD1-CG 4.02Å; I492-P528 VanDerWaalsContact CD1-CD 3.41Å; I492-P528 HydrophobicContact CD1-CG 4.15Å; I492-P528 HydrophobicContact CG1-CG 4.43Å; I492-P528 HydrophobicContact CG2-CG 4.23Å; P508-P528 WeakPolarHBondContact CD-O 3.45Å
529	T	95.4	Very high	96.4	Very high	28 Å²	28	51 Å²	51	17%	0.172	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-69.5	148.9	166.4	53.4	0	0	0	0	110.1	P508 N516 A517	P508-T529 HydrophobicContact CB-CG2 4.13Å; P508-T529 HydrophobicContact CG-CG2 4.25Å; N516-T529 HydrophobicContact CB-CG2 4.2Å; A517-T529 HydrophobicContact CB-CG2 4.24Å
530	N	95.8	Very high	96.4	Very high	22 Å²	22	52.7 Å²	52.7	12%	0.118	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-62.8	146.6	171.7	-159.7	-25	0	0	0	110	G487 N488 I489 D532 Y533	G487-N530 PolarHBondContact O-ND2 2.94Å; N488-N530 PolarHBondContact O-ND2 2.99Å; I489-N530 HydrophobicContact CG2-CB 3.94Å; N530-D532 VanDerWaalsContact CB-OD1 3.24Å; N530-D532 WeakPolarHBondContact CB-OD1 3.39Å; N530-D532 PolarHBondContact O-N 3.14Å; N530-D532 PolarHBondContact OD1-OD1 2.78Å; N530-Y533 WeakPolarHBondContact O-CD1 3.18Å
531	S	96.1	Very high	96.4	Very high	104 Å²	104	53.2 Å²	53.2	73%	0.727	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-74.5	-14.4	-174	57.1	0	0	0	0	113.7	Y533	S531-Y533 VanDerWaalsContact C-N 3.29Å; S531-Y533 PolarHBondContact O-N 3.27Å
532	D	97	Very high	96.4	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.262	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-81.6	-1.2	179.8	60.8	-1.8	0	0	0	114.5	Q510 N530 H534 T535 V536	Q510-D532 PolarHBondContact OE1-OD1 3.31Å; N530-D532 VanDerWaalsContact CB-OD1 3.24Å; N530-D532 WeakPolarHBondContact CB-OD1 3.39Å; N530-D532 PolarHBondContact O-N 3.14Å; N530-D532 PolarHBondContact OD1-OD1 2.78Å; D532-H534 PolarHBondContact O-N 3.28Å; D532-T535 PolarHBondContact O-N 2.97Å; D532-T535 PolarHBondContact O-OG1 3.07Å; D532-V536 HydrophobicContact CB-CG2 4.36Å; D532-V536 PolarHBondContact O-N 3.3Å
533	Y	97.9	Very high	96.4	Very high	39 Å²	39	56.5 Å²	56.5	15%	0.153	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-58.8	-20	-175.5	80.3	-82.5	0	0	0	115.4	S514 A517 N530 S531 T535 N537	S514-Y533 WeakPolarHBondContact O-CE2 3.25Å; A517-Y533 HydrophobicContact CB-CD2 3.44Å; A517-Y533 VanDerWaalsContact CB-CD2 3.44Å; A517-Y533 HydrophobicContact CB-CE2 4.25Å; A517-Y533 HydrophobicContact CB-CG 3.71Å; N530-Y533 WeakPolarHBondContact O-CD1 3.18Å; S531-Y533 VanDerWaalsContact C-N 3.29Å; S531-Y533 PolarHBondContact O-N 3.27Å; Y533-T535 PolarHBondContact O-N 3.04Å; Y533-N537 WeakPolarHBondContact O-CB 3.43Å; Y533-N537 PolarHBondContact O-ND2 3.41Å
534	H	97.4	Very high	96.4	Very high	106 Å²	106	55.6 Å²	55.6	49%	0.491	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.5	-23.5	172.1	-67.6	-63.4	0	0	0	113	D532	D532-H534 PolarHBondContact O-N 3.28Å
535	T	97.1	Very high	96.5	Very high	95 Å²	95	53.1 Å²	53.1	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-30.5	-178.8	52.8	0	0	0	0	113.5	D532 Y533	D532-T535 PolarHBondContact O-N 2.97Å; D532-T535 PolarHBondContact O-OG1 3.07Å; Y533-T535 PolarHBondContact O-N 3.04Å
536	V	98.1	Very high	96.4	Very high	29 Å²	29	60 Å²	60	18%	0.176	32%	0.321	C	S	.	.	S	Bend	trans	-109.6	82.9	-179.9	-175.4	0	0	0	0	108.8	I484 Q510 D532	I484-V536 WeakPolarHBondContact O-CG1 3.07Å; Q510-V536 WeakPolarHBondContact CB-O 3.01Å; Q510-V536 PolarHBondContact OE1-O 3.04Å; D532-V536 HydrophobicContact CB-CG2 4.36Å; D532-V536 PolarHBondContact O-N 3.3Å
537	N	98.8	Very high	96.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-147.8	162.9	173.7	65.8	72	0	0	0	111	Q510 Y533 D539 V540 Q541	Q510-N537 HydrophobicContact CB-CB 4.23Å; Q510-N537 VanDerWaalsContact O-CA 3.32Å; Q510-N537 WeakPolarHBondContact O-CA 3.48Å; Q510-N537 WeakPolarHBondContact O-CB 3.14Å; Y533-N537 WeakPolarHBondContact O-CB 3.43Å; Y533-N537 PolarHBondContact O-ND2 3.41Å; N537-D539 PolarHBondContact O-N 3.21Å; N537-D539 PolarHBondContact OD1-N 3.07Å; N537-D539 VanDerWaalsContact OD1-N 3.11Å; N537-V540 VanDerWaalsContact ND2-CG2 3.35Å; N537-V540 WeakPolarHBondContact ND2-CG2 3.37Å; N537-V540 WeakPolarHBondContact OD1-CB 3.35Å; N537-V540 WeakPolarHBondContact OD1-CG2 3.25Å; N537-V540 PolarHBondContact OD1-N 3.47Å; N537-Q541 WeakPolarHBondContact O-CB 3.15Å; N537-Q541 WeakPolarHBondContact O-CG 3.31Å; N537-Q541 PolarHBondContact O-N 3.19Å; N537-Q541 VanDerWaalsContact O-N 3.08Å
538	V	98.8	Very high	96.7	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-57.1	-47.4	-178.3	172.4	0	0	0	0	111.9	Y151 I484 M509 Q510 W511 Q541 K542 L549	Y151-V538 HydrophobicContact CD2-CG1 3.95Å; Y151-V538 HydrophobicContact CE2-CB 4.45Å; Y151-V538 HydrophobicContact CE2-CG1 3.57Å; Y151-V538 HydrophobicContact CE2-CG2 3.94Å; I484-V538 HydrophobicContact CD1-CG2 4.4Å; I484-V538 HydrophobicContact CG2-CG2 3.9Å; M509-V538 HydrophobicContact CE-CG2 3.56Å; Q510-V538 PolarHBondContact O-N 3.34Å; W511-V538 HydrophobicContact CE3-CB 4.22Å; W511-V538 HydrophobicContact CE3-CG1 4.44Å; W511-V538 HydrophobicContact CE3-CG2 3.9Å; W511-V538 HydrophobicContact CZ3-CG2 4.13Å; W511-V538 WeakPolarHBondContact O-CB 3.49Å; W511-V538 PolarHBondContact O-N 3.09Å; V538-Q541 PolarHBondContact O-N 2.94Å; V538-K542 HydrophobicContact CG1-CD 3.77Å; V538-K542 HydrophobicContact CG1-CG 4.27Å; V538-K542 VanDerWaalsContact O-CG 3.24Å; V538-K542 WeakPolarHBondContact O-CG 3.37Å; V538-K542 PolarHBondContact O-N 3.08Å; V538-L549 HydrophobicContact CG1-CD2 4.27Å
539	D	98.5	Very high	96.9	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-45.9	-172.9	-161.5	46.8	0	0	0	112.9	W511 D512 N537 K542	W511-D539 PolarHBondContact O-N 2.89Å; D512-D539 HydrophobicContact CB-CB 4.04Å; N537-D539 PolarHBondContact O-N 3.21Å; N537-D539 PolarHBondContact OD1-N 3.07Å; N537-D539 VanDerWaalsContact OD1-N 3.11Å; D539-K542 PolarHBondContact O-N 3.04Å
540	V	98	Very high	97.1	Very high	37 Å²	37	59.7 Å²	59.7	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-48	174.8	170.3	0	0	0	0	110.3	N537 K542 T543 Q544	N537-V540 VanDerWaalsContact ND2-CG2 3.35Å; N537-V540 WeakPolarHBondContact ND2-CG2 3.37Å; N537-V540 WeakPolarHBondContact OD1-CB 3.35Å; N537-V540 WeakPolarHBondContact OD1-CG2 3.25Å; N537-V540 PolarHBondContact OD1-N 3.47Å; V540-K542 VanDerWaalsContact C-N 3.29Å; V540-K542 PolarHBondContact O-N 2.91Å; V540-T543 PolarHBondContact O-N 3.34Å; V540-T543 VanDerWaalsContact O-N 3.16Å; V540-T543 PolarHBondContact O-OG1 2.92Å; V540-Q544 HydrophobicContact CG1-CG 4.43Å; V540-Q544 VanDerWaalsContact CG1-NE2 3.28Å; V540-Q544 WeakPolarHBondContact O-CG 3.48Å; V540-Q544 PolarHBondContact O-N 3.35Å
541	Q	98.5	Very high	97.2	Very high	13 Å²	13	59.2 Å²	59.2	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-24.5	-178	-73.1	-162.3	35.6	0	0	113.8	I484 N537 V538 T543 Q544 S547 L549	I484-Q541 PolarHBondContact O-NE2 3.32Å; N537-Q541 WeakPolarHBondContact O-CB 3.15Å; N537-Q541 WeakPolarHBondContact O-CG 3.31Å; N537-Q541 PolarHBondContact O-N 3.19Å; N537-Q541 VanDerWaalsContact O-N 3.08Å; V538-Q541 PolarHBondContact O-N 2.94Å; Q541-T543 VanDerWaalsContact C-N 3.27Å; Q541-T543 PolarHBondContact O-N 2.8Å; Q541-Q544 PolarHBondContact O-N 3.1Å; Q541-S547 WeakPolarHBondContact O-CB 3.24Å; Q541-S547 PolarHBondContact O-OG 3.42Å; Q541-L549 HydrophobicContact CB-CB 3.91Å; Q541-L549 HydrophobicContact CB-CD2 4.16Å; Q541-L549 VanDerWaalsContact OE1-N 3.08Å
542	K	97.1	Very high	97.4	Very high	106 Å²	106	54.2 Å²	54.2	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-32.1	173.4	-80.8	167.4	66.9	-167.6	0	112.8	V538 D539 V540 L549 K550	V538-K542 HydrophobicContact CG1-CD 3.77Å; V538-K542 HydrophobicContact CG1-CG 4.27Å; V538-K542 VanDerWaalsContact O-CG 3.24Å; V538-K542 WeakPolarHBondContact O-CG 3.37Å; V538-K542 PolarHBondContact O-N 3.08Å; D539-K542 PolarHBondContact O-N 3.04Å; V540-K542 VanDerWaalsContact C-N 3.29Å; V540-K542 PolarHBondContact O-N 2.91Å; K542-L549 HydrophobicContact CG-CD2 3.71Å; K542-K550 WeakPolarHBondContact O-CE 3.28Å; K542-K550 PolarHBondContact O-NZ 3.36Å
543	T	95.8	Very high	97.4	Very high	116 Å²	116	53.6 Å²	53.6	71%	0.712	28%	0.275	S	S	*	.	H	α-helix	trans	-88.7	-24.6	-178.7	69	0	0	0	0	113	V540 Q541	V540-T543 PolarHBondContact O-N 3.34Å; V540-T543 VanDerWaalsContact O-N 3.16Å; V540-T543 PolarHBondContact O-OG1 2.92Å; Q541-T543 VanDerWaalsContact C-N 3.27Å; Q541-T543 PolarHBondContact O-N 2.8Å
544	Q	95.6	Very high	97.5	Very high	88 Å²	88	54.4 Å²	54.4	41%	0.411	28%	0.282	S	S	.	.			trans	-78.5	125.9	178.3	-69.7	174.4	-9	0	0	111.1	V540 Q541 R546 S547 K550	V540-Q544 HydrophobicContact CG1-CG 4.43Å; V540-Q544 VanDerWaalsContact CG1-NE2 3.28Å; V540-Q544 WeakPolarHBondContact O-CG 3.48Å; V540-Q544 PolarHBondContact O-N 3.35Å; Q541-Q544 PolarHBondContact O-N 3.1Å; Q544-R546 PolarHBondContact O-N 3.03Å; Q544-S547 PolarHBondContact O-OG 3.13Å; Q544-K550 WeakPolarHBondContact O-CG 3.3Å
545	S	92.7	Very high	97.5	Very high	94 Å²	94	49.5 Å²	49.5	66%	0.657	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.7	178.6	56.6	0	0	0	0	114.3	S626	S545-S626 PolarHBondContact O-OG 2.82Å; S545-S626 VanDerWaalsContact O-OG 3.14Å
546	R	93.6	Very high	97.6	Very high	172 Å²	172	45 Å²	45	65%	0.649	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	34.8	-177.2	-53.9	-167	177.5	177.1	-0.4	112.6	Q544	Q544-R546 PolarHBondContact O-N 3.03Å
547	S	97.2	Very high	97.6	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.049	24%	0.241	C	C	.	.			trans	-91	158.5	177.9	61.6	0	0	0	0	112.5	Q541 Q544 L549 K550 L551	Q541-S547 WeakPolarHBondContact O-CB 3.24Å; Q541-S547 PolarHBondContact O-OG 3.42Å; Q544-S547 PolarHBondContact O-OG 3.13Å; S547-L549 PolarHBondContact O-N 3.23Å; S547-K550 PolarHBondContact O-N 2.59Å; S547-K550 WeakPolarHBondContact OG-CG 3.38Å; S547-K550 PolarHBondContact OG-N 3.46Å; S547-L551 PolarHBondContact O-N 2.8Å
548	A	98.1	Very high	97.6	Very high	14 Å²	14	47.4 Å²	47.4	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-40.6	172.4	0	0	0	0	0	111	V462 E483 K550 L551 Y552	V462-A548 HydrophobicContact CG1-CB 4.19Å; E483-A548 CarbonylContact O-C 3.49Å; E483-A548 VanDerWaalsContact O-C 3.26Å; A548-K550 VanDerWaalsContact C-N 3.35Å; A548-K550 PolarHBondContact O-N 2.86Å; A548-L551 PolarHBondContact O-N 2.89Å; A548-Y552 PolarHBondContact O-N 3.01Å
549	L	98.7	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-43.4	178.1	-177.8	60.9	0	0	0	112.8	Y151 L155 E483 I484 V538 Q541 K542 S547 Y552 Q553	Y151-L549 HydrophobicContact CE2-CD1 4.37Å; L155-L549 HydrophobicContact CD2-CD1 3.56Å; E483-L549 HydrophobicContact CB-CD1 4.42Å; E483-L549 HydrophobicContact CG-CD1 3.89Å; E483-L549 VanDerWaalsContact O-CA 3.23Å; E483-L549 WeakPolarHBondContact O-CA 3.33Å; E483-L549 PolarHBondContact O-N 3.36Å; I484-L549 HydrophobicContact CG2-CB 4.34Å; I484-L549 HydrophobicContact CG2-CD1 4.4Å; V538-L549 HydrophobicContact CG1-CD2 4.27Å; Q541-L549 HydrophobicContact CB-CB 3.91Å; Q541-L549 HydrophobicContact CB-CD2 4.16Å; Q541-L549 VanDerWaalsContact OE1-N 3.08Å; K542-L549 HydrophobicContact CG-CD2 3.71Å; S547-L549 PolarHBondContact O-N 3.23Å; L549-Y552 PolarHBondContact O-N 2.96Å; L549-Q553 VanDerWaalsContact O-CG 3.3Å; L549-Q553 WeakPolarHBondContact O-CG 3.37Å; L549-Q553 PolarHBondContact O-N 3.13Å
550	K	98.3	Very high	97.6	Very high	73 Å²	73	45 Å²	45	32%	0.317	23%	0.234	S	C	.	.	H	α-helix	trans	-66.1	-40.1	178.6	-72.7	-62.9	176.5	-164.4	0	112.3	K542 Q544 S547 A548 Q553 D554	K542-K550 WeakPolarHBondContact O-CE 3.28Å; K542-K550 PolarHBondContact O-NZ 3.36Å; Q544-K550 WeakPolarHBondContact O-CG 3.3Å; S547-K550 PolarHBondContact O-N 2.59Å; S547-K550 WeakPolarHBondContact OG-CG 3.38Å; S547-K550 PolarHBondContact OG-N 3.46Å; A548-K550 VanDerWaalsContact C-N 3.35Å; A548-K550 PolarHBondContact O-N 2.86Å; K550-Q553 PolarHBondContact O-N 3.5Å; K550-D554 WeakPolarHBondContact O-CB 3.32Å; K550-D554 PolarHBondContact O-N 2.93Å
551	L	98.6	Very high	97.6	Very high	11 Å²	11	48 Å²	48	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-43.4	175.4	-179.9	64.7	0	0	0	111.1	N463 S547 A548 Q553 D554 L555 L622 T624	N463-L551 HydrophobicContact CB-CD2 3.42Å; N463-L551 VanDerWaalsContact CB-CD2 3.42Å; N463-L551 VanDerWaalsContact CG-CD2 3.47Å; S547-L551 PolarHBondContact O-N 2.8Å; A548-L551 PolarHBondContact O-N 2.89Å; L551-Q553 PolarHBondContact O-N 3.11Å; L551-D554 PolarHBondContact O-N 3.35Å; L551-L555 HydrophobicContact CD1-CD1 4.22Å; L551-L555 HydrophobicContact CD1-CG 4.24Å; L551-L555 HydrophobicContact CD2-CD1 4.42Å; L551-L555 HydrophobicContact CG-CD1 3.83Å; L551-L555 HydrophobicContact CG-CG 4.31Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.39Å; L551-L555 PolarHBondContact O-N 3.32Å; L551-L622 HydrophobicContact CD1-CD1 4.39Å; L551-L622 HydrophobicContact CD1-CD2 4.06Å; L551-L622 HydrophobicContact CD1-CG 4.09Å; L551-T624 HydrophobicContact CD2-CG2 4.33Å
552	Y	98.8	Very high	97.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-45.5	176.6	-174.1	-76.7	0	0	0	111.9	L155 F470 T478 E483 A548 L549 L555 S556	L155-Y552 HydrophobicContact CB-CE1 4.08Å; L155-Y552 HydrophobicContact CD2-CD1 3.98Å; L155-Y552 HydrophobicContact CD2-CE1 4.19Å; F470-Y552 AromaticContact CE2-CD2 3.84Å; F470-Y552 HydrophobicContact CE2-CD2 3.84Å; F470-Y552 HydrophobicContact CE2-CE1 4.23Å; F470-Y552 AromaticContact CE2-CE2 3.51Å; F470-Y552 HydrophobicContact CE2-CE2 3.51Å; F470-Y552 HydrophobicContact CE2-CG 4.34Å; F470-Y552 AromaticContact CE2-CZ 3.72Å; F470-Y552 HydrophobicContact CZ-CE1 4.02Å; F470-Y552 AromaticContact CZ-CE2 3.91Å; F470-Y552 HydrophobicContact CZ-CE2 3.91Å; F470-Y552 AromaticContact CZ-CZ 3.61Å; T478-Y552 WeakPolarHBondContact CB-OH 3.11Å; T478-Y552 HydrophobicContact CG2-CE2 3.68Å; T478-Y552 WeakPolarHBondContact CG2-OH 3.44Å; T478-Y552 PolarHBondContact OG1-OH 2.81Å; E483-Y552 HydrophobicContact CB-CD1 3.94Å; E483-Y552 HydrophobicContact CB-CD2 3.58Å; E483-Y552 HydrophobicContact CB-CE1 4.27Å; E483-Y552 HydrophobicContact CB-CE2 3.91Å; E483-Y552 HydrophobicContact CB-CG 3.6Å; A548-Y552 PolarHBondContact O-N 3.01Å; L549-Y552 PolarHBondContact O-N 2.96Å; Y552-L555 PolarHBondContact O-N 2.73Å; Y552-S556 WeakPolarHBondContact O-CB 3.14Å; Y552-S556 PolarHBondContact O-N 3.49Å; Y552-S556 PolarHBondContact O-OG 3.41Å
553	Q	98.6	Very high	97.6	Very high	35 Å²	35	46.1 Å²	46.1	16%	0.164	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-44.6	175.4	-72.4	-179.6	-36	0	0	111.9	A154 L155 L549 K550 L551 S556 L557	A154-Q553 PolarHBondContact O-NE2 3.22Å; A154-Q553 VanDerWaalsContact O-NE2 3.13Å; L155-Q553 HydrophobicContact CD2-CG 4.19Å; L549-Q553 VanDerWaalsContact O-CG 3.3Å; L549-Q553 WeakPolarHBondContact O-CG 3.37Å; L549-Q553 PolarHBondContact O-N 3.13Å; K550-Q553 PolarHBondContact O-N 3.5Å; L551-Q553 PolarHBondContact O-N 3.11Å; Q553-S556 PolarHBondContact O-OG 3.38Å; Q553-S556 VanDerWaalsContact O-OG 3.09Å; Q553-L557 WeakPolarHBondContact O-CB 3.49Å; Q553-L557 PolarHBondContact O-N 3.43Å
554	D	98.4	Very high	97.7	Very high	57 Å²	57	40.6 Å²	40.6	31%	0.305	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-38.6	177.5	-86.2	-3.5	0	0	0	112.4	K550 L551 L558 L622 K629	K550-D554 WeakPolarHBondContact O-CB 3.32Å; K550-D554 PolarHBondContact O-N 2.93Å; L551-D554 PolarHBondContact O-N 3.35Å; D554-L558 VanDerWaalsContact O-CB 3.24Å; D554-L558 WeakPolarHBondContact O-CB 3.48Å; D554-L558 PolarHBondContact O-N 3.16Å; D554-L622 HydrophobicContact CB-CD1 4.07Å; D554-L622 HydrophobicContact CB-CD2 4.43Å; D554-K629 IonicContact OD1-NZ 3.03Å; D554-K629 IonicContact OD2-NZ 3.31Å; D554-K629 PolarHBondContact OD2-NZ 3.39Å
555	L	98.8	Very high	97.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-50.7	178.6	-79.2	166.8	0	0	0	112.1	N466 M467 F470 L551 Y552 L557 L558 H559 L622 I647	N466-L555 HydrophobicContact CB-CD1 4.15Å; M467-L555 HydrophobicContact CB-CD1 4.22Å; M467-L555 HydrophobicContact CB-CD2 4.24Å; M467-L555 HydrophobicContact CG-CD2 4.06Å; F470-L555 HydrophobicContact CB-CB 3.97Å; F470-L555 HydrophobicContact CB-CD2 4.3Å; F470-L555 HydrophobicContact CD2-CB 3.74Å; F470-L555 HydrophobicContact CD2-CD1 4.28Å; F470-L555 HydrophobicContact CE2-CB 4.49Å; F470-L555 HydrophobicContact CG-CB 3.92Å; L551-L555 HydrophobicContact CD1-CD1 4.22Å; L551-L555 HydrophobicContact CD1-CG 4.24Å; L551-L555 HydrophobicContact CD2-CD1 4.42Å; L551-L555 HydrophobicContact CG-CD1 3.83Å; L551-L555 HydrophobicContact CG-CG 4.31Å; L551-L555 WeakPolarHBondContact O-CB 3.45Å; L551-L555 VanDerWaalsContact O-CG 3.28Å; L551-L555 WeakPolarHBondContact O-CG 3.39Å; L551-L555 PolarHBondContact O-N 3.32Å; Y552-L555 PolarHBondContact O-N 2.73Å; L555-L557 VanDerWaalsContact C-N 3.35Å; L555-L557 PolarHBondContact O-N 3.08Å; L555-L558 WeakPolarHBondContact O-CB 3.43Å; L555-L558 PolarHBondContact O-N 3.06Å; L555-H559 PolarHBondContact O-N 3.29Å; L555-L622 HydrophobicContact CD2-CD2 3.47Å; L555-L622 VanDerWaalsContact CD2-CD2 3.47Å; L555-L622 HydrophobicContact CG-CD2 3.75Å; L555-I647 HydrophobicContact CD2-CD1 3.99Å
556	S	98.6	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-40.4	179.4	55.4	0	0	0	0	111.8	L155 Y552 Q553 H559 A560	L155-S556 WeakPolarHBondContact O-CB 3.39Å; L155-S556 PolarHBondContact O-OG 2.77Å; Y552-S556 WeakPolarHBondContact O-CB 3.14Å; Y552-S556 PolarHBondContact O-N 3.49Å; Y552-S556 PolarHBondContact O-OG 3.41Å; Q553-S556 PolarHBondContact O-OG 3.38Å; Q553-S556 VanDerWaalsContact O-OG 3.09Å; S556-H559 PolarHBondContact O-N 2.87Å; S556-A560 WeakPolarHBondContact O-CB 3.27Å; S556-A560 PolarHBondContact O-N 2.91Å
557	L	98.6	Very high	98.1	Very high	74 Å²	74	25.4 Å²	25.4	39%	0.387	14%	0.136	S	C	.	.	H	α-helix	trans	-66	-38.1	173.3	-175.3	63.6	0	0	0	112.5	Q553 L555 A560 N561	Q553-L557 WeakPolarHBondContact O-CB 3.49Å; Q553-L557 PolarHBondContact O-N 3.43Å; L555-L557 VanDerWaalsContact C-N 3.35Å; L555-L557 PolarHBondContact O-N 3.08Å; L557-A560 PolarHBondContact O-N 2.9Å; L557-N561 VanDerWaalsContact CD1-ND2 3.26Å; L557-N561 WeakPolarHBondContact CD1-ND2 3.49Å; L557-N561 WeakPolarHBondContact CG-ND2 3.42Å; L557-N561 WeakPolarHBondContact O-CB 3.21Å; L557-N561 PolarHBondContact O-N 3.33Å; L557-N561 VanDerWaalsContact O-N 3.13Å; L557-N561 PolarHBondContact O-ND2 3.09Å
558	L	98.6	Very high	98.1	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-46.7	174.8	-175.5	69	0	0	0	110.5	D554 L555 A560 N561 E562 L565 L622 I647	D554-L558 VanDerWaalsContact O-CB 3.24Å; D554-L558 WeakPolarHBondContact O-CB 3.48Å; D554-L558 PolarHBondContact O-N 3.16Å; L555-L558 WeakPolarHBondContact O-CB 3.43Å; L555-L558 PolarHBondContact O-N 3.06Å; L558-A560 VanDerWaalsContact C-N 3.33Å; L558-A560 PolarHBondContact O-N 2.89Å; L558-N561 PolarHBondContact O-N 3.2Å; L558-E562 HydrophobicContact CD1-CG 3.62Å; L558-E562 HydrophobicContact CG-CG 4.14Å; L558-E562 VanDerWaalsContact O-CB 3.23Å; L558-E562 WeakPolarHBondContact O-CB 3.48Å; L558-E562 VanDerWaalsContact O-CG 3.26Å; L558-E562 WeakPolarHBondContact O-CG 3.45Å; L558-E562 PolarHBondContact O-N 3.49Å; L558-E562 VanDerWaalsContact O-N 3.07Å; L558-L565 HydrophobicContact CB-CD1 4.44Å; L558-L565 HydrophobicContact CD2-CD1 3.91Å; L558-L565 HydrophobicContact CG-CD1 3.7Å; L558-L622 HydrophobicContact CD2-CD2 4.45Å; L558-I647 HydrophobicContact CD2-CD1 3.95Å
559	H	98.6	Very high	98.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-44.2	176.3	-179.2	-85.2	0	0	0	112.1	F470 L555 S556 N561 N566	F470-H559 HydrophobicContact CD1-CB 4.06Å; F470-H559 PolarHBondContact O-CD2 3.47Å; L555-H559 PolarHBondContact O-N 3.29Å; S556-H559 PolarHBondContact O-N 2.87Å; H559-N561 PolarHBondContact O-N 3.31Å; H559-N566 PolarHBondContact O-ND2 3.01Å; H559-N566 VanDerWaalsContact O-ND2 3.12Å
560	A	97.8	Very high	98.1	Very high	36 Å²	36	24.8 Å²	24.8	30%	0.298	13%	0.131	S	C	.	.	H	α-helix	trans	-65.5	-35.8	179.7	0	0	0	0	0	113.4	S556 L557 L558	S556-A560 WeakPolarHBondContact O-CB 3.27Å; S556-A560 PolarHBondContact O-N 2.91Å; L557-A560 PolarHBondContact O-N 2.9Å; L558-A560 VanDerWaalsContact C-N 3.33Å; L558-A560 PolarHBondContact O-N 2.89Å
561	N	98.1	Very high	98.2	Very high	101 Å²	101	21.4 Å²	21.4	54%	0.54	12%	0.116	S	C	.	.	H	α-helix	trans	-91.3	-14	-174.6	-69.7	-41.6	0	0	0	114.2	L557 L558 H559	L557-N561 VanDerWaalsContact CD1-ND2 3.26Å; L557-N561 WeakPolarHBondContact CD1-ND2 3.49Å; L557-N561 WeakPolarHBondContact CG-ND2 3.42Å; L557-N561 WeakPolarHBondContact O-CB 3.21Å; L557-N561 PolarHBondContact O-N 3.33Å; L557-N561 VanDerWaalsContact O-N 3.13Å; L557-N561 PolarHBondContact O-ND2 3.09Å; L558-N561 PolarHBondContact O-N 3.2Å; H559-N561 PolarHBondContact O-N 3.31Å
562	E	98.1	Very high	98.1	Very high	23 Å²	23	21.2 Å²	21.2	11%	0.107	12%	0.115	C	C	.	.			trans	-111.9	110.9	-170.9	-68	-70	-174.2	0	0	112.8	L558 L564 L565 N566 R591 F593	L558-E562 HydrophobicContact CD1-CG 3.62Å; L558-E562 HydrophobicContact CG-CG 4.14Å; L558-E562 VanDerWaalsContact O-CB 3.23Å; L558-E562 WeakPolarHBondContact O-CB 3.48Å; L558-E562 VanDerWaalsContact O-CG 3.26Å; L558-E562 WeakPolarHBondContact O-CG 3.45Å; L558-E562 PolarHBondContact O-N 3.49Å; L558-E562 VanDerWaalsContact O-N 3.07Å; E562-L564 PolarHBondContact O-N 2.79Å; E562-L564 VanDerWaalsContact O-N 3.14Å; E562-L565 HydrophobicContact CB-CB 4.35Å; E562-L565 HydrophobicContact CB-CD1 4.31Å; E562-L565 HydrophobicContact CB-CG 4.14Å; E562-L565 PolarHBondContact O-N 3.1Å; E562-N566 PolarHBondContact O-N 3.37Å; E562-N566 VanDerWaalsContact O-N 3.14Å; E562-N566 PolarHBondContact O-ND2 3.47Å; E562-R591 IonicContact OE1-CZ 3.63Å; E562-R591 IonicContact OE1-NH1 3.37Å; E562-R591 PolarHBondContact OE1-NH1 3.02Å; E562-R591 IonicContact OE1-NH2 3.76Å; E562-R591 PolarHBondContact OE1-NH2 2.89Å; E562-R591 IonicContact OE2-CZ 2.75Å; E562-R591 VanDerWaalsContact OE2-CZ 3.29Å; E562-R591 IonicContact OE2-NH1 2.62Å; E562-R591 PolarHBondContact OE2-NH1 2.86Å; E562-R591 IonicContact OE2-NH2 2.84Å; E562-R591 PolarHBondContact OE2-NH2 3.3Å; E562-F593 HydrophobicContact CB-CE2 4.03Å; E562-F593 HydrophobicContact CG-CE2 3.9Å; E562-F593 HydrophobicContact CG-CZ 4.04Å
563	L	97.8	Very high	97.9	Very high	57 Å²	57	21.3 Å²	21.3	30%	0.298	12%	0.115	S	C	.	.	H	α-helix	trans	-57.2	-28.8	175.1	-72.5	177.8	0	0	0	113.2	L565 N566 R567 G568 L586 I589	L563-L565 VanDerWaalsContact C-N 3.28Å; L563-L565 PolarHBondContact O-N 3.05Å; L563-N566 WeakPolarHBondContact CA-OD1 3.17Å; L563-R567 CarbonylContact O-C 3.6Å; L563-R567 WeakPolarHBondContact O-CA 3.37Å; L563-R567 WeakPolarHBondContact O-CB 3.33Å; L563-R567 PolarHBondContact O-N 2.99Å; L563-G568 PolarHBondContact O-N 3.23Å; L563-L586 HydrophobicContact CB-CD2 4.06Å; L563-I589 HydrophobicContact CB-CD1 4.25Å
564	L	98.1	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-36.9	175.2	-63.6	176	0	0	0	111.7	E562 G568 R584 L586 I589 R591 F593	E562-L564 PolarHBondContact O-N 2.79Å; E562-L564 VanDerWaalsContact O-N 3.14Å; L564-G568 WeakPolarHBondContact O-CA 3.33Å; L564-G568 PolarHBondContact O-N 3.14Å; L564-R584 HydrophobicContact CB-CB 4.46Å; L564-R584 PolarHBondContact O-NH2 2.95Å; L564-L586 HydrophobicContact CD2-CB 3.66Å; L564-I589 HydrophobicContact CD2-CB 4.4Å; L564-I589 HydrophobicContact CD2-CD1 4.35Å; L564-I589 HydrophobicContact CD2-CG2 4.27Å; L564-R591 HydrophobicContact CD1-CG 4.21Å; L564-F593 HydrophobicContact CB-CD2 3.87Å; L564-F593 HydrophobicContact CB-CE2 4.08Å; L564-F593 HydrophobicContact CD1-CD2 3.85Å; L564-F593 HydrophobicContact CD1-CE2 3.89Å; L564-F593 HydrophobicContact CD1-CG 4.45Å
565	L	98.3	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-87.4	-44.5	-176.3	-63.9	-175.5	0	0	0	112.6	T471 L558 E562 L563 R584 F593	T471-L565 HydrophobicContact CG2-CD2 4.42Å; L558-L565 HydrophobicContact CB-CD1 4.44Å; L558-L565 HydrophobicContact CD2-CD1 3.91Å; L558-L565 HydrophobicContact CG-CD1 3.7Å; E562-L565 HydrophobicContact CB-CB 4.35Å; E562-L565 HydrophobicContact CB-CD1 4.31Å; E562-L565 HydrophobicContact CB-CG 4.14Å; E562-L565 PolarHBondContact O-N 3.1Å; L563-L565 VanDerWaalsContact C-N 3.28Å; L563-L565 PolarHBondContact O-N 3.05Å; L565-R584 HydrophobicContact CD2-CB 4.16Å; L565-R584 HydrophobicContact CD2-CG 3.83Å; L565-R584 VanDerWaalsContact O-CZ 3.23Å; L565-R584 PolarHBondContact O-NH1 3.41Å; L565-R584 PolarHBondContact O-NH2 3.02Å; L565-F593 HydrophobicContact CD1-CE2 4.42Å; L565-F593 HydrophobicContact CD2-CD2 3.77Å; L565-F593 HydrophobicContact CD2-CE2 4.38Å; L565-F593 HydrophobicContact CG-CD2 3.96Å; L565-F593 HydrophobicContact CG-CE2 4.06Å
566	N	95.8	Very high	97.1	Very high	19 Å²	19	29.2 Å²	29.2	10%	0.102	15%	0.147	C	C	.	.	H	α-helix	trans	-85.3	-13.2	-176.8	63.5	38.1	0	0	0	114.3	W440 H559 E562 L563	W440-N566 WeakPolarHBondContact CH2-O 3.36Å; H559-N566 PolarHBondContact O-ND2 3.01Å; H559-N566 VanDerWaalsContact O-ND2 3.12Å; E562-N566 PolarHBondContact O-N 3.37Å; E562-N566 VanDerWaalsContact O-N 3.14Å; E562-N566 PolarHBondContact O-ND2 3.47Å; L563-N566 WeakPolarHBondContact CA-OD1 3.17Å
567	R	97	Very high	96.9	Very high	14 Å²	14	32 Å²	32	5%	0.053	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.6	-22.8	-175.8	-162.4	175.7	-171.1	-73.5	-5.2	114.9	L563 N670 A672	L563-R567 CarbonylContact O-C 3.6Å; L563-R567 WeakPolarHBondContact O-CA 3.37Å; L563-R567 WeakPolarHBondContact O-CB 3.33Å; L563-R567 PolarHBondContact O-N 2.99Å; R567-N670 PolarHBondContact NH1-O 2.86Å; R567-N670 PolarHBondContact NH2-O 2.56Å; R567-A672 VanDerWaalsContact NH2-CB 3.29Å
568	G	97.3	Very high	96.8	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.031	16%	0.163	C	C	.	.	S	Bend	trans	-65.3	160	-174.4	0	0	0	0	0	114	L563 L564 R584 E585	L563-G568 PolarHBondContact O-N 3.23Å; L564-G568 WeakPolarHBondContact O-CA 3.33Å; L564-G568 PolarHBondContact O-N 3.14Å; G568-R584 PolarHBondContact O-NH2 3.15Å; G568-E585 CarbonylContact C-O 3.59Å; G568-E585 WeakPolarHBondContact CA-O 3.33Å
569	W	98.5	Very high	96.7	Very high	5 Å²	5	33 Å²	33	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	146.2	169.3	-68.7	90.1	0	0	0	111.3	R584 E585 D587 H657 C666 F667 V668 R671	W569-R584 VanDerWaalsContact O-CA 3.32Å; W569-R584 WeakPolarHBondContact O-CA 3.34Å; W569-R584 PolarHBondContact O-NE 2.88Å; W569-E585 HydrophobicContact CB-CB 4.24Å; W569-E585 PolarHBondContact N-O 3.38Å; W569-E585 PolarHBondContact O-N 3.25Å; W569-D587 PolarHBondContact NE1-OD2 3.32Å; W569-H657 AromaticContact CD1-CE1 3.78Å; W569-H657 AromaticContact CD1-ND1 3.84Å; W569-H657 HydrophobicContact CD2-CB 3.99Å; W569-H657 AromaticContact CD2-CG 3.83Å; W569-H657 AromaticContact CE2-CD2 3.57Å; W569-H657 AromaticContact CE2-CG 3.86Å; W569-H657 AromaticContact CE2-NE2 3.95Å; W569-H657 HydrophobicContact CE3-CB 4.01Å; W569-H657 HydrophobicContact CG-CB 4.38Å; W569-H657 AromaticContact CG-ND1 3.99Å; W569-H657 AromaticContact CZ2-CD2 3.81Å; W569-H657 AromaticContact NE1-CD2 3.64Å; W569-H657 AromaticContact NE1-CE1 3.72Å; W569-H657 AromaticContact NE1-CG 3.95Å; W569-H657 AromaticContact NE1-NE2 3.53Å; W569-C666 HydrophobicContact CE3-CB 4.14Å; W569-C666 HydrophobicContact CZ3-CB 4.46Å; W569-F667 WeakPolarHBondContact CA-O 3.22Å; W569-V668 HydrophobicContact CD2-CB 3.76Å; W569-V668 HydrophobicContact CD2-CG1 4.04Å; W569-V668 HydrophobicContact CD2-CG2 4.3Å; W569-V668 HydrophobicContact CE3-CB 3.62Å; W569-V668 HydrophobicContact CE3-CG1 3.78Å; W569-V668 HydrophobicContact CG-CB 4.31Å; W569-V668 HydrophobicContact CG-CG2 4.48Å; W569-V668 HydrophobicContact CH2-CB 4.19Å; W569-V668 HydrophobicContact CH2-CG1 3.39Å; W569-V668 HydrophobicContact CZ2-CB 4.36Å; W569-V668 HydrophobicContact CZ2-CG1 3.74Å; W569-V668 HydrophobicContact CZ3-CB 3.81Å; W569-V668 HydrophobicContact CZ3-CG1 3.41Å; W569-V668 VanDerWaalsContact CZ3-CG1 3.41Å; W569-R671 HydrophobicContact CZ2-CG 4.26Å
570	F	98.6	Very high	96.7	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.4	166.9	167	-102.7	0	0	0	108.3	I428 M432 L472 P473 H572 Y582 C666 F667	I428-F570 HydrophobicContact CG2-CE1 3.99Å; I428-F570 HydrophobicContact CG2-CZ 3.61Å; M432-F570 HydrophobicContact CE-CD1 4.29Å; M432-F570 HydrophobicContact CG-CD1 4.4Å; M432-F570 HydrophobicContact CG-CE1 4.2Å; L472-F570 HydrophobicContact CD2-CE2 3.85Å; L472-F570 HydrophobicContact CD2-CZ 4.24Å; P473-F570 HydrophobicContact CB-CB 4.1Å; P473-F570 HydrophobicContact CG-CB 3.64Å; P473-F570 HydrophobicContact CG-CD1 4.29Å; P473-F570 HydrophobicContact CG-CD2 4.32Å; P473-F570 HydrophobicContact CG-CG 3.84Å; F570-H572 HydrophobicContact CE1-CB 4.12Å; F570-H572 HydrophobicContact CZ-CB 3.86Å; F570-Y582 AromaticContact CD2-CD2 3.93Å; F570-Y582 HydrophobicContact CD2-CD2 3.93Å; F570-Y582 HydrophobicContact CD2-CG 4.19Å; F570-Y582 AromaticContact CE2-CD1 3.99Å; F570-Y582 HydrophobicContact CE2-CD1 3.99Å; F570-Y582 AromaticContact CE2-CD2 3.65Å; F570-Y582 HydrophobicContact CE2-CD2 3.65Å; F570-Y582 HydrophobicContact CE2-CE2 4.24Å; F570-Y582 AromaticContact CE2-CG 3.51Å; F570-Y582 HydrophobicContact CE2-CG 3.51Å; F570-Y582 HydrophobicContact CZ-CG 4.4Å; F570-C666 CarbonylContact O-C 3.45Å; F570-C666 VanDerWaalsContact O-CA 3.31Å; F570-C666 WeakPolarHBondContact O-CA 3.25Å; F570-F667 AromaticContact CD1-CD2 3.95Å; F570-F667 HydrophobicContact CD1-CD2 3.95Å; F570-F667 HydrophobicContact CE1-CD2 4.38Å; F570-F667 PolarHBondContact N-O 3.29Å; F570-F667 PolarHBondContact O-N 3.26Å
571	C	98.4	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.2	177.1	-67.8	0	0	0	0	109.7	Y582 T583 L656 R665 C666	C571-Y582 CarbonylContact O-C 3.2Å; C571-Y582 WeakPolarHBondContact O-CA 3.15Å; C571-Y582 WeakPolarHBondContact O-CB 3.29Å; C571-T583 WeakPolarHBondContact CB-OG1 3.44Å; C571-T583 PolarHBondContact N-O 2.58Å; C571-T583 VanDerWaalsContact N-O 3.08Å; C571-T583 PolarHBondContact O-N 2.89Å; C571-T583 PolarHBondContact O-OG1 3.21Å; C571-L656 HydrophobicContact CB-CB 4.27Å; C571-L656 HydrophobicContact CB-CD1 4.37Å; C571-R665 WeakPolarHBondContact CA-O 3.28Å; C571-C666 HydrophobicContact CB-CB 4.22Å; C571-C666 WeakPolarHBondContact CB-SG 3.33Å; C571-C666 WeakPolarHBondContact SG-CB 3.31Å; C571-C666 CovalentContact SG-SG 2.04Å; C571-C666 PolarHBondContact SG-SG 3.1Å
572	H	96.7	Very high	96.8	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.032	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	152.8	178.2	69.2	92.8	0	0	0	112	Y425 F570 R665 F667	Y425-H572 AromaticContact CE2-ND1 3.49Å; Y425-H572 WeakPolarHBondContact CE2-ND1 3.1Å; Y425-H572 AromaticContact CZ-CE1 3.88Å; Y425-H572 AromaticContact CZ-ND1 3.6Å; Y425-H572 PolarHBondContact OH-CE1 3.03Å; Y425-H572 PolarHBondContact OH-ND1 2.76Å; Y425-H572 VanDerWaalsContact OH-ND1 3.09Å; F570-H572 HydrophobicContact CE1-CB 4.12Å; F570-H572 HydrophobicContact CZ-CB 3.86Å; H572-R665 PolarHBondContact CD2-O 3.29Å; H572-R665 PolarHBondContact N-O 3.17Å; H572-R665 WeakPolarHBondContact NE2-CB 3.4Å; H572-F667 AromaticContact CD2-CE2 3.81Å; H572-F667 AromaticContact NE2-CE2 3.81Å
573	L	94.8	Very high	96.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.125	C	C	.	.			trans	-96.8	-160.2	175.5	-57.2	-176.6	0	0	0	110.5	Y425 V581 M610 I611 L656 F662	Y425-L573 WeakPolarHBondContact CE2-O 3.42Å; L573-V581 WeakPolarHBondContact CB-O 3.42Å; L573-V581 HydrophobicContact CD1-CB 4.08Å; L573-V581 HydrophobicContact CD1-CG1 3.55Å; L573-V581 HydrophobicContact CG-CG1 4.36Å; L573-V581 PolarHBondContact N-O 3.43Å; L573-M610 HydrophobicContact CB-CE 3.93Å; L573-M610 HydrophobicContact CD1-CB 3.82Å; L573-M610 HydrophobicContact CD1-CE 4.25Å; L573-I611 HydrophobicContact CD1-CD1 3.95Å; L573-I611 HydrophobicContact CD1-CG1 3.66Å; L573-L656 HydrophobicContact CD2-CD1 3.79Å; L573-F662 HydrophobicContact CD2-CD1 4.28Å; L573-F662 HydrophobicContact CD2-CE1 3.88Å
574	R	90.1	Very high	96.9	Very high	156 Å²	156	23.1 Å²	23.1	59%	0.589	11%	0.111	S	C	*	.			trans	-73.4	145.5	-175.9	-37.8	-178.8	-162.9	179.4	7.6	109.4	N609	R574-N609 PolarHBondContact NH2-O 3.15Å
575	N	92.9	Very high	96.9	Very high	64 Å²	64	23.1 Å²	23.1	34%	0.342	11%	0.111	S	C	.	.			trans	-61.2	141.5	171.5	-169.3	3.2	0	0	0	110.8	N422 Y425	N422-N575 WeakPolarHBondContact CA-OD1 3.47Å; N422-N575 PolarHBondContact ND2-ND2 2.74Å; N422-N575 VanDerWaalsContact ND2-ND2 3.17Å; N422-N575 PolarHBondContact ND2-OD1 3Å; Y425-N575 HydrophobicContact CD1-CB 3.78Å; Y425-N575 HydrophobicContact CD2-CB 4.12Å; Y425-N575 HydrophobicContact CE1-CB 3.81Å; Y425-N575 HydrophobicContact CE2-CB 4.13Å; Y425-N575 HydrophobicContact CG-CB 3.94Å
576	D	96	Very high	96.8	Very high	41 Å²	41	23.2 Å²	23.2	22%	0.219	11%	0.112	C	C	.	.			trans	-143.3	151.2	175.5	-168.2	-73.8	0	0	0	109	G421 N422 H578 Y579	G421-D576 CarbonylContact C-O 3.43Å; G421-D576 VanDerWaalsContact CA-O 3.29Å; G421-D576 WeakPolarHBondContact CA-O 3.47Å; N422-D576 PolarHBondContact N-O 3.17Å; D576-H578 VanDerWaalsContact C-N 3.32Å; D576-H578 PolarHBondContact O-N 3.44Å; D576-H578 PolarHBondContact OD1-N 3.25Å; D576-H578 IonicContact OD1-ND1 3.61Å; D576-Y579 HydrophobicContact CB-CD2 3.74Å; D576-Y579 HydrophobicContact CB-CE2 3.43Å; D576-Y579 VanDerWaalsContact CB-CE2 3.43Å; D576-Y579 HydrophobicContact CB-CG 4.46Å; D576-Y579 WeakPolarHBondContact OD2-CE2 3.34Å; D576-Y579 PolarHBondContact OD2-OH 2.9Å
577	S	95.9	Very high	96.9	Very high	59 Å²	59	22.9 Å²	22.9	41%	0.413	11%	0.11	S	C	.	.	S	Bend	trans	-72.5	-24.8	-178.8	62.8	0	0	0	0	113.7	G421 N422	G421-S577 PolarHBondContact N-O 3.39Å; N422-S577 VanDerWaalsContact OD1-CA 3.25Å; N422-S577 WeakPolarHBondContact OD1-CA 3.34Å; N422-S577 WeakPolarHBondContact OD1-CB 3.36Å
578	H	96.1	Very high	96.9	Very high	66 Å²	66	24 Å²	24	31%	0.306	13%	0.126	S	C	.	.	S	Bend	trans	-97.6	-51.2	-176.9	-61.8	80.9	0	0	0	111.8	D576 N598 F599 G600 T603	D576-H578 VanDerWaalsContact C-N 3.32Å; D576-H578 PolarHBondContact O-N 3.44Å; D576-H578 PolarHBondContact OD1-N 3.25Å; D576-H578 IonicContact OD1-ND1 3.61Å; H578-N598 PolarHBondContact O-OD1 3.01Å; H578-N598 VanDerWaalsContact O-OD1 3.12Å; H578-F599 PolarHBondContact O-N 2.98Å; H578-G600 PolarHBondContact O-N 3.32Å; H578-T603 HydrophobicContact CB-CG2 4.06Å
579	Y	96.6	Very high	96.9	Very high	35 Å²	35	24.9 Å²	24.9	14%	0.137	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.4	-168.1	48.2	-106.6	0	0	0	114	D576 V581 L597 T603 L605 M610	D576-Y579 HydrophobicContact CB-CD2 3.74Å; D576-Y579 HydrophobicContact CB-CE2 3.43Å; D576-Y579 VanDerWaalsContact CB-CE2 3.43Å; D576-Y579 HydrophobicContact CB-CG 4.46Å; D576-Y579 WeakPolarHBondContact OD2-CE2 3.34Å; D576-Y579 PolarHBondContact OD2-OH 2.9Å; Y579-V581 HydrophobicContact CD2-CG2 3.83Å; Y579-V581 HydrophobicContact CE2-CG2 4.49Å; Y579-L597 CarbonylContact C-O 3.59Å; Y579-L597 WeakPolarHBondContact CA-O 3.32Å; Y579-L597 VanDerWaalsContact CB-O 3.32Å; Y579-L597 WeakPolarHBondContact CB-O 3.45Å; Y579-T603 HydrophobicContact CD1-CG2 4.06Å; Y579-T603 HydrophobicContact CE1-CG2 4.48Å; Y579-L605 HydrophobicContact CD1-CD1 4.3Å; Y579-L605 HydrophobicContact CD2-CD1 4.24Å; Y579-L605 HydrophobicContact CE1-CB 4.37Å; Y579-L605 HydrophobicContact CE1-CD1 3.77Å; Y579-L605 HydrophobicContact CE2-CD1 3.71Å; Y579-L605 VanDerWaalsContact CZ-CD1 3.47Å; Y579-M610 HydrophobicContact CE2-CE 4.18Å; Y579-M610 HydrophobicContact CE2-SD 4.14Å
580	V	98.4	Very high	96.7	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.9	168.3	176.6	0	0	0	0	108	G421 V424 I428 Y582 L597 F599	G421-V580 WeakPolarHBondContact O-CG2 3.36Å; V424-V580 HydrophobicContact CB-CG2 4.1Å; V424-V580 HydrophobicContact CG1-CG2 4.03Å; I428-V580 HydrophobicContact CD1-CG1 4.36Å; V580-Y582 HydrophobicContact CG1-CD1 3.86Å; V580-Y582 HydrophobicContact CG1-CE1 4.05Å; V580-L597 PolarHBondContact N-O 3.16Å; V580-L597 PolarHBondContact O-N 2.95Å; V580-F599 HydrophobicContact CB-CD2 4.37Å; V580-F599 HydrophobicContact CB-CE2 4.05Å; V580-F599 HydrophobicContact CG2-CD2 3.9Å; V580-F599 HydrophobicContact CG2-CE2 3.9Å
581	V	98.4	Very high	96.6	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.6	179.3	-173.2	0	0	0	0	110.4	L573 Y579 I594 V595 V596 L605 L607 M610	L573-V581 WeakPolarHBondContact CB-O 3.42Å; L573-V581 HydrophobicContact CD1-CB 4.08Å; L573-V581 HydrophobicContact CD1-CG1 3.55Å; L573-V581 HydrophobicContact CG-CG1 4.36Å; L573-V581 PolarHBondContact N-O 3.43Å; Y579-V581 HydrophobicContact CD2-CG2 3.83Å; Y579-V581 HydrophobicContact CE2-CG2 4.49Å; V581-I594 HydrophobicContact CG1-CG2 4.13Å; V581-V595 WeakPolarHBondContact CA-O 3.36Å; V581-V596 HydrophobicContact CG1-CG2 4.16Å; V581-V596 HydrophobicContact CG2-CG1 4.24Å; V581-V596 HydrophobicContact CG2-CG2 4.25Å; V581-L605 HydrophobicContact CG2-CD2 4.29Å; V581-L607 HydrophobicContact CG1-CD1 4.07Å; V581-M610 HydrophobicContact CB-CE 4.25Å; V581-M610 HydrophobicContact CB-SD 4.39Å; V581-M610 HydrophobicContact CG2-CE 4.31Å; V581-M610 HydrophobicContact CG2-SD 4.1Å
582	Y	98.7	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	169.3	175.2	53.5	-94.5	0	0	0	111.3	L468 T471 L472 F570 C571 V580 V595 L597	L468-Y582 HydrophobicContact CD1-CE1 4.21Å; T471-Y582 PolarHBondContact OG1-OH 3.39Å; L472-Y582 HydrophobicContact CD2-CE1 4.42Å; F570-Y582 AromaticContact CD2-CD2 3.93Å; F570-Y582 HydrophobicContact CD2-CD2 3.93Å; F570-Y582 HydrophobicContact CD2-CG 4.19Å; F570-Y582 AromaticContact CE2-CD1 3.99Å; F570-Y582 HydrophobicContact CE2-CD1 3.99Å; F570-Y582 AromaticContact CE2-CD2 3.65Å; F570-Y582 HydrophobicContact CE2-CD2 3.65Å; F570-Y582 HydrophobicContact CE2-CE2 4.24Å; F570-Y582 AromaticContact CE2-CG 3.51Å; F570-Y582 HydrophobicContact CE2-CG 3.51Å; F570-Y582 HydrophobicContact CZ-CG 4.4Å; C571-Y582 CarbonylContact O-C 3.2Å; C571-Y582 WeakPolarHBondContact O-CA 3.15Å; C571-Y582 WeakPolarHBondContact O-CB 3.29Å; V580-Y582 HydrophobicContact CG1-CD1 3.86Å; V580-Y582 HydrophobicContact CG1-CE1 4.05Å; Y582-V595 HydrophobicContact CD2-CB 3.9Å; Y582-V595 HydrophobicContact CD2-CG2 4.09Å; Y582-V595 HydrophobicContact CE1-CB 4.33Å; Y582-V595 HydrophobicContact CE1-CG1 4.24Å; Y582-V595 HydrophobicContact CE2-CB 3.51Å; Y582-V595 HydrophobicContact CE2-CG1 3.89Å; Y582-V595 HydrophobicContact CE2-CG2 3.62Å; Y582-V595 HydrophobicContact CG-CB 4.46Å; Y582-V595 PolarHBondContact N-O 2.89Å; Y582-V595 VanDerWaalsContact N-O 3.15Å; Y582-V595 PolarHBondContact O-N 3.25Å; Y582-L597 HydrophobicContact CE1-CD1 4.09Å
583	T	98.6	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.7	179.2	61	0	0	0	0	111.6	C571 I592 F593 I594 I611 L656	C571-T583 WeakPolarHBondContact CB-OG1 3.44Å; C571-T583 PolarHBondContact N-O 2.58Å; C571-T583 VanDerWaalsContact N-O 3.08Å; C571-T583 PolarHBondContact O-N 2.89Å; C571-T583 PolarHBondContact O-OG1 3.21Å; T583-I592 HydrophobicContact CG2-CD1 4.35Å; T583-F593 CarbonylContact C-O 3.42Å; T583-F593 WeakPolarHBondContact CA-O 3.44Å; T583-I594 HydrophobicContact CG2-CG1 4.09Å; T583-I594 HydrophobicContact CG2-CG2 4.42Å; T583-I611 HydrophobicContact CG2-CD1 4.02Å; T583-L656 HydrophobicContact CG2-CD1 3.88Å
584	R	98.7	Very high	96.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119	171.9	-56.2	-58.3	-55.4	-80.1	-0.8	109.2	T471 L472 L564 L565 G568 W569 F593	T471-R584 WeakPolarHBondContact O-CD 3.37Å; T471-R584 PolarHBondContact O-NH1 3.24Å; L472-R584 PolarHBondContact O-NH1 3.4Å; L564-R584 HydrophobicContact CB-CB 4.46Å; L564-R584 PolarHBondContact O-NH2 2.95Å; L565-R584 HydrophobicContact CD2-CB 4.16Å; L565-R584 HydrophobicContact CD2-CG 3.83Å; L565-R584 VanDerWaalsContact O-CZ 3.23Å; L565-R584 PolarHBondContact O-NH1 3.41Å; L565-R584 PolarHBondContact O-NH2 3.02Å; G568-R584 PolarHBondContact O-NH2 3.15Å; W569-R584 VanDerWaalsContact O-CA 3.32Å; W569-R584 WeakPolarHBondContact O-CA 3.34Å; W569-R584 PolarHBondContact O-NE 2.88Å; R584-F593 HydrophobicContact CB-CB 4.29Å; R584-F593 PolarHBondContact N-O 2.63Å; R584-F593 PolarHBondContact O-N 3.05Å; R584-F593 VanDerWaalsContact O-N 3.14Å
585	E	98.3	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.8	-167.4	-48.5	-173.9	147.9	0	0	112	G568 W569 I592 L655 L656 H657	G568-E585 CarbonylContact C-O 3.59Å; G568-E585 WeakPolarHBondContact CA-O 3.33Å; W569-E585 HydrophobicContact CB-CB 4.24Å; W569-E585 PolarHBondContact N-O 3.38Å; W569-E585 PolarHBondContact O-N 3.25Å; E585-I592 HydrophobicContact CB-CG2 4.27Å; E585-I592 HydrophobicContact CG-CB 4.39Å; E585-I592 HydrophobicContact CG-CG2 3.86Å; E585-L655 HydrophobicContact CB-CD2 4.37Å; E585-L655 WeakPolarHBondContact OE2-CB 3.47Å; E585-L656 VanDerWaalsContact CD-N 3.29Å; E585-L656 WeakPolarHBondContact OE1-CB 3.37Å; E585-L656 WeakPolarHBondContact OE1-CG 3.46Å; E585-L656 PolarHBondContact OE1-N 3.26Å; E585-L656 PolarHBondContact OE2-N 3.07Å; E585-H657 IonicContact OE2-CE1 2.82Å; E585-H657 IonicContact OE2-CG 2.99Å; E585-H657 PolarHBondContact OE2-N 2.76Å; E585-H657 IonicContact OE2-ND1 3.82Å; E585-H657 PolarHBondContact OE2-ND1 3.32Å
586	L	98	Very high	97.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	12%	0.115	C	C	.	.			trans	-147.9	127.7	170.3	-172.1	65.7	0	0	0	110.1	L563 L564 G588 I589 A672 L681	L563-L586 HydrophobicContact CB-CD2 4.06Å; L564-L586 HydrophobicContact CD2-CB 3.66Å; L586-G588 PolarHBondContact O-N 2.73Å; L586-I589 HydrophobicContact CB-CD1 4.3Å; L586-I589 HydrophobicContact CD2-CD1 3.79Å; L586-I589 HydrophobicContact CD2-CG1 4.38Å; L586-I589 HydrophobicContact CG-CD1 4.49Å; L586-I589 PolarHBondContact O-N 2.89Å; L586-I589 VanDerWaalsContact O-N 3.13Å; L586-A672 VanDerWaalsContact CD1-O 3.26Å; L586-A672 WeakPolarHBondContact CD1-O 3.46Å; L586-L681 HydrophobicContact CD2-CD2 4.37Å
587	D	97.6	Very high	97.7	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.064	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.5	175.7	-69.2	-89.6	0	0	0	111.5	W569 I589 H657 R658 C673 Y674	W569-D587 PolarHBondContact NE1-OD2 3.32Å; D587-I589 VanDerWaalsContact C-N 3.34Å; D587-H657 IonicContact OD1-CE1 2.75Å; D587-H657 IonicContact OD1-NE2 3.83Å; D587-H657 PolarHBondContact OD1-NE2 2.8Å; D587-H657 IonicContact OD2-CE1 3.55Å; D587-H657 IonicContact OD2-NE2 3.65Å; D587-H657 PolarHBondContact OD2-NE2 3.04Å; D587-R658 IonicContact OD1-CZ 3.21Å; D587-R658 IonicContact OD1-NE 2.83Å; D587-R658 PolarHBondContact OD1-NE 2.87Å; D587-R658 IonicContact OD1-NH2 2.77Å; D587-R658 PolarHBondContact OD1-NH2 2.81Å; D587-R658 IonicContact OD2-NH2 3.97Å; D587-C673 HydrophobicContact CB-CB 4.06Å; D587-C673 WeakPolarHBondContact CB-SG 3.21Å; D587-Y674 PolarHBondContact O-N 2.81Å
588	G	95.9	Very high	97.8	Very high	38 Å²	38	16 Å²	16	39%	0.392	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-7.1	180	0	0	0	0	0	115.2	L586 Y674	L586-G588 PolarHBondContact O-N 2.73Å; G588-Y674 WeakPolarHBondContact CA-O 3.4Å
589	I	97	Very high	97.9	Very high	22 Å²	22	12.8 Å²	12.8	11%	0.113	7%	0.07	C	C	.	.			trans	-100.3	115.1	165.7	-60.8	-174.4	0	0	0	108.1	L563 L564 L586 D587 R591 Y674	L563-I589 HydrophobicContact CB-CD1 4.25Å; L564-I589 HydrophobicContact CD2-CB 4.4Å; L564-I589 HydrophobicContact CD2-CD1 4.35Å; L564-I589 HydrophobicContact CD2-CG2 4.27Å; L586-I589 HydrophobicContact CB-CD1 4.3Å; L586-I589 HydrophobicContact CD2-CD1 3.79Å; L586-I589 HydrophobicContact CD2-CG1 4.38Å; L586-I589 HydrophobicContact CG-CD1 4.49Å; L586-I589 PolarHBondContact O-N 2.89Å; L586-I589 VanDerWaalsContact O-N 3.13Å; D587-I589 VanDerWaalsContact C-N 3.34Å; I589-R591 HydrophobicContact CG2-CG 3.52Å; I589-R591 PolarHBondContact O-N 3.04Å; I589-Y674 HydrophobicContact CD1-CD1 4.43Å; I589-Y674 HydrophobicContact CG1-CD1 3.69Å; I589-Y674 HydrophobicContact CG1-CE1 4.47Å; I589-Y674 HydrophobicContact CG1-CG 4.09Å
590	D	95.8	Very high	97.9	Very high	84 Å²	84	11.9 Å²	11.9	45%	0.449	7%	0.071	S	C	.	.	S	Bend	trans	-78.8	36.2	-177.5	-70.3	-18.2	0	0	0	112.9	N651 T652 K653	D590-N651 WeakPolarHBondContact O-CA 3.49Å; D590-T652 CarbonylContact C-O 3.57Å; D590-T652 WeakPolarHBondContact CA-O 3.13Å; D590-T652 PolarHBondContact O-N 2.97Å; D590-T652 VanDerWaalsContact O-N 3.12Å; D590-K653 HydrophobicContact CB-CG 4.38Å; D590-K653 VanDerWaalsContact CG-CE 3.49Å; D590-K653 IonicContact OD1-NZ 3.87Å; D590-K653 WeakPolarHBondContact OD2-CE 3.26Å; D590-K653 IonicContact OD2-NZ 3.33Å; D590-K653 PolarHBondContact OD2-NZ 2.76Å
591	R	96.8	Very high	97.8	Very high	61 Å²	61	17.1 Å²	17.1	23%	0.23	10%	0.096	C	C	.	.			trans	-150.7	152.6	173.7	61.7	164.9	176.5	144.2	5.8	111.5	E562 L564 I589 E649 H650 N651	E562-R591 IonicContact OE1-CZ 3.63Å; E562-R591 IonicContact OE1-NH1 3.37Å; E562-R591 PolarHBondContact OE1-NH1 3.02Å; E562-R591 IonicContact OE1-NH2 3.76Å; E562-R591 PolarHBondContact OE1-NH2 2.89Å; E562-R591 IonicContact OE2-CZ 2.75Å; E562-R591 VanDerWaalsContact OE2-CZ 3.29Å; E562-R591 IonicContact OE2-NH1 2.62Å; E562-R591 PolarHBondContact OE2-NH1 2.86Å; E562-R591 IonicContact OE2-NH2 2.84Å; E562-R591 PolarHBondContact OE2-NH2 3.3Å; L564-R591 HydrophobicContact CD1-CG 4.21Å; I589-R591 HydrophobicContact CG2-CG 3.52Å; I589-R591 PolarHBondContact O-N 3.04Å; R591-E649 IonicContact NH1-OE2 3.89Å; R591-E649 PolarHBondContact NH1-OE2 3.3Å; R591-H650 CarbonylContact C-O 3.52Å; R591-H650 WeakPolarHBondContact CA-O 3.44Å; R591-N651 WeakPolarHBondContact CB-OD1 3.22Å
592	I	97.9	Very high	97.8	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	157	175.9	67.9	173.5	0	0	0	110.6	T583 E585 I594 H650 T652 L655	T583-I592 HydrophobicContact CG2-CD1 4.35Å; E585-I592 HydrophobicContact CB-CG2 4.27Å; E585-I592 HydrophobicContact CG-CB 4.39Å; E585-I592 HydrophobicContact CG-CG2 3.86Å; I592-I594 HydrophobicContact CD1-CD1 4.28Å; I592-I594 HydrophobicContact CD1-CG1 3.91Å; I592-I594 HydrophobicContact CG1-CG1 4.2Å; I592-H650 HydrophobicContact CG1-CB 4.08Å; I592-H650 PolarHBondContact N-O 3.08Å; I592-H650 PolarHBondContact O-N 2.76Å; I592-H650 VanDerWaalsContact O-N 3.07Å; I592-T652 HydrophobicContact CD1-CG2 3.92Å; I592-T652 HydrophobicContact CG1-CG2 3.91Å; I592-T652 HydrophobicContact CG2-CG2 4Å; I592-L655 HydrophobicContact CG2-CD2 3.61Å
593	F	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.4	160.8	-67.9	-53	0	0	0	110.1	E562 L564 L565 T583 R584 R621 I647 L648 E649	E562-F593 HydrophobicContact CB-CE2 4.03Å; E562-F593 HydrophobicContact CG-CE2 3.9Å; E562-F593 HydrophobicContact CG-CZ 4.04Å; L564-F593 HydrophobicContact CB-CD2 3.87Å; L564-F593 HydrophobicContact CB-CE2 4.08Å; L564-F593 HydrophobicContact CD1-CD2 3.85Å; L564-F593 HydrophobicContact CD1-CE2 3.89Å; L564-F593 HydrophobicContact CD1-CG 4.45Å; L565-F593 HydrophobicContact CD1-CE2 4.42Å; L565-F593 HydrophobicContact CD2-CD2 3.77Å; L565-F593 HydrophobicContact CD2-CE2 4.38Å; L565-F593 HydrophobicContact CG-CD2 3.96Å; L565-F593 HydrophobicContact CG-CE2 4.06Å; T583-F593 CarbonylContact C-O 3.42Å; T583-F593 WeakPolarHBondContact CA-O 3.44Å; R584-F593 HydrophobicContact CB-CB 4.29Å; R584-F593 PolarHBondContact N-O 2.63Å; R584-F593 PolarHBondContact O-N 3.05Å; R584-F593 VanDerWaalsContact O-N 3.14Å; F593-R621 HydrophobicContact CE1-CB 4.4Å; F593-R621 HydrophobicContact CE1-CG 3.94Å; F593-I647 HydrophobicContact CB-CG2 4.23Å; F593-I647 HydrophobicContact CD1-CG2 3.87Å; F593-I647 HydrophobicContact CG-CG2 4.14Å; F593-L648 WeakPolarHBondContact CA-O 3.46Å; F593-E649 HydrophobicContact CD1-CB 4.3Å; F593-E649 HydrophobicContact CE1-CB 4.15Å; F593-E649 HydrophobicContact CE1-CG 4.17Å
594	I	98.6	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.6	169.8	-51.6	163.7	0	0	0	106.4	V581 T583 I592 V596 L607 I611 L614 L648 H650	V581-I594 HydrophobicContact CG1-CG2 4.13Å; T583-I594 HydrophobicContact CG2-CG1 4.09Å; T583-I594 HydrophobicContact CG2-CG2 4.42Å; I592-I594 HydrophobicContact CD1-CD1 4.28Å; I592-I594 HydrophobicContact CD1-CG1 3.91Å; I592-I594 HydrophobicContact CG1-CG1 4.2Å; I594-V596 HydrophobicContact CG2-CG2 4.31Å; I594-L607 HydrophobicContact CD1-CD2 4.41Å; I594-L607 HydrophobicContact CG2-CD1 4.37Å; I594-L607 HydrophobicContact CG2-CD2 4.26Å; I594-I611 HydrophobicContact CD1-CD1 3.95Å; I594-I611 HydrophobicContact CG1-CD1 4.11Å; I594-I611 HydrophobicContact CG2-CD1 3.86Å; I594-L614 HydrophobicContact CD1-CD2 3.71Å; I594-L648 HydrophobicContact CB-CB 4.24Å; I594-L648 PolarHBondContact N-O 3.45Å; I594-L648 PolarHBondContact O-N 2.83Å; I594-H650 HydrophobicContact CD1-CB 4.04Å
595	V	98.8	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.2	-178.6	-173.7	0	0	0	0	108.2	T471 V581 Y582 L597	T471-V595 HydrophobicContact CG2-CG2 4.2Å; V581-V595 WeakPolarHBondContact CA-O 3.36Å; Y582-V595 HydrophobicContact CD2-CB 3.9Å; Y582-V595 HydrophobicContact CD2-CG2 4.09Å; Y582-V595 HydrophobicContact CE1-CB 4.33Å; Y582-V595 HydrophobicContact CE1-CG1 4.24Å; Y582-V595 HydrophobicContact CE2-CB 3.51Å; Y582-V595 HydrophobicContact CE2-CG1 3.89Å; Y582-V595 HydrophobicContact CE2-CG2 3.62Å; Y582-V595 HydrophobicContact CG-CB 4.46Å; Y582-V595 PolarHBondContact N-O 2.89Å; Y582-V595 VanDerWaalsContact N-O 3.15Å; Y582-V595 PolarHBondContact O-N 3.25Å; V595-L597 HydrophobicContact CG1-CD1 4.2Å; V595-L597 HydrophobicContact CG1-CD2 3.79Å; V595-L597 HydrophobicContact CG1-CG 3.87Å
596	V	98.6	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.7	-178.6	179.5	0	0	0	0	107.8	V581 I594 L605 L607 L640 G645 L646 L648	V581-V596 HydrophobicContact CG1-CG2 4.16Å; V581-V596 HydrophobicContact CG2-CG1 4.24Å; V581-V596 HydrophobicContact CG2-CG2 4.25Å; I594-V596 HydrophobicContact CG2-CG2 4.31Å; V596-L605 HydrophobicContact CB-CD2 4.48Å; V596-L605 HydrophobicContact CG1-CD2 3.45Å; V596-L605 VanDerWaalsContact CG1-CD2 3.45Å; V596-L605 HydrophobicContact CG2-CD2 4.16Å; V596-L607 HydrophobicContact CG2-CD1 4.38Å; V596-L640 HydrophobicContact CG1-CD1 3.59Å; V596-L640 HydrophobicContact CG1-CD2 4.2Å; V596-G645 CarbonylContact O-C 3.59Å; V596-G645 WeakPolarHBondContact O-CA 3.48Å; V596-L646 PolarHBondContact N-O 2.96Å; V596-L646 PolarHBondContact O-N 3.26Å; V596-L648 HydrophobicContact CG2-CD1 4.36Å
597	L	98.7	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.6	-175.6	-52.7	174.6	0	0	0	109.4	V464 M467 L468 Y579 V580 Y582 V595 F599	V464-L597 HydrophobicContact CG2-CB 3.86Å; V464-L597 HydrophobicContact CG2-CD2 3.8Å; V464-L597 HydrophobicContact CG2-CG 4.32Å; M467-L597 HydrophobicContact CB-CD2 4.3Å; M467-L597 HydrophobicContact CG-CD2 3.88Å; M467-L597 HydrophobicContact SD-CD2 3.73Å; L468-L597 HydrophobicContact CB-CD1 3.83Å; L468-L597 HydrophobicContact CD1-CD1 3.52Å; L468-L597 HydrophobicContact CG-CD1 4.26Å; Y579-L597 CarbonylContact C-O 3.59Å; Y579-L597 WeakPolarHBondContact CA-O 3.32Å; Y579-L597 VanDerWaalsContact CB-O 3.32Å; Y579-L597 WeakPolarHBondContact CB-O 3.45Å; V580-L597 PolarHBondContact N-O 3.16Å; V580-L597 PolarHBondContact O-N 2.95Å; Y582-L597 HydrophobicContact CE1-CD1 4.09Å; V595-L597 HydrophobicContact CG1-CD1 4.2Å; V595-L597 HydrophobicContact CG1-CD2 3.79Å; V595-L597 HydrophobicContact CG1-CG 3.87Å; L597-F599 HydrophobicContact CB-CD2 4.32Å; L597-F599 HydrophobicContact CB-CE2 3.59Å; L597-F599 HydrophobicContact CB-CZ 3.88Å; L597-F599 HydrophobicContact CD1-CE2 4.14Å; L597-F599 HydrophobicContact CD1-CZ 4.01Å
598	N	98.5	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116	174.9	-172.5	25.4	0	0	0	110.7	H578 G600 E601 L640 D641 G643 E644	H578-N598 PolarHBondContact O-OD1 3.01Å; H578-N598 VanDerWaalsContact O-OD1 3.12Å; N598-G600 PolarHBondContact OD1-N 3.43Å; N598-E601 PolarHBondContact ND2-O 3.31Å; N598-L640 HydrophobicContact CB-CB 3.98Å; N598-L640 HydrophobicContact CB-CD1 4.35Å; N598-L640 PolarHBondContact ND2-O 3.18Å; N598-D641 PolarHBondContact ND2-O 3.21Å; N598-G643 WeakPolarHBondContact O-CA 3.34Å; N598-G643 PolarHBondContact O-N 3.4Å; N598-E644 PolarHBondContact N-O 3.22Å
599	F	98.2	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.			trans	-103.5	-14.6	175.8	-66.1	-69.3	0	0	0	112.9	V419 V424 Y461 V464 M465 L468 H578 V580 L597	V419-F599 HydrophobicContact CG1-CD1 4.47Å; V419-F599 HydrophobicContact CG2-CB 4.1Å; V419-F599 HydrophobicContact CG2-CD1 3.51Å; V419-F599 HydrophobicContact CG2-CE1 4.2Å; V419-F599 HydrophobicContact CG2-CG 3.97Å; V424-F599 HydrophobicContact CB-CD2 4.15Å; V424-F599 HydrophobicContact CB-CE2 4.07Å; V424-F599 HydrophobicContact CG1-CD2 4.29Å; V424-F599 HydrophobicContact CG1-CE2 3.71Å; V424-F599 HydrophobicContact CG1-CZ 4.02Å; V424-F599 HydrophobicContact CG2-CD1 4.19Å; V424-F599 HydrophobicContact CG2-CD2 3.99Å; V424-F599 HydrophobicContact CG2-CE1 4.26Å; V424-F599 HydrophobicContact CG2-CE2 4.05Å; V424-F599 HydrophobicContact CG2-CG 4.06Å; V424-F599 HydrophobicContact CG2-CZ 4.19Å; Y461-F599 HydrophobicContact CD1-CD1 4.42Å; Y461-F599 WeakPolarHBondContact CE1-O 3.46Å; Y461-F599 PolarHBondContact OH-O 3.03Å; V464-F599 HydrophobicContact CG1-CD1 4.37Å; V464-F599 HydrophobicContact CG1-CE1 4Å; V464-F599 HydrophobicContact CG2-CE1 4.1Å; V464-F599 HydrophobicContact CG2-CZ 4.27Å; M465-F599 HydrophobicContact SD-CE1 3.68Å; M465-F599 HydrophobicContact SD-CZ 4.39Å; L468-F599 HydrophobicContact CD2-CZ 4.12Å; H578-F599 PolarHBondContact O-N 2.98Å; V580-F599 HydrophobicContact CB-CD2 4.37Å; V580-F599 HydrophobicContact CB-CE2 4.05Å; V580-F599 HydrophobicContact CG2-CD2 3.9Å; V580-F599 HydrophobicContact CG2-CE2 3.9Å; L597-F599 HydrophobicContact CB-CD2 4.32Å; L597-F599 HydrophobicContact CB-CE2 3.59Å; L597-F599 HydrophobicContact CB-CZ 3.88Å; L597-F599 HydrophobicContact CD1-CE2 4.14Å; L597-F599 HydrophobicContact CD1-CZ 4.01Å
600	G	96.4	Very high	96.8	Very high	15 Å²	15	36.4 Å²	36.4	16%	0.155	19%	0.192	C	C	.	.	S	Bend	trans	-88.4	-161.5	172.7	0	0	0	0	0	113.1	H578 N598 K642	H578-G600 PolarHBondContact O-N 3.32Å; N598-G600 PolarHBondContact OD1-N 3.43Å; G600-K642 WeakPolarHBondContact O-CG 3.13Å
601	E	96.6	Very high	96.5	Very high	117 Å²	117	33 Å²	33	55%	0.547	17%	0.173	S	C	.	.	S	Bend	trans	-72.9	173.1	172.5	-64	-59.5	147.7	0	0	112	N598 T603 K642	N598-E601 PolarHBondContact ND2-O 3.31Å; E601-T603 PolarHBondContact O-N 3.47Å; E601-K642 IonicContact OE1-NZ 3.59Å
602	S	97.6	Very high	96.2	Very high	61 Å²	61	34.2 Å²	34.2	43%	0.427	19%	0.191	S	C	.	.	S	Bend	trans	-56.6	132.1	179.2	-60.2	0	0	0	0	111.8	L640 D641 K642	S602-L640 CarbonylContact C-O 3.6Å; S602-L640 WeakPolarHBondContact CA-O 3.44Å; S602-D641 PolarHBondContact OG-OD1 2.73Å; S602-K642 PolarHBondContact OG-N 3.28Å
603	T	97.9	Very high	95.7	Very high	30 Å²	30	37.3 Å²	37.3	18%	0.184	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	168.6	-172.5	-166.6	0	0	0	0	112.4	H578 Y579 E601 L640	H578-T603 HydrophobicContact CB-CG2 4.06Å; Y579-T603 HydrophobicContact CD1-CG2 4.06Å; Y579-T603 HydrophobicContact CE1-CG2 4.48Å; E601-T603 PolarHBondContact O-N 3.47Å; T603-L640 HydrophobicContact CG2-CB 4.44Å; T603-L640 PolarHBondContact N-O 3.04Å; T603-L640 PolarHBondContact O-N 3.11Å
604	L	97.3	Very high	95.4	Very high	113 Å²	113	38.2 Å²	38.2	59%	0.592	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.5	175.5	-172.2	75.6	0	0	0	109.8	F639	L604-F639 HydrophobicContact CD1-CB 4.31Å
605	L	96.6	Very high	95.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130	178.7	172.2	65.3	0	0	0	111.2	Y579 V581 V596 L607 M610 G637 I638 L640	Y579-L605 HydrophobicContact CD1-CD1 4.3Å; Y579-L605 HydrophobicContact CD2-CD1 4.24Å; Y579-L605 HydrophobicContact CE1-CB 4.37Å; Y579-L605 HydrophobicContact CE1-CD1 3.77Å; Y579-L605 HydrophobicContact CE2-CD1 3.71Å; Y579-L605 VanDerWaalsContact CZ-CD1 3.47Å; V581-L605 HydrophobicContact CG2-CD2 4.29Å; V596-L605 HydrophobicContact CB-CD2 4.48Å; V596-L605 HydrophobicContact CG1-CD2 3.45Å; V596-L605 VanDerWaalsContact CG1-CD2 3.45Å; V596-L605 HydrophobicContact CG2-CD2 4.16Å; L605-L607 HydrophobicContact CD2-CD1 4.17Å; L605-M610 HydrophobicContact CD1-SD 3.82Å; L605-G637 WeakPolarHBondContact O-CA 3.45Å; L605-I638 HydrophobicContact CB-CB 4.44Å; L605-I638 PolarHBondContact N-O 3.33Å; L605-I638 PolarHBondContact O-N 3.14Å; L605-L640 HydrophobicContact CB-CD1 4.01Å; L605-L640 HydrophobicContact CD2-CD1 4.2Å
606	N	96.4	Very high	95	Very high	53 Å²	53	44 Å²	44	28%	0.283	27%	0.272	S	S	.	.			trans	-101.4	102.4	165.5	-176	-41.6	0	0	0	109.6	Q608 N609 S636	N606-Q608 WeakPolarHBondContact OD1-CB 3.33Å; N606-Q608 PolarHBondContact OD1-N 2.86Å; N606-Q608 VanDerWaalsContact OD1-N 3.14Å; N606-N609 PolarHBondContact OD1-N 3.04Å; N606-S636 WeakPolarHBondContact CB-O 3.11Å; N606-S636 VanDerWaalsContact CG-O 3.29Å; N606-S636 PolarHBondContact ND2-O 2.96Å
607	L	94.8	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-75.6	-25.2	-174.3	-165.5	65.1	0	0	0	112.4	V581 I594 V596 L605 N609 M610 I611 L614 T635 I638 L648	V581-L607 HydrophobicContact CG1-CD1 4.07Å; I594-L607 HydrophobicContact CD1-CD2 4.41Å; I594-L607 HydrophobicContact CG2-CD1 4.37Å; I594-L607 HydrophobicContact CG2-CD2 4.26Å; V596-L607 HydrophobicContact CG2-CD1 4.38Å; L605-L607 HydrophobicContact CD2-CD1 4.17Å; L607-N609 PolarHBondContact O-N 3.07Å; L607-M610 PolarHBondContact O-N 3.23Å; L607-I611 HydrophobicContact CD1-CD1 4.45Å; L607-I611 PolarHBondContact O-N 2.86Å; L607-L614 HydrophobicContact CB-CD1 4.04Å; L607-L614 HydrophobicContact CD2-CD1 3.62Å; L607-L614 HydrophobicContact CG-CD1 3.51Å; L607-T635 PolarHBondContact N-O 3.34Å; L607-I638 HydrophobicContact CB-CD1 4.2Å; L607-I638 HydrophobicContact CD2-CD1 4.19Å; L607-L648 HydrophobicContact CD2-CD1 3.86Å
608	Q	93.5	Very high	94.8	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.7	177.3	-61.2	-178	5.8	0	0	112.8	N606 M610 T635	N606-Q608 WeakPolarHBondContact OD1-CB 3.33Å; N606-Q608 PolarHBondContact OD1-N 2.86Å; N606-Q608 VanDerWaalsContact OD1-N 3.14Å; Q608-M610 VanDerWaalsContact C-N 3.25Å; Q608-M610 PolarHBondContact O-N 3.44Å; Q608-T635 WeakPolarHBondContact CG-OG1 3.49Å; Q608-T635 PolarHBondContact N-O 3.3Å; Q608-T635 PolarHBondContact NE2-OG1 2.72Å
609	N	92.7	Very high	94.8	Very high	117 Å²	117	53.9 Å²	53.9	63%	0.626	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-72.6	-19.3	174.3	-71.2	-22.1	0	0	0	113.2	R574 N606 L607	R574-N609 PolarHBondContact NH2-O 3.15Å; N606-N609 PolarHBondContact OD1-N 3.04Å; L607-N609 PolarHBondContact O-N 3.07Å
610	M	91.9	Very high	94.8	Very high	22 Å²	22	54 Å²	54	11%	0.108	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-40.1	-176.4	-55	-172.3	85.8	0	0	112.2	L573 Y579 V581 L605 L607 Q608	L573-M610 HydrophobicContact CB-CE 3.93Å; L573-M610 HydrophobicContact CD1-CB 3.82Å; L573-M610 HydrophobicContact CD1-CE 4.25Å; Y579-M610 HydrophobicContact CE2-CE 4.18Å; Y579-M610 HydrophobicContact CE2-SD 4.14Å; V581-M610 HydrophobicContact CB-CE 4.25Å; V581-M610 HydrophobicContact CB-SD 4.39Å; V581-M610 HydrophobicContact CG2-CE 4.31Å; V581-M610 HydrophobicContact CG2-SD 4.1Å; L605-M610 HydrophobicContact CD1-SD 3.82Å; L607-M610 PolarHBondContact O-N 3.23Å; Q608-M610 VanDerWaalsContact C-N 3.25Å; Q608-M610 PolarHBondContact O-N 3.44Å
611	I	91	Very high	94.9	Very high	11 Å²	11	57 Å²	57	6%	0.056	32%	0.324	C	S	.	.	S	Bend	trans	-125.5	117.9	-179	-54.2	173.5	0	0	0	109.1	L573 T583 I594 L607 L614	L573-I611 HydrophobicContact CD1-CD1 3.95Å; L573-I611 HydrophobicContact CD1-CG1 3.66Å; T583-I611 HydrophobicContact CG2-CD1 4.02Å; I594-I611 HydrophobicContact CD1-CD1 3.95Å; I594-I611 HydrophobicContact CG1-CD1 4.11Å; I594-I611 HydrophobicContact CG2-CD1 3.86Å; L607-I611 HydrophobicContact CD1-CD1 4.45Å; L607-I611 PolarHBondContact O-N 2.86Å; I611-L614 HydrophobicContact CB-CD1 3.87Å; I611-L614 HydrophobicContact CB-CG 4.06Å; I611-L614 HydrophobicContact CG2-CD1 4.36Å; I611-L614 HydrophobicContact CG2-CD2 4.11Å; I611-L614 HydrophobicContact CG2-CG 4.01Å
612	S	88.9	Confident	94.9	Very high	87 Å²	87	51.6 Å²	51.6	61%	0.608	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	143.6	177.3	57.8	0	0	0	0	112.1
613	G	87.6	Confident	95	Very high	68 Å²	68	48.7 Å²	48.7	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	14	172.6	0	0	0	0	0	114.9
614	L	93	Very high	94.9	Very high	20 Å²	20	48 Å²	48	11%	0.105	28%	0.275	C	S	.	.			trans	-68.5	144.2	170.9	-68.6	177.5	0	0	0	111.5	I594 L607 I611 T635	I594-L614 HydrophobicContact CD1-CD2 3.71Å; L607-L614 HydrophobicContact CB-CD1 4.04Å; L607-L614 HydrophobicContact CD2-CD1 3.62Å; L607-L614 HydrophobicContact CG-CD1 3.51Å; I611-L614 HydrophobicContact CB-CD1 3.87Å; I611-L614 HydrophobicContact CB-CG 4.06Å; I611-L614 HydrophobicContact CG2-CD1 4.36Å; I611-L614 HydrophobicContact CG2-CD2 4.11Å; I611-L614 HydrophobicContact CG2-CG 4.01Å; L614-T635 HydrophobicContact CB-CG2 4.37Å
615	P	94.4	Very high	94.8	Very high	55 Å²	55	45.6 Å²	45.6	36%	0.357	26%	0.263	S	S	.	.			trans	-67.8	165.6	170.5	30	-35.7	0	0	0	111.3	T617 V618 T635 H650	P615-T617 VanDerWaalsContact C-N 3.28Å; P615-T617 WeakPolarHBondContact CG-O 3.41Å; P615-T617 PolarHBondContact O-N 2.92Å; P615-V618 HydrophobicContact CG-CG2 3.67Å; P615-T635 WeakPolarHBondContact O-CG2 3.48Å; P615-T635 PolarHBondContact O-OG1 2.71Å; P615-H650 VanDerWaalsContact CD-CE1 3.42Å; P615-H650 WeakPolarHBondContact CD-CE1 3.46Å
616	A	95.3	Very high	94.5	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	28%	0.276	S	S	*	.	S	Bend	trans	-59.7	-38.5	177.3	0	0	0	0	0	112.2	D634 T635	A616-D634 WeakPolarHBondContact O-CA 3.39Å; A616-T635 PolarHBondContact O-N 3.37Å; A616-T635 PolarHBondContact O-OG1 3.33Å
617	T	96.4	Very high	94.3	Very high	64 Å²	64	47.5 Å²	47.5	39%	0.393	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.5	174	63.3	0	0	0	0	111.6	P615 E632 V633	P615-T617 VanDerWaalsContact C-N 3.28Å; P615-T617 WeakPolarHBondContact CG-O 3.41Å; P615-T617 PolarHBondContact O-N 2.92Å; T617-E632 WeakPolarHBondContact CB-OE2 3.42Å; T617-E632 PolarHBondContact OG1-OE2 3.24Å; T617-V633 CarbonylContact C-O 3.35Å; T617-V633 VanDerWaalsContact CA-O 3.24Å; T617-V633 WeakPolarHBondContact CA-O 3.32Å
618	V	96.8	Very high	94.2	Very high	5 Å²	5	50 Å²	50	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.4	174.4	177.8	0	0	0	0	109.3	P615 E632 V633 T635 L648 E649	P615-V618 HydrophobicContact CG-CG2 3.67Å; V618-E632 WeakPolarHBondContact O-CA 3.43Å; V618-V633 PolarHBondContact N-O 2.85Å; V618-V633 PolarHBondContact O-N 2.92Å; V618-T635 HydrophobicContact CB-CG2 4.06Å; V618-T635 HydrophobicContact CG2-CG2 3.38Å; V618-L648 HydrophobicContact CG1-CB 3.79Å; V618-E649 WeakPolarHBondContact CG1-O 3.45Å
619	R	97.3	Very high	94.2	Very high	137 Å²	137	50.1 Å²	50.1	52%	0.517	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.1	-178.9	-172	-178.9	-179.9	-163.3	-1.1	111.6	R621 E649	R619-R621 PolarHBondContact O-N 3.27Å; R619-E649 PolarHBondContact O-N 2.97Å; R619-E649 VanDerWaalsContact O-N 3.13Å
620	I	98.2	Very high	94.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114	170	-63.7	174.4	0	0	0	109	L622 N628 G630 S631 V633 L646 L648	I620-L622 WeakPolarHBondContact CG2-O 3.47Å; I620-N628 HydrophobicContact CD1-CB 4.13Å; I620-N628 WeakPolarHBondContact CG2-O 3.48Å; I620-G630 VanDerWaalsContact O-CA 3.25Å; I620-G630 WeakPolarHBondContact O-CA 3.43Å; I620-G630 PolarHBondContact O-N 2.97Å; I620-S631 PolarHBondContact N-O 2.58Å; I620-V633 HydrophobicContact CD1-CG1 3.58Å; I620-V633 HydrophobicContact CG1-CG1 4.12Å; I620-V633 HydrophobicContact CG1-CG2 4.33Å; I620-L646 HydrophobicContact CD1-CD1 4.45Å; I620-L646 HydrophobicContact CD1-CD2 4.02Å; I620-L646 HydrophobicContact CG2-CD2 4.45Å; I620-L648 HydrophobicContact CB-CD2 4.46Å; I620-L648 HydrophobicContact CG1-CD2 3.74Å
621	R	97.9	Very high	94.5	Very high	78 Å²	78	47.4 Å²	47.4	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-39.4	173.6	-178.7	62	-176.2	79.9	-0.4	112	F593 R619 I647 E649	F593-R621 HydrophobicContact CE1-CB 4.4Å; F593-R621 HydrophobicContact CE1-CG 3.94Å; R619-R621 PolarHBondContact O-N 3.27Å; R621-I647 WeakPolarHBondContact CA-O 3.32Å; R621-I647 HydrophobicContact CB-CG2 4.36Å; R621-I647 WeakPolarHBondContact CB-O 3.44Å; R621-I647 PolarHBondContact N-O 3.42Å; R621-E649 HydrophobicContact CB-CB 4.2Å
622	L	97.9	Very high	94.7	Very high	4 Å²	4	53 Å²	53	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.1	175.9	-161.9	64.9	0	0	0	109.9	L551 D554 L555 L558 I620 K629 I647	L551-L622 HydrophobicContact CD1-CD1 4.39Å; L551-L622 HydrophobicContact CD1-CD2 4.06Å; L551-L622 HydrophobicContact CD1-CG 4.09Å; D554-L622 HydrophobicContact CB-CD1 4.07Å; D554-L622 HydrophobicContact CB-CD2 4.43Å; L555-L622 HydrophobicContact CD2-CD2 3.47Å; L555-L622 VanDerWaalsContact CD2-CD2 3.47Å; L555-L622 HydrophobicContact CG-CD2 3.75Å; L558-L622 HydrophobicContact CD2-CD2 4.45Å; I620-L622 WeakPolarHBondContact CG2-O 3.47Å; L622-K629 HydrophobicContact CD1-CD 4.18Å; L622-I647 HydrophobicContact CB-CB 4.22Å; L622-I647 HydrophobicContact CB-CD1 4.11Å; L622-I647 HydrophobicContact CB-CG1 4.32Å; L622-I647 HydrophobicContact CD2-CD1 4.19Å; L622-I647 PolarHBondContact N-O 2.82Å; L622-I647 PolarHBondContact O-N 3.03Å
623	S	98.2	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150	177.5	169.3	0	0	0	0	109.6	N625 G645 L646	S623-N625 WeakPolarHBondContact CB-O 3.24Å; S623-N625 PolarHBondContact O-N 3.48Å; S623-N625 PolarHBondContact OG-N 3.03Å; S623-N625 VanDerWaalsContact OG-N 3.08Å; S623-N625 PolarHBondContact OG-O 3.35Å; S623-G645 CarbonylContact C-O 3.56Å; S623-G645 VanDerWaalsContact CA-O 3.32Å; S623-G645 WeakPolarHBondContact CA-O 3.4Å; S623-L646 WeakPolarHBondContact OG-CD2 3.35Å
624	T	97.4	Very high	95.5	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.098	29%	0.285	C	S	.	.	S	Bend	trans	-62.1	-24.1	170.7	56.2	0	0	0	0	112.4	N463 V464 M467 L551 E644 G645	N463-T624 HydrophobicContact CB-CG2 3.85Å; N463-T624 PolarHBondContact ND2-O 2.79Å; N463-T624 VanDerWaalsContact ND2-O 3.11Å; V464-T624 HydrophobicContact CB-CG2 4.13Å; M467-T624 HydrophobicContact CB-CG2 4.46Å; M467-T624 HydrophobicContact CE-CG2 3.79Å; M467-T624 HydrophobicContact SD-CG2 4.23Å; L551-T624 HydrophobicContact CD2-CG2 4.33Å; T624-E644 WeakPolarHBondContact OG1-CA 3.44Å; T624-G645 PolarHBondContact N-O 3.36Å; T624-G645 PolarHBondContact OG1-N 2.9Å
625	N	94.7	Very high	95.6	Very high	63 Å²	63	49.7 Å²	49.7	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-98.2	101.2	163.8	-175.1	-14.1	0	0	0	109.4	S623 A627 N628	S623-N625 WeakPolarHBondContact CB-O 3.24Å; S623-N625 PolarHBondContact O-N 3.48Å; S623-N625 PolarHBondContact OG-N 3.03Å; S623-N625 VanDerWaalsContact OG-N 3.08Å; S623-N625 PolarHBondContact OG-O 3.35Å; N625-A627 PolarHBondContact O-N 3.03Å; N625-A627 VanDerWaalsContact OD1-CB 3.26Å; N625-A627 WeakPolarHBondContact OD1-CB 3.35Å; N625-A627 PolarHBondContact OD1-N 2.83Å; N625-N628 PolarHBondContact O-N 3.11Å
626	S	90.7	Very high	95.7	Very high	42 Å²	42	49.6 Å²	49.6	29%	0.294	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.3	-14.6	-173.7	66.1	0	0	0	0	114.5	S545 N628 K629	S545-S626 PolarHBondContact O-OG 2.82Å; S545-S626 VanDerWaalsContact O-OG 3.14Å; S626-N628 PolarHBondContact O-N 2.94Å; S626-K629 WeakPolarHBondContact O-CB 3.47Å; S626-K629 PolarHBondContact O-N 3.47Å
627	A	91.6	Very high	95.7	Very high	51 Å²	51	47.7 Å²	47.7	42%	0.421	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64	-28	172.5	0	0	0	0	0	113.3	N625 K629	N625-A627 PolarHBondContact O-N 3.03Å; N625-A627 VanDerWaalsContact OD1-CB 3.26Å; N625-A627 WeakPolarHBondContact OD1-CB 3.35Å; N625-A627 PolarHBondContact OD1-N 2.83Å; A627-K629 VanDerWaalsContact C-N 3.3Å
628	N	93.3	Very high	95.7	Very high	52 Å²	52	44.8 Å²	44.8	28%	0.278	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-86.9	0.7	-178.8	-63.8	-18.6	0	0	0	112.3	I620 N625 S626 G630 S631 E644	I620-N628 HydrophobicContact CD1-CB 4.13Å; I620-N628 WeakPolarHBondContact CG2-O 3.48Å; N625-N628 PolarHBondContact O-N 3.11Å; S626-N628 PolarHBondContact O-N 2.94Å; N628-G630 PolarHBondContact O-N 3.02Å; N628-S631 PolarHBondContact O-N 3.35Å; N628-S631 PolarHBondContact O-OG 2.94Å; N628-E644 PolarHBondContact ND2-OE1 2.82Å
629	K	93.6	Very high	95.7	Very high	91 Å²	91	50.5 Å²	50.5	40%	0.396	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	121	-179.2	-173.3	177.6	-175.8	174.2	0	110.5	D554 L622 S626 A627	D554-K629 IonicContact OD1-NZ 3.03Å; D554-K629 IonicContact OD2-NZ 3.31Å; D554-K629 PolarHBondContact OD2-NZ 3.39Å; L622-K629 HydrophobicContact CD1-CD 4.18Å; S626-K629 WeakPolarHBondContact O-CB 3.47Å; S626-K629 PolarHBondContact O-N 3.47Å; A627-K629 VanDerWaalsContact C-N 3.3Å
630	G	93.7	Very high	95.8	Very high	33 Å²	33	44 Å²	44	34%	0.34	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-2.9	176.2	0	0	0	0	0	115.6	I620 N628	I620-G630 VanDerWaalsContact O-CA 3.25Å; I620-G630 WeakPolarHBondContact O-CA 3.43Å; I620-G630 PolarHBondContact O-N 2.97Å; N628-G630 PolarHBondContact O-N 3.02Å
631	S	96.1	Very high	95.7	Very high	50 Å²	50	47.7 Å²	47.7	35%	0.35	27%	0.269	S	S	.	.			trans	-73.8	172.2	170.4	63	0	0	0	0	111.5	I620 N628	I620-S631 PolarHBondContact N-O 2.58Å; N628-S631 PolarHBondContact O-N 3.35Å; N628-S631 PolarHBondContact O-OG 2.94Å
632	E	96	Very high	95.7	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	147.5	174.6	-65.6	-172.7	-177	0	0	110.6	T617 V618	T617-E632 WeakPolarHBondContact CB-OE2 3.42Å; T617-E632 PolarHBondContact OG1-OE2 3.24Å; V618-E632 WeakPolarHBondContact O-CA 3.43Å
633	V	96.3	Very high	95.7	Very high	28 Å²	28	47.2 Å²	47.2	17%	0.17	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.3	174.9	-68.9	0	0	0	0	110.7	T617 V618 I620 I638 L648	T617-V633 CarbonylContact C-O 3.35Å; T617-V633 VanDerWaalsContact CA-O 3.24Å; T617-V633 WeakPolarHBondContact CA-O 3.32Å; V618-V633 PolarHBondContact N-O 2.85Å; V618-V633 PolarHBondContact O-N 2.92Å; I620-V633 HydrophobicContact CD1-CG1 3.58Å; I620-V633 HydrophobicContact CG1-CG1 4.12Å; I620-V633 HydrophobicContact CG1-CG2 4.33Å; V633-I638 HydrophobicContact CB-CG1 4.43Å; V633-I638 HydrophobicContact CG2-CD1 4.15Å; V633-I638 HydrophobicContact CG2-CG1 4.26Å; V633-L648 HydrophobicContact CG2-CD2 4.01Å
634	D	96.7	Very high	95.7	Very high	78 Å²	78	48 Å²	48	42%	0.417	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.1	174.5	-171.6	-36.1	0	0	0	110	A616 S636 G637 I638	A616-D634 WeakPolarHBondContact O-CA 3.39Å; D634-S636 VanDerWaalsContact CG-OG 3.32Å; D634-S636 PolarHBondContact O-N 2.93Å; D634-S636 WeakPolarHBondContact OD1-CB 3.28Å; D634-S636 PolarHBondContact OD1-N 3.1Å; D634-S636 PolarHBondContact OD1-OG 3.37Å; D634-G637 CarbonylContact O-C 3.6Å; D634-G637 PolarHBondContact O-N 3.48Å; D634-I638 WeakPolarHBondContact O-CG1 3.48Å
635	T	95.6	Very high	95.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16	-175.8	56.9	0	0	0	0	113.8	L607 Q608 L614 P615 A616 V618	L607-T635 PolarHBondContact N-O 3.34Å; Q608-T635 WeakPolarHBondContact CG-OG1 3.49Å; Q608-T635 PolarHBondContact N-O 3.3Å; Q608-T635 PolarHBondContact NE2-OG1 2.72Å; L614-T635 HydrophobicContact CB-CG2 4.37Å; P615-T635 WeakPolarHBondContact O-CG2 3.48Å; P615-T635 PolarHBondContact O-OG1 2.71Å; A616-T635 PolarHBondContact O-N 3.37Å; A616-T635 PolarHBondContact O-OG1 3.33Å; V618-T635 HydrophobicContact CB-CG2 4.06Å; V618-T635 HydrophobicContact CG2-CG2 3.38Å
636	S	95.6	Very high	96	Very high	52 Å²	52	44.4 Å²	44.4	36%	0.364	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.3	176.1	70.3	0	0	0	0	113.3	N606 D634	N606-S636 WeakPolarHBondContact CB-O 3.11Å; N606-S636 VanDerWaalsContact CG-O 3.29Å; N606-S636 PolarHBondContact ND2-O 2.96Å; D634-S636 VanDerWaalsContact CG-OG 3.32Å; D634-S636 PolarHBondContact O-N 2.93Å; D634-S636 WeakPolarHBondContact OD1-CB 3.28Å; D634-S636 PolarHBondContact OD1-N 3.1Å; D634-S636 PolarHBondContact OD1-OG 3.37Å
637	G	95.7	Very high	96.4	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	24%	0.24	S	C	.	.			trans	-162.4	88.1	-178.8	0	0	0	0	0	112.6	L605 D634	L605-G637 WeakPolarHBondContact O-CA 3.45Å; D634-G637 CarbonylContact O-C 3.6Å; D634-G637 PolarHBondContact O-N 3.48Å
638	I	97	Very high	96.7	Very high	3 Å²	3	40 Å²	40	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	174.4	-54	176.7	0	0	0	107.9	L605 L607 V633 D634 L640 L646 L648	L605-I638 HydrophobicContact CB-CB 4.44Å; L605-I638 PolarHBondContact N-O 3.33Å; L605-I638 PolarHBondContact O-N 3.14Å; L607-I638 HydrophobicContact CB-CD1 4.2Å; L607-I638 HydrophobicContact CD2-CD1 4.19Å; V633-I638 HydrophobicContact CB-CG1 4.43Å; V633-I638 HydrophobicContact CG2-CD1 4.15Å; V633-I638 HydrophobicContact CG2-CG1 4.26Å; D634-I638 WeakPolarHBondContact O-CG1 3.48Å; I638-L640 HydrophobicContact CG2-CD2 4.02Å; I638-L640 HydrophobicContact CG2-CG 4.23Å; I638-L646 HydrophobicContact CG2-CD1 3.76Å; I638-L648 HydrophobicContact CD1-CD1 4.1Å
639	F	97.4	Very high	96.9	Very high	125 Å²	125	39.6 Å²	39.6	55%	0.548	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.4	172.1	-173.1	-98.9	0	0	0	109.1	L604 D641	L604-F639 HydrophobicContact CD1-CB 4.31Å; F639-D641 VanDerWaalsContact CE1-OD1 3.26Å; F639-D641 WeakPolarHBondContact CE1-OD1 3.43Å
640	L	97.6	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.5	-179.5	-64.6	167.2	0	0	0	108.7	V596 N598 S602 T603 L605 I638 E644 L646	V596-L640 HydrophobicContact CG1-CD1 3.59Å; V596-L640 HydrophobicContact CG1-CD2 4.2Å; N598-L640 HydrophobicContact CB-CB 3.98Å; N598-L640 HydrophobicContact CB-CD1 4.35Å; N598-L640 PolarHBondContact ND2-O 3.18Å; S602-L640 CarbonylContact C-O 3.6Å; S602-L640 WeakPolarHBondContact CA-O 3.44Å; T603-L640 HydrophobicContact CG2-CB 4.44Å; T603-L640 PolarHBondContact N-O 3.04Å; T603-L640 PolarHBondContact O-N 3.11Å; L605-L640 HydrophobicContact CB-CD1 4.01Å; L605-L640 HydrophobicContact CD2-CD1 4.2Å; I638-L640 HydrophobicContact CG2-CD2 4.02Å; I638-L640 HydrophobicContact CG2-CG 4.23Å; L640-E644 WeakPolarHBondContact CA-OE2 3.48Å; L640-L646 HydrophobicContact CD2-CD1 3.72Å; L640-L646 HydrophobicContact CD2-CG 4.06Å
641	D	97.9	Very high	97.1	Very high	79 Å²	79	40.4 Å²	40.4	42%	0.422	22%	0.217	S	C	.	.			trans	-71.1	164	170.9	-80.6	-39.6	0	0	0	112	N598 S602 F639 G643 E644	N598-D641 PolarHBondContact ND2-O 3.21Å; S602-D641 PolarHBondContact OG-OD1 2.73Å; F639-D641 VanDerWaalsContact CE1-OD1 3.26Å; F639-D641 WeakPolarHBondContact CE1-OD1 3.43Å; D641-G643 PolarHBondContact O-N 2.81Å; D641-E644 HydrophobicContact CB-CB 4.19Å; D641-E644 PolarHBondContact N-OE2 3.37Å; D641-E644 VanDerWaalsContact O-CB 3.28Å; D641-E644 WeakPolarHBondContact O-CB 3.45Å; D641-E644 PolarHBondContact O-N 3.17Å
642	K	97.9	Very high	97.1	Very high	68 Å²	68	39 Å²	39	30%	0.296	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	124.3	171.6	-173.9	-174.2	-172	-165.9	0	109.9	E460 Y461 G600 E601 S602 E644	E460-K642 HydrophobicContact CG-CD 4.27Å; E460-K642 HydrophobicContact CG-CG 4.48Å; E460-K642 WeakPolarHBondContact OE1-CE 3.06Å; E460-K642 IonicContact OE1-NZ 2.9Å; E460-K642 PolarHBondContact OE1-NZ 3.25Å; Y461-K642 WeakPolarHBondContact OH-CE 3.24Å; G600-K642 WeakPolarHBondContact O-CG 3.13Å; E601-K642 IonicContact OE1-NZ 3.59Å; S602-K642 PolarHBondContact OG-N 3.28Å; K642-E644 VanDerWaalsContact C-N 3.27Å; K642-E644 PolarHBondContact O-N 2.51Å
643	G	97.6	Very high	97	Very high	5 Å²	5	40.1 Å²	40.1	5%	0.052	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	17.7	-177.5	0	0	0	0	0	114.3	V464 N598 D641	V464-G643 WeakPolarHBondContact CB-O 3.47Å; N598-G643 WeakPolarHBondContact O-CA 3.34Å; N598-G643 PolarHBondContact O-N 3.4Å; D641-G643 PolarHBondContact O-N 2.81Å
644	E	98.2	Very high	96.9	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.075	23%	0.231	C	C	.	.			trans	-82.5	135.4	174.8	-167	168.1	-159.9	0	0	111.9	N598 T624 N628 L640 D641 K642 L646	N598-E644 PolarHBondContact N-O 3.22Å; T624-E644 WeakPolarHBondContact OG1-CA 3.44Å; N628-E644 PolarHBondContact ND2-OE1 2.82Å; L640-E644 WeakPolarHBondContact CA-OE2 3.48Å; D641-E644 HydrophobicContact CB-CB 4.19Å; D641-E644 PolarHBondContact N-OE2 3.37Å; D641-E644 VanDerWaalsContact O-CB 3.28Å; D641-E644 WeakPolarHBondContact O-CB 3.45Å; D641-E644 PolarHBondContact O-N 3.17Å; K642-E644 VanDerWaalsContact C-N 3.27Å; K642-E644 PolarHBondContact O-N 2.51Å; E644-L646 HydrophobicContact CG-CD2 4.37Å
645	G	98.5	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136	174.3	0	0	0	0	0	110.9	V596 S623 T624	V596-G645 CarbonylContact O-C 3.59Å; V596-G645 WeakPolarHBondContact O-CA 3.48Å; S623-G645 CarbonylContact C-O 3.56Å; S623-G645 VanDerWaalsContact CA-O 3.32Å; S623-G645 WeakPolarHBondContact CA-O 3.4Å; T624-G645 PolarHBondContact N-O 3.36Å; T624-G645 PolarHBondContact OG1-N 2.9Å
646	L	98.6	Very high	96.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.8	178.7	-56.3	179.2	0	0	0	110.2	V596 I620 S623 I638 L640 E644 L648	V596-L646 PolarHBondContact N-O 2.96Å; V596-L646 PolarHBondContact O-N 3.26Å; I620-L646 HydrophobicContact CD1-CD1 4.45Å; I620-L646 HydrophobicContact CD1-CD2 4.02Å; I620-L646 HydrophobicContact CG2-CD2 4.45Å; S623-L646 WeakPolarHBondContact OG-CD2 3.35Å; I638-L646 HydrophobicContact CG2-CD1 3.76Å; L640-L646 HydrophobicContact CD2-CD1 3.72Å; L640-L646 HydrophobicContact CD2-CG 4.06Å; E644-L646 HydrophobicContact CG-CD2 4.37Å; L646-L648 HydrophobicContact CB-CD2 4.12Å; L646-L648 HydrophobicContact CB-CG 4.47Å
647	I	98.7	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.7	164.1	-52	-178.6	0	0	0	106.9	M467 T471 L555 L558 F593 R621 L622	M467-I647 HydrophobicContact CE-CD1 4.45Å; M467-I647 HydrophobicContact CE-CG1 4.15Å; M467-I647 HydrophobicContact CG-CD1 4.2Å; M467-I647 HydrophobicContact CG-CG1 4.15Å; M467-I647 HydrophobicContact SD-CD1 4.38Å; M467-I647 HydrophobicContact SD-CG1 3.78Å; T471-I647 HydrophobicContact CG2-CD1 3.52Å; T471-I647 HydrophobicContact CG2-CG1 4.23Å; L555-I647 HydrophobicContact CD2-CD1 3.99Å; L558-I647 HydrophobicContact CD2-CD1 3.95Å; F593-I647 HydrophobicContact CB-CG2 4.23Å; F593-I647 HydrophobicContact CD1-CG2 3.87Å; F593-I647 HydrophobicContact CG-CG2 4.14Å; R621-I647 WeakPolarHBondContact CA-O 3.32Å; R621-I647 HydrophobicContact CB-CG2 4.36Å; R621-I647 WeakPolarHBondContact CB-O 3.44Å; R621-I647 PolarHBondContact N-O 3.42Å; L622-I647 HydrophobicContact CB-CB 4.22Å; L622-I647 HydrophobicContact CB-CD1 4.11Å; L622-I647 HydrophobicContact CB-CG1 4.32Å; L622-I647 HydrophobicContact CD2-CD1 4.19Å; L622-I647 PolarHBondContact N-O 2.82Å; L622-I647 PolarHBondContact O-N 3.03Å
648	L	98.3	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.7	179.3	-53.4	179.8	0	0	0	109.8	F593 I594 V596 L607 V618 I620 V633 I638 L646	F593-L648 WeakPolarHBondContact CA-O 3.46Å; I594-L648 HydrophobicContact CB-CB 4.24Å; I594-L648 PolarHBondContact N-O 3.45Å; I594-L648 PolarHBondContact O-N 2.83Å; V596-L648 HydrophobicContact CG2-CD1 4.36Å; L607-L648 HydrophobicContact CD2-CD1 3.86Å; V618-L648 HydrophobicContact CG1-CB 3.79Å; I620-L648 HydrophobicContact CB-CD2 4.46Å; I620-L648 HydrophobicContact CG1-CD2 3.74Å; V633-L648 HydrophobicContact CG2-CD2 4.01Å; I638-L648 HydrophobicContact CD1-CD1 4.1Å; L646-L648 HydrophobicContact CB-CD2 4.12Å; L646-L648 HydrophobicContact CB-CG 4.47Å
649	E	97.3	Very high	96.8	Very high	44 Å²	44	47 Å²	47	21%	0.206	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.1	176	-176.3	175.9	81.5	0	0	110.2	R591 F593 V618 R619 R621	R591-E649 IonicContact NH1-OE2 3.89Å; R591-E649 PolarHBondContact NH1-OE2 3.3Å; F593-E649 HydrophobicContact CD1-CB 4.3Å; F593-E649 HydrophobicContact CE1-CB 4.15Å; F593-E649 HydrophobicContact CE1-CG 4.17Å; V618-E649 WeakPolarHBondContact CG1-O 3.45Å; R619-E649 PolarHBondContact O-N 2.97Å; R619-E649 VanDerWaalsContact O-N 3.13Å; R621-E649 HydrophobicContact CB-CB 4.2Å
650	H	96.7	Very high	96.7	Very high	21 Å²	21	47.4 Å²	47.4	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120	-178.8	176.6	42.8	0	0	0	111.2	R591 I592 I594 P615 T652	R591-H650 CarbonylContact C-O 3.52Å; R591-H650 WeakPolarHBondContact CA-O 3.44Å; I592-H650 HydrophobicContact CG1-CB 4.08Å; I592-H650 PolarHBondContact N-O 3.08Å; I592-H650 PolarHBondContact O-N 2.76Å; I592-H650 VanDerWaalsContact O-N 3.07Å; I594-H650 HydrophobicContact CD1-CB 4.04Å; P615-H650 VanDerWaalsContact CD-CE1 3.42Å; P615-H650 WeakPolarHBondContact CD-CE1 3.46Å; H650-T652 WeakPolarHBondContact NE2-CB 3.22Å; H650-T652 PolarHBondContact O-N 3.02Å
651	N	96.1	Very high	96.4	Very high	120 Å²	120	50.8 Å²	50.8	64%	0.642	26%	0.263	S	S	*	.			trans	-77.4	113.7	173.5	-64.3	-41	0	0	0	109.9	D590 R591	D590-N651 WeakPolarHBondContact O-CA 3.49Å; R591-N651 WeakPolarHBondContact CB-OD1 3.22Å
652	T	94.9	Very high	96.2	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	25%	0.249	C	C	.	.			trans	-158.4	155.1	-178	-173.1	0	0	0	0	111.2	D590 I592 H650 N654	D590-T652 CarbonylContact C-O 3.57Å; D590-T652 WeakPolarHBondContact CA-O 3.13Å; D590-T652 PolarHBondContact O-N 2.97Å; D590-T652 VanDerWaalsContact O-N 3.12Å; I592-T652 HydrophobicContact CD1-CG2 3.92Å; I592-T652 HydrophobicContact CG1-CG2 3.91Å; I592-T652 HydrophobicContact CG2-CG2 4Å; H650-T652 WeakPolarHBondContact NE2-CB 3.22Å; H650-T652 PolarHBondContact O-N 3.02Å; T652-N654 PolarHBondContact OG1-N 3.32Å; T652-N654 VanDerWaalsContact OG1-N 3.11Å
653	K	94.2	Very high	95.9	Very high	153 Å²	153	49.7 Å²	49.7	67%	0.665	25%	0.252	S	S	*	.	S	Bend	trans	-104.9	-6.6	171.1	-54.6	-168.1	-178.9	-142	0	112.3	D590 L655	D590-K653 HydrophobicContact CB-CG 4.38Å; D590-K653 VanDerWaalsContact CG-CE 3.49Å; D590-K653 IonicContact OD1-NZ 3.87Å; D590-K653 WeakPolarHBondContact OD2-CE 3.26Å; D590-K653 IonicContact OD2-NZ 3.33Å; D590-K653 PolarHBondContact OD2-NZ 2.76Å; K653-L655 PolarHBondContact O-N 2.64Å
654	N	94.4	Very high	95.8	Very high	115 Å²	115	56.3 Å²	56.3	62%	0.615	29%	0.286	S	S	*	.			trans	-88.8	83.1	-177.8	-65.8	-37.7	0	0	0	109.3	T652	T652-N654 PolarHBondContact OG1-N 3.32Å; T652-N654 VanDerWaalsContact OG1-N 3.11Å
655	L	96.4	Very high	95.7	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	29%	0.294	C	S	.	.			trans	-79.5	134.8	-179.7	-51.3	-178.3	0	0	0	110.3	E585 I592 K653 H657 R658	E585-L655 HydrophobicContact CB-CD2 4.37Å; E585-L655 WeakPolarHBondContact OE2-CB 3.47Å; I592-L655 HydrophobicContact CG2-CD2 3.61Å; K653-L655 PolarHBondContact O-N 2.64Å; L655-H657 VanDerWaalsContact C-N 3.35Å; L655-H657 PolarHBondContact O-N 3.02Å; L655-R658 HydrophobicContact CB-CG 4.44Å; L655-R658 PolarHBondContact O-N 3.14Å
656	L	96.4	Very high	95.6	Very high	4 Å²	4	59 Å²	59	2%	0.021	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-62.8	-40.4	-178	-66.1	-175	0	0	0	111.6	C571 L573 T583 E585 R658 Q659 F662	C571-L656 HydrophobicContact CB-CB 4.27Å; C571-L656 HydrophobicContact CB-CD1 4.37Å; L573-L656 HydrophobicContact CD2-CD1 3.79Å; T583-L656 HydrophobicContact CG2-CD1 3.88Å; E585-L656 VanDerWaalsContact CD-N 3.29Å; E585-L656 WeakPolarHBondContact OE1-CB 3.37Å; E585-L656 WeakPolarHBondContact OE1-CG 3.46Å; E585-L656 PolarHBondContact OE1-N 3.26Å; E585-L656 PolarHBondContact OE2-N 3.07Å; L656-R658 PolarHBondContact O-N 2.91Å; L656-R658 VanDerWaalsContact O-N 3.1Å; L656-Q659 WeakPolarHBondContact O-CB 3.49Å; L656-Q659 PolarHBondContact O-N 2.92Å; L656-F662 HydrophobicContact CB-CB 4.18Å; L656-F662 HydrophobicContact CB-CG 4.35Å; L656-F662 HydrophobicContact CD1-CD1 4.49Å; L656-F662 HydrophobicContact CD2-CD1 4.44Å; L656-F662 HydrophobicContact CD2-CD2 4.09Å; L656-F662 HydrophobicContact CD2-CE1 4.48Å; L656-F662 HydrophobicContact CD2-CE2 4.12Å; L656-F662 HydrophobicContact CD2-CG 4.26Å; L656-F662 HydrophobicContact CD2-CZ 4.32Å; L656-F662 WeakPolarHBondContact O-CB 3.47Å
657	H	96.4	Very high	95.6	Very high	6 Å²	6	61 Å²	61	3%	0.028	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.1	-178	73.5	-85.3	0	0	0	114.2	W569 E585 D587 L655 R663 C666	W569-H657 AromaticContact CD1-CE1 3.78Å; W569-H657 AromaticContact CD1-ND1 3.84Å; W569-H657 HydrophobicContact CD2-CB 3.99Å; W569-H657 AromaticContact CD2-CG 3.83Å; W569-H657 AromaticContact CE2-CD2 3.57Å; W569-H657 AromaticContact CE2-CG 3.86Å; W569-H657 AromaticContact CE2-NE2 3.95Å; W569-H657 HydrophobicContact CE3-CB 4.01Å; W569-H657 HydrophobicContact CG-CB 4.38Å; W569-H657 AromaticContact CG-ND1 3.99Å; W569-H657 AromaticContact CZ2-CD2 3.81Å; W569-H657 AromaticContact NE1-CD2 3.64Å; W569-H657 AromaticContact NE1-CE1 3.72Å; W569-H657 AromaticContact NE1-CG 3.95Å; W569-H657 AromaticContact NE1-NE2 3.53Å; E585-H657 IonicContact OE2-CE1 2.82Å; E585-H657 IonicContact OE2-CG 2.99Å; E585-H657 PolarHBondContact OE2-N 2.76Å; E585-H657 IonicContact OE2-ND1 3.82Å; E585-H657 PolarHBondContact OE2-ND1 3.32Å; D587-H657 IonicContact OD1-CE1 2.75Å; D587-H657 IonicContact OD1-NE2 3.83Å; D587-H657 PolarHBondContact OD1-NE2 2.8Å; D587-H657 IonicContact OD2-CE1 3.55Å; D587-H657 IonicContact OD2-NE2 3.65Å; D587-H657 PolarHBondContact OD2-NE2 3.04Å; L655-H657 VanDerWaalsContact C-N 3.35Å; L655-H657 PolarHBondContact O-N 3.02Å; H657-R663 VanDerWaalsContact O-CD 3.29Å; H657-R663 WeakPolarHBondContact O-CD 3.24Å; H657-C666 VanDerWaalsContact CA-SG 3.51Å; H657-C666 HydrophobicContact CB-CB 3.75Å
658	R	95.4	Very high	95.6	Very high	137 Å²	137	62.4 Å²	62.4	52%	0.517	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-84.9	-13.7	173.2	-69.2	-67	-173.6	161.3	-1.7	112.8	D587 L655 L656 C685	D587-R658 IonicContact OD1-CZ 3.21Å; D587-R658 IonicContact OD1-NE 2.83Å; D587-R658 PolarHBondContact OD1-NE 2.87Å; D587-R658 IonicContact OD1-NH2 2.77Å; D587-R658 PolarHBondContact OD1-NH2 2.81Å; D587-R658 IonicContact OD2-NH2 3.97Å; L655-R658 HydrophobicContact CB-CG 4.44Å; L655-R658 PolarHBondContact O-N 3.14Å; L656-R658 PolarHBondContact O-N 2.91Å; L656-R658 VanDerWaalsContact O-N 3.1Å; R658-C685 PolarHBondContact NH2-O 3.38Å
659	Q	94.9	Very high	95.4	Very high	56 Å²	56	63 Å²	63	26%	0.262	32%	0.319	S	S	.	.	S	Bend	trans	-89.2	126.6	178.6	-59.5	177.2	35.2	0	0	109.9	L656 A661 F662 R663	L656-Q659 WeakPolarHBondContact O-CB 3.49Å; L656-Q659 PolarHBondContact O-N 2.92Å; Q659-A661 PolarHBondContact O-N 2.83Å; Q659-A661 VanDerWaalsContact O-N 3.15Å; Q659-F662 HydrophobicContact CB-CD2 4.02Å; Q659-F662 PolarHBondContact O-N 3.44Å; Q659-R663 PolarHBondContact O-N 3.4Å; Q659-R663 VanDerWaalsContact O-N 3.13Å
660	T	93.4	Very high	95.2	Very high	134 Å²	134	63.2 Å²	63.2	82%	0.822	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.5	-178.4	48.8	0	0	0	0	113	F662	T660-F662 PolarHBondContact O-N 3.13Å
661	A	92.6	Very high	95.2	Very high	71 Å²	71	67.3 Å²	67.3	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.5	178.2	0	0	0	0	0	114.9	Q659 R665	Q659-A661 PolarHBondContact O-N 2.83Å; Q659-A661 VanDerWaalsContact O-N 3.15Å; A661-R665 PolarHBondContact O-NH2 3.21Å
662	F	93.8	Very high	95.2	Very high	29 Å²	29	61.6 Å²	61.6	13%	0.127	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-8.4	-178.5	-67	-87.7	0	0	0	113.3	L573 L656 Q659 T660 D664 R665 C666	L573-F662 HydrophobicContact CD2-CD1 4.28Å; L573-F662 HydrophobicContact CD2-CE1 3.88Å; L656-F662 HydrophobicContact CB-CB 4.18Å; L656-F662 HydrophobicContact CB-CG 4.35Å; L656-F662 HydrophobicContact CD1-CD1 4.49Å; L656-F662 HydrophobicContact CD2-CD1 4.44Å; L656-F662 HydrophobicContact CD2-CD2 4.09Å; L656-F662 HydrophobicContact CD2-CE1 4.48Å; L656-F662 HydrophobicContact CD2-CE2 4.12Å; L656-F662 HydrophobicContact CD2-CG 4.26Å; L656-F662 HydrophobicContact CD2-CZ 4.32Å; L656-F662 WeakPolarHBondContact O-CB 3.47Å; Q659-F662 HydrophobicContact CB-CD2 4.02Å; Q659-F662 PolarHBondContact O-N 3.44Å; T660-F662 PolarHBondContact O-N 3.13Å; F662-D664 PolarHBondContact O-N 3.29Å; F662-D664 VanDerWaalsContact O-N 3.16Å; F662-R665 PolarHBondContact O-N 2.96Å; F662-C666 PolarHBondContact O-SG 3.29Å; F662-C666 VanDerWaalsContact O-SG 3.37Å
663	R	92.3	Very high	95.3	Very high	95 Å²	95	60.8 Å²	60.8	36%	0.358	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-53.6	-40.7	-173.6	-175.3	68.9	-162.5	124.7	8.9	113.2	H657 Q659 R665 C666	H657-R663 VanDerWaalsContact O-CD 3.29Å; H657-R663 WeakPolarHBondContact O-CD 3.24Å; Q659-R663 PolarHBondContact O-N 3.4Å; Q659-R663 VanDerWaalsContact O-N 3.13Å; R663-R665 PolarHBondContact O-N 3.2Å; R663-C666 PolarHBondContact O-N 2.97Å
664	D	94.2	Very high	95.5	Very high	144 Å²	144	55.9 Å²	55.9	77%	0.77	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-72.1	-5.7	-176.6	-52.7	-18.9	0	0	0	113.5	F662	F662-D664 PolarHBondContact O-N 3.29Å; F662-D664 VanDerWaalsContact O-N 3.16Å
665	R	95.8	Very high	95.6	Very high	63 Å²	63	51.6 Å²	51.6	24%	0.238	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-117.4	15.9	-178.3	-65.4	177.9	-73.9	179.1	-3.7	112.6	C571 H572 A661 F662 R663	C571-R665 WeakPolarHBondContact CA-O 3.28Å; H572-R665 PolarHBondContact CD2-O 3.29Å; H572-R665 PolarHBondContact N-O 3.17Å; H572-R665 WeakPolarHBondContact NE2-CB 3.4Å; A661-R665 PolarHBondContact O-NH2 3.21Å; F662-R665 PolarHBondContact O-N 2.96Å; R663-R665 PolarHBondContact O-N 3.2Å
666	C	98	Very high	95.5	Very high	10 Å²	10	55 Å²	55	7%	0.068	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.3	-173.1	-73	0	0	0	0	111.3	W569 F570 C571 H657 F662 R663	W569-C666 HydrophobicContact CE3-CB 4.14Å; W569-C666 HydrophobicContact CZ3-CB 4.46Å; F570-C666 CarbonylContact O-C 3.45Å; F570-C666 VanDerWaalsContact O-CA 3.31Å; F570-C666 WeakPolarHBondContact O-CA 3.25Å; C571-C666 HydrophobicContact CB-CB 4.22Å; C571-C666 WeakPolarHBondContact CB-SG 3.33Å; C571-C666 WeakPolarHBondContact SG-CB 3.31Å; C571-C666 CovalentContact SG-SG 2.04Å; C571-C666 PolarHBondContact SG-SG 3.1Å; H657-C666 VanDerWaalsContact CA-SG 3.51Å; H657-C666 HydrophobicContact CB-CB 3.75Å; F662-C666 PolarHBondContact O-SG 3.29Å; F662-C666 VanDerWaalsContact O-SG 3.37Å; R663-C666 PolarHBondContact O-N 2.97Å
667	F	98.1	Very high	95.5	Very high	43 Å²	43	61 Å²	61	19%	0.189	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.9	-172.5	-54.5	-93.1	0	0	0	110.8	M432 E433 W569 F570 H572	M432-F667 HydrophobicContact CB-CD1 4.17Å; M432-F667 HydrophobicContact CB-CD2 4.15Å; M432-F667 HydrophobicContact CB-CE1 4.15Å; M432-F667 HydrophobicContact CB-CE2 4.13Å; M432-F667 HydrophobicContact CB-CG 4.18Å; M432-F667 HydrophobicContact CB-CZ 4.12Å; M432-F667 HydrophobicContact CE-CB 3.42Å; M432-F667 VanDerWaalsContact CE-CB 3.42Å; M432-F667 HydrophobicContact CE-CD1 4.39Å; M432-F667 HydrophobicContact CE-CD2 4.37Å; M432-F667 HydrophobicContact CE-CG 3.83Å; M432-F667 WeakPolarHBondContact O-CD1 3.26Å; M432-F667 VanDerWaalsContact O-CE1 3.22Å; M432-F667 WeakPolarHBondContact O-CE1 3.09Å; E433-F667 HydrophobicContact CG-CE1 4.42Å; E433-F667 HydrophobicContact CG-CZ 3.95Å; W569-F667 WeakPolarHBondContact CA-O 3.22Å; F570-F667 AromaticContact CD1-CD2 3.95Å; F570-F667 HydrophobicContact CD1-CD2 3.95Å; F570-F667 HydrophobicContact CE1-CD2 4.38Å; F570-F667 PolarHBondContact N-O 3.29Å; F570-F667 PolarHBondContact O-N 3.26Å; H572-F667 AromaticContact CD2-CE2 3.81Å; H572-F667 AromaticContact NE2-CE2 3.81Å
668	V	97.6	Very high	95.5	Very high	31 Å²	31	65.8 Å²	65.8	19%	0.188	34%	0.344	C	S	.	.			trans	-152.7	145	175.6	68.6	0	0	0	0	110.9	W569 R671	W569-V668 HydrophobicContact CD2-CB 3.76Å; W569-V668 HydrophobicContact CD2-CG1 4.04Å; W569-V668 HydrophobicContact CD2-CG2 4.3Å; W569-V668 HydrophobicContact CE3-CB 3.62Å; W569-V668 HydrophobicContact CE3-CG1 3.78Å; W569-V668 HydrophobicContact CG-CB 4.31Å; W569-V668 HydrophobicContact CG-CG2 4.48Å; W569-V668 HydrophobicContact CH2-CB 4.19Å; W569-V668 HydrophobicContact CH2-CG1 3.39Å; W569-V668 HydrophobicContact CZ2-CB 4.36Å; W569-V668 HydrophobicContact CZ2-CG1 3.74Å; W569-V668 HydrophobicContact CZ3-CB 3.81Å; W569-V668 HydrophobicContact CZ3-CG1 3.41Å; W569-V668 VanDerWaalsContact CZ3-CG1 3.41Å; V668-R671 HydrophobicContact CG1-CB 3.97Å; V668-R671 HydrophobicContact CG1-CG 4.31Å; V668-R671 HydrophobicContact CG2-CB 4.43Å
669	S	95.4	Very high	95.5	Very high	13 Å²	13	64.8 Å²	64.8	9%	0.091	35%	0.349	C	S	.	.	S	Bend	trans	-114.1	144.1	167.3	-42.6	0	0	0	0	107.8	K439 R671	K439-S669 WeakPolarHBondContact O-CB 3.49Å; K439-S669 PolarHBondContact O-OG 3.13Å; S669-R671 PolarHBondContact O-N 2.89Å
670	N	93.3	Very high	95.6	Very high	48 Å²	48	64.2 Å²	64.2	26%	0.257	35%	0.347	S	S	.	.	S	Bend	trans	54.5	47.5	-178.9	-58.9	49.6	0	0	0	113.8	L115 R567 A672	L115-N670 HydrophobicContact CD2-CB 4.4Å; R567-N670 PolarHBondContact NH1-O 2.86Å; R567-N670 PolarHBondContact NH2-O 2.56Å; N670-A672 PolarHBondContact O-N 3.15Å
671	R	96.1	Very high	95.8	Very high	106 Å²	106	59.7 Å²	59.7	40%	0.4	32%	0.318	S	S	.	.			trans	-47.2	129	-179	-174.9	179.7	175.7	-155.1	-7	112.5	W569 V668 S669	W569-R671 HydrophobicContact CZ2-CG 4.26Å; V668-R671 HydrophobicContact CG1-CB 3.97Å; V668-R671 HydrophobicContact CG1-CG 4.31Å; V668-R671 HydrophobicContact CG2-CB 4.43Å; S669-R671 PolarHBondContact O-N 2.89Å
672	A	96.4	Very high	95.9	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.304	C	S	.	.			trans	-156.7	166.4	163.2	0	0	0	0	0	110.9	P112 R567 L586 N670 L681 Y682	P112-A672 HydrophobicContact CB-CB 4.02Å; P112-A672 HydrophobicContact CG-CB 3.76Å; R567-A672 VanDerWaalsContact NH2-CB 3.29Å; L586-A672 VanDerWaalsContact CD1-O 3.26Å; L586-A672 WeakPolarHBondContact CD1-O 3.46Å; N670-A672 PolarHBondContact O-N 3.15Å; A672-L681 HydrophobicContact CB-CB 4.42Å; A672-Y682 WeakPolarHBondContact CA-O 3.36Å; A672-Y682 WeakPolarHBondContact CB-O 3.49Å
673	C	96.8	Very high	95.9	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.02	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.2	177.7	-68.3	0	0	0	0	109.7	D587 L681 Y682 C685	D587-C673 HydrophobicContact CB-CB 4.06Å; D587-C673 WeakPolarHBondContact CB-SG 3.21Å; C673-L681 CarbonylContact O-C 3.52Å; C673-L681 VanDerWaalsContact O-CA 3.25Å; C673-L681 WeakPolarHBondContact O-CA 3.16Å; C673-Y682 HydrophobicContact CB-CD1 4.24Å; C673-Y682 HydrophobicContact CB-CD2 4.38Å; C673-Y682 HydrophobicContact CB-CE1 3.68Å; C673-Y682 HydrophobicContact CB-CE2 3.85Å; C673-Y682 VanDerWaalsContact CB-CZ 3.46Å; C673-Y682 PolarHBondContact N-O 2.58Å; C673-Y682 WeakPolarHBondContact O-CD1 3.19Å; C673-Y682 PolarHBondContact O-N 3.13Å; C673-C685 VanDerWaalsContact CA-SG 3.58Å; C673-C685 HydrophobicContact CB-CB 4.37Å; C673-C685 WeakPolarHBondContact CB-SG 3.26Å; C673-C685 PolarHBondContact N-SG 2.66Å; C673-C685 WeakPolarHBondContact SG-CA 3.22Å; C673-C685 WeakPolarHBondContact SG-CB 3.34Å; C673-C685 CovalentContact SG-SG 2.03Å; C673-C685 PolarHBondContact SG-SG 3.38Å
674	Y	97.5	Very high	95.7	Very high	49 Å²	49	61 Å²	61	19%	0.192	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.7	177.1	-180	-110.1	0	0	0	111.3	D587 G588 I589 N679 L681	D587-Y674 PolarHBondContact O-N 2.81Å; G588-Y674 WeakPolarHBondContact CA-O 3.4Å; I589-Y674 HydrophobicContact CD1-CD1 4.43Å; I589-Y674 HydrophobicContact CG1-CD1 3.69Å; I589-Y674 HydrophobicContact CG1-CE1 4.47Å; I589-Y674 HydrophobicContact CG1-CG 4.09Å; Y674-N679 PolarHBondContact OH-OD1 2.8Å; Y674-L681 HydrophobicContact CD2-CD2 4.11Å
675	S	97	Very high	94.8	Very high	25 Å²	25	57 Å²	57	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.1	170.6	177.7	0	0	0	0	109.1	V677 L678 N679 I680	S675-V677 VanDerWaalsContact C-N 3.25Å; S675-V677 PolarHBondContact O-N 2.82Å; S675-L678 PolarHBondContact O-N 3.03Å; S675-L678 PolarHBondContact OG-N 2.87Å; S675-N679 WeakPolarHBondContact O-CA 3.37Å; S675-N679 PolarHBondContact O-N 3.33Å; S675-I680 PolarHBondContact N-O 2.85Å; S675-I680 PolarHBondContact O-N 2.52Å
676	S	94.9	Very high	94.8	Very high	86 Å²	86	56.7 Å²	56.7	60%	0.601	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.7	177.1	57.7	0	0	0	0	113.3
677	V	96.4	Very high	94.6	Very high	131 Å²	131	59.1 Å²	59.1	79%	0.794	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-41.6	178.4	178.6	0	0	0	0	111.5	S675	S675-V677 VanDerWaalsContact C-N 3.25Å; S675-V677 PolarHBondContact O-N 2.82Å
678	L	95.1	Very high	94.4	Very high	106 Å²	106	60 Å²	60	56%	0.555	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.4	-177.7	-63	179.2	0	0	0	112.8	S675 I680	S675-L678 PolarHBondContact O-N 3.03Å; S675-L678 PolarHBondContact OG-N 2.87Å; L678-I680 VanDerWaalsContact C-N 3.35Å; L678-I680 HydrophobicContact CB-CD1 4.04Å; L678-I680 HydrophobicContact CB-CG1 3.84Å; L678-I680 HydrophobicContact CB-CG2 4.48Å; L678-I680 HydrophobicContact CD1-CD1 3.88Å; L678-I680 HydrophobicContact CD1-CG1 4.45Å
679	N	96	Very high	94.2	Very high	116 Å²	116	61.7 Å²	61.7	62%	0.62	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	46.6	-171.6	-167.7	37.2	0	0	0	113	Y674 S675	Y674-N679 PolarHBondContact OH-OD1 2.8Å; S675-N679 WeakPolarHBondContact O-CA 3.37Å; S675-N679 PolarHBondContact O-N 3.33Å
680	I	96.5	Very high	94.1	Very high	45 Å²	45	64.8 Å²	64.8	23%	0.231	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.2	179.1	66.3	178.4	0	0	0	111.8	I107 S675 L678	I107-I680 HydrophobicContact CG1-CD1 4.18Å; I107-I680 HydrophobicContact CG2-CD1 4.04Å; S675-I680 PolarHBondContact N-O 2.85Å; S675-I680 PolarHBondContact O-N 2.52Å; L678-I680 VanDerWaalsContact C-N 3.35Å; L678-I680 HydrophobicContact CB-CD1 4.04Å; L678-I680 HydrophobicContact CB-CG1 3.84Å; L678-I680 HydrophobicContact CB-CG2 4.48Å; L678-I680 HydrophobicContact CD1-CD1 3.88Å; L678-I680 HydrophobicContact CD1-CG1 4.45Å
681	L	97.1	Very high	94.2	Very high	39 Å²	39	65.9 Å²	65.9	20%	0.204	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.1	165.4	-67.3	168.5	0	0	0	110.1	P112 L586 A672 C673 Y674	P112-L681 VanDerWaalsContact CD-O 3.23Å; P112-L681 WeakPolarHBondContact CD-O 3.24Å; P112-L681 HydrophobicContact CG-CB 3.73Å; L586-L681 HydrophobicContact CD2-CD2 4.37Å; A672-L681 HydrophobicContact CB-CB 4.42Å; C673-L681 CarbonylContact O-C 3.52Å; C673-L681 VanDerWaalsContact O-CA 3.25Å; C673-L681 WeakPolarHBondContact O-CA 3.16Å; Y674-L681 HydrophobicContact CD2-CD2 4.11Å
682	Y	96.5	Very high	94	Very high	74 Å²	74	63 Å²	63	29%	0.29	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148.5	178.2	65.7	-80	0	0	0	112	L110 A672 C673 S684	L110-Y682 CarbonylContact O-C 3.51Å; L110-Y682 VanDerWaalsContact O-CA 3.29Å; L110-Y682 WeakPolarHBondContact O-CA 3.45Å; A672-Y682 WeakPolarHBondContact CA-O 3.36Å; A672-Y682 WeakPolarHBondContact CB-O 3.49Å; C673-Y682 HydrophobicContact CB-CD1 4.24Å; C673-Y682 HydrophobicContact CB-CD2 4.38Å; C673-Y682 HydrophobicContact CB-CE1 3.68Å; C673-Y682 HydrophobicContact CB-CE2 3.85Å; C673-Y682 VanDerWaalsContact CB-CZ 3.46Å; C673-Y682 PolarHBondContact N-O 2.58Å; C673-Y682 WeakPolarHBondContact O-CD1 3.19Å; C673-Y682 PolarHBondContact O-N 3.13Å; Y682-S684 VanDerWaalsContact CE2-O 3.28Å; Y682-S684 WeakPolarHBondContact CE2-O 3.21Å
683	T	93.9	Very high	93.9	Very high	68 Å²	68	67.8 Å²	67.8	42%	0.417	39%	0.389	S	S	.	.	S	Bend	trans	-86.4	-21.2	-172.1	51.2	0	0	0	0	114.4	L110 P112 C685	L110-T683 PolarHBondContact O-N 2.97Å; L110-T683 PolarHBondContact O-OG1 3.01Å; P112-T683 HydrophobicContact CB-CG2 3.73Å; T683-C685 PolarHBondContact O-N 2.87Å
684	S	87.1	Confident	93.6	Very high	79 Å²	79	73.2 Å²	73.2	55%	0.552	42%	0.42	S	S	*	.			trans	-75	65.6	179.4	179.7	0	0	0	0	112.3	Y682	Y682-S684 VanDerWaalsContact CE2-O 3.28Å; Y682-S684 WeakPolarHBondContact CE2-O 3.21Å
685	C	75.3	Confident	93.3	Very high	60 Å²	60	75.4 Å²	75.4	41%	0.405	44%	0.441	S	S	.	.			trans	-88.3	0	172.2	-64.3	0	0	0	0	113.5	R658 C673 T683	R658-C685 PolarHBondContact NH2-O 3.38Å; C673-C685 VanDerWaalsContact CA-SG 3.58Å; C673-C685 HydrophobicContact CB-CB 4.37Å; C673-C685 WeakPolarHBondContact CB-SG 3.26Å; C673-C685 PolarHBondContact N-SG 2.66Å; C673-C685 WeakPolarHBondContact SG-CA 3.22Å; C673-C685 WeakPolarHBondContact SG-CB 3.34Å; C673-C685 CovalentContact SG-SG 2.03Å; C673-C685 PolarHBondContact SG-SG 3.38Å; T683-C685 PolarHBondContact O-N 2.87Å

Retrieved 685 of 685 residues in 172.1 ms (Link to these results)

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