A0A023GPN7_DROME Loading...

Uncharacterized protein, isoform L

AlphaFold DB , UniProt , Accession A0A023GPN7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG4678, Length 474 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	40	Very low	35	Very low	228 Å²	228	149.8 Å²	149.8	100%	1.123	83%	0.834	S	S	*	*				0	115	0	-72.3	151.2	168.7	0	0	106.6
2	I	32.2	Very low	34.8	Very low	146 Å²	146	151.5 Å²	151.5	75%	0.749	83%	0.83	S	S	*	*				70.8	86.8	70	-63	171	0	0	0	108.1
3	L	32.8	Very low	34.5	Very low	144 Å²	144	149.9 Å²	149.9	75%	0.754	82%	0.819	S	S	*	*				82.8	138.1	94.4	-75.6	162.3	0	0	0	111.4
4	R	34.2	Very low	34.3	Very low	224 Å²	224	150.6 Å²	150.6	85%	0.845	81%	0.814	S	S	*	*			cis	-156.7	163.1	26.1	-114	150.1	-168.5	-159.5	3.4	113
5	T	36	Very low	34	Very low	124 Å²	124	149.5 Å²	149.5	76%	0.761	81%	0.807	S	S	*	*			trans	-102.4	161.4	154.8	52.4	0	0	0	0	109.9
6	P	49.8	Very low	33.9	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	80%	0.801	S	S	*	*				-137.6	175.5	86.1	27.9	-4.8	0	0	0	112.5
7	L	32.9	Very low	33.8	Very low	158 Å²	158	148.6 Å²	148.6	83%	0.827	80%	0.799	S	S	*	*			cis	62.4	136.7	49.5	-80.4	161.3	0	0	0	112.2
8	V	33.6	Very low	33.7	Very low	136 Å²	136	149.1 Å²	149.1	82%	0.824	80%	0.8	S	S	*	*			cis	-144.9	173.4	30.3	176.1	0	0	0	0	112
9	A	31.9	Very low	34.2	Very low	102 Å²	102	146.8 Å²	146.8	84%	0.843	80%	0.795	S	S	*	*			trans	-79.8	176.6	-177.2	0	0	0	0	0	117.4
10	G	28	Very low	34.1	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	79%	0.789	S	S	*	*			trans	-174.7	128.9	166.1	0	0	0	0	0	114.9
11	H	34.1	Very low	34.1	Very low	194 Å²	194	144 Å²	144	90%	0.898	79%	0.791	S	S	*	*			trans	-108.8	148.9	172.7	-106.2	-18.3	0	0	0	110
12	Q	32.4	Very low	33.5	Very low	170 Å²	170	140 Å²	140	79%	0.794	77%	0.773	S	S	*	*				174.1	153.1	117.7	-93.6	-162.5	-3.6	0	0	113.5
13	L	31	Very low	33.5	Very low	131 Å²	131	141.4 Å²	141.4	69%	0.686	78%	0.781	S	S	*	*			trans	26.4	144.2	149.7	-76.9	57.2	0	0	0	120.4
14	Q	31.4	Very low	33.4	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	78%	0.778	S	S	*	*			cis	-148.3	-153	13.1	-130	166.3	0.6	0	0	109.8
15	L	30.1	Very low	33.1	Very low	134 Å²	134	138 Å²	138	70%	0.702	78%	0.777	S	S	*	*			cis	-152	-172.7	15.5	-161.5	51.8	0	0	0	112
16	L	32	Very low	32.8	Very low	136 Å²	136	139.4 Å²	139.4	71%	0.712	78%	0.779	S	S	*	*			trans	-58.3	166.3	173.8	-55.1	171.2	0	0	0	115.4
17	L	32	Very low	31.9	Very low	147 Å²	147	142 Å²	142	77%	0.77	78%	0.78	S	S	*	*			cis	-163.4	164.9	-10.3	-111.4	169.6	0	0	0	110.5
18	L	31.9	Very low	31.7	Very low	157 Å²	157	142.2 Å²	142.2	82%	0.822	78%	0.782	S	S	*	*			trans	-117.4	177.7	162	-77.1	168	0	0	0	107.9
19	P	44	Very low	31.5	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	78%	0.779	S	S	*	*			cis	-141.9	-161.4	10.4	36.3	-11.6	0	0	0	115.7
20	S	32.1	Very low	31.5	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	78%	0.781	S	S	*	*			trans	68.7	102.3	140.7	61	0	0	0	0	122.4
21	V	33.5	Very low	31.6	Very low	137 Å²	137	147.6 Å²	147.6	83%	0.83	78%	0.779	S	S	*	*				8.9	145.6	112.9	-166.9	0	0	0	0	118.5
22	L	28.2	Very low	31.4	Very low	143 Å²	143	144.7 Å²	144.7	75%	0.749	77%	0.771	S	S	*	*			trans	97.8	99.5	155.9	-152.3	80.6	0	0	0	117.8
23	L	32	Very low	31.5	Very low	176 Å²	176	140.9 Å²	140.9	92%	0.921	77%	0.768	S	S	*	*			trans	-146.5	149.7	139.1	-147.5	73.1	0	0	0	110.9
24	L	29.9	Very low	31.5	Very low	130 Å²	130	142.6 Å²	142.6	68%	0.681	77%	0.77	S	S	*	*			trans	-104.1	159.2	-172.6	-116.1	71.7	0	0	0	112.3
25	M	28.3	Very low	31.6	Very low	167 Å²	167	141.5 Å²	141.5	82%	0.823	77%	0.774	S	S	*	*			trans	47.5	107.5	146.2	-61.2	-69.3	-172.6	0	0	118.9
26	L	30	Very low	31.7	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	78%	0.78	S	S	*	*			trans	-149.7	134	141.4	-149.1	61.7	0	0	0	113.9
27	H	29.9	Very low	31.7	Very low	167 Å²	167	142.6 Å²	142.6	77%	0.773	79%	0.786	S	S	*	*			trans	64.7	90.3	166.2	-64.1	-14.4	0	0	0	120.8
28	L	29.5	Very low	31.8	Very low	163 Å²	163	141.4 Å²	141.4	85%	0.853	79%	0.787	S	S	*	*			trans	-51.3	171	135.7	-94.6	155.2	0	0	0	114
29	L	29.1	Very low	32	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	78%	0.783	S	S	*	*			trans	82.5	102.1	163.4	-67.4	160.1	0	0	0	119
30	L	32.8	Very low	31.6	Very low	167 Å²	167	140.2 Å²	140.2	87%	0.874	79%	0.793	S	S	*	*				-179.6	95.8	127.5	-94.8	161.6	0	0	0	106.5
31	C	28.6	Very low	31.6	Very low	114 Å²	114	140.7 Å²	140.7	77%	0.77	80%	0.796	S	S	*	*				46.3	96.8	85.4	-73.5	0	0	0	0	115
32	D	31.5	Very low	31.4	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	80%	0.796	S	S	*	*			trans	-138.1	146.8	138	-165.6	2.3	0	0	0	107.7	K34	D32-K34 IonicContact OD2-NZ 3.72Å; D32-K34 PolarHBondContact OD2-NZ 3.37Å
33	A	32.8	Very low	31.6	Very low	90 Å²	90	144.4 Å²	144.4	74%	0.744	80%	0.803	S	S	*	*			trans	-145.5	120	-166.8	0	0	0	0	0	111.6
34	K	32.9	Very low	31.5	Very low	166 Å²	166	143.8 Å²	143.8	72%	0.722	80%	0.797	S	S	*	*			trans	-135.3	111.7	-179.7	-71.9	179.9	-179.3	142.7	0	113.7	D32	D32-K34 IonicContact OD2-NZ 3.72Å; D32-K34 PolarHBondContact OD2-NZ 3.37Å
35	T	33.3	Very low	31.5	Very low	137 Å²	137	146.2 Å²	146.2	84%	0.84	81%	0.805	S	S	*	*			trans	55	105.7	142.1	58	0	0	0	0	118.9
36	V	31.2	Very low	31.7	Very low	136 Å²	136	146.6 Å²	146.6	82%	0.824	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86.3	139.1	158.5	173.5	0	0	0	0	109.5
37	N	32.7	Very low	31.8	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-103.8	137.9	160	-97.9	-17.8	0	0	0	109.2
38	P	33.8	Very low	31.8	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.9	133.4	-176.6	33.7	-33	0	0	0	112
39	G	36.4	Very low	31.9	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	81%	0.812	S	S	*	*			trans	149	62.5	169.2	0	0	0	0	0	116.1
40	D	34	Very low	32	Very low	169 Å²	169	149.3 Å²	149.3	90%	0.904	82%	0.816	S	S	*	*			trans	-162.2	158.3	142.4	-109.5	-29.2	0	0	0	111.9
41	S	32.9	Very low	32.1	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	81%	0.812	S	S	*	*			trans	-92.8	110.4	-163.1	53	0	0	0	0	115.2	Q43	S41-Q43 PolarHBondContact O-N 3.28Å
42	M	29.7	Very low	32.6	Very low	171 Å²	171	148.9 Å²	148.9	84%	0.842	82%	0.815	S	S	*	*			trans	6	106.9	151.9	-171.3	-179.7	76	0	0	117.9
43	Q	31.2	Very low	33	Very low	188 Å²	188	148.1 Å²	148.1	88%	0.879	82%	0.817	S	S	*	*			trans	-123.9	120.3	147.8	-69.3	-168.3	-0	0	0	109.1	S41 Q45	S41-Q43 PolarHBondContact O-N 3.28Å; Q43-Q45 PolarHBondContact O-N 3.37Å
44	M	30.3	Very low	33.1	Very low	162 Å²	162	147 Å²	147	80%	0.798	82%	0.815	S	S	*	*			trans	-82.2	114.5	175.8	-69.5	-149.7	-55.4	0	0	110.7
45	Q	31.2	Very low	33.4	Very low	181 Å²	181	147.1 Å²	147.1	85%	0.846	82%	0.822	S	S	*	*			trans	-81.6	124.5	162.4	-69.2	-177.8	-15.4	0	0	109.3	Q43 H47	Q43-Q45 PolarHBondContact O-N 3.37Å; Q45-H47 PolarHBondContact O-N 3.23Å
46	H	32.4	Very low	33.6	Very low	175 Å²	175	146.5 Å²	146.5	81%	0.81	82%	0.82	S	S	*	*			trans	-71	113.6	168.9	-104.2	20.6	0	0	0	109.4	Q48	H46-Q48 PolarHBondContact O-N 3.17Å
47	H	30.4	Very low	34	Very low	193 Å²	193	148 Å²	148	89%	0.894	82%	0.819	S	S	*	*			trans	-84.5	94.1	174.6	-142.4	74.2	0	0	0	108.9	Q45	Q45-H47 PolarHBondContact O-N 3.23Å
48	Q	31	Very low	34.4	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.4	128.8	-177.4	-165.6	165.8	2.7	0	0	110.4	H46 T50	H46-Q48 PolarHBondContact O-N 3.17Å; Q48-T50 PolarHBondContact O-N 3.47Å
49	M	32.4	Very low	34.6	Very low	181 Å²	181	151.6 Å²	151.6	89%	0.892	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.4	127.2	-176.6	-70.4	168.9	-81.5	0	0	111.4	A51	M49-A51 PolarHBondContact O-N 3.14Å
50	T	30.7	Very low	34.8	Very low	141 Å²	141	151.9 Å²	151.9	87%	0.865	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.7	119.2	174.5	48.9	0	0	0	0	110.4	Q48	Q48-T50 PolarHBondContact O-N 3.47Å
51	A	35.3	Very low	35.4	Very low	94 Å²	94	145.8 Å²	145.8	78%	0.777	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-77.3	152.7	168.7	0	0	0	0	0	111.2	M49	M49-A51 PolarHBondContact O-N 3.14Å
52	E	38.2	Very low	35.9	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-55.5	142.3	168.9	-73.8	-69.6	151.3	0	0	111.2	G54	E52-G54 PolarHBondContact O-N 3Å
53	P	39.2	Very low	36.6	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	76%	0.756	S	S	*	*			trans	-71.6	103.7	176.8	28.7	-31.8	0	0	0	110.4
54	G	35.6	Very low	37.6	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-60.2	158.1	171.9	0	0	0	0	0	112.8	E52	E52-G54 PolarHBondContact O-N 3Å
55	L	39.4	Very low	38.7	Very low	168 Å²	168	130.1 Å²	130.1	88%	0.88	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-55.9	140.8	173.3	-72.3	165.3	0	0	0	110.4	E57	L55-E57 PolarHBondContact O-N 3.12Å; L55-E57 VanDerWaalsContact O-N 3.17Å
56	P	38.5	Very low	40	Very low	123 Å²	123	128 Å²	128	80%	0.799	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-63.1	118.6	179.2	-22.1	33.4	0	0	0	112
57	E	38.4	Very low	42.1	Very low	169 Å²	169	124.8 Å²	124.8	79%	0.79	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-53.3	143.7	161.3	-78.1	-74.9	148.8	0	0	110	L55 R59	L55-E57 PolarHBondContact O-N 3.12Å; L55-E57 VanDerWaalsContact O-N 3.17Å; E57-R59 PolarHBondContact O-N 2.89Å
58	P	41.2	Very low	45	Very low	120 Å²	120	115.7 Å²	115.7	78%	0.779	64%	0.635	S	S	*	*			trans	-62.9	104.5	179	25.7	-33.3	0	0	0	110.4	A60	P58-A60 PolarHBondContact O-N 3.48Å; P58-A60 VanDerWaalsContact O-N 3.13Å
59	R	39.3	Very low	48	Very low	233 Å²	233	110.6 Å²	110.6	88%	0.879	61%	0.613	S	S	*	*			trans	-63.4	113.4	-176.5	-174.8	176.3	-176.2	156.6	-0.8	110.2	E57 Y61	E57-R59 PolarHBondContact O-N 2.89Å; R59-Y61 PolarHBondContact O-N 2.96Å
60	A	40.4	Very low	51.1	Low	77 Å²	77	104.5 Å²	104.5	64%	0.636	58%	0.582	S	S	*	*			trans	-54	132.3	176.1	0	0	0	0	0	111.2	P58 M62	P58-A60 PolarHBondContact O-N 3.48Å; P58-A60 VanDerWaalsContact O-N 3.13Å; A60-M62 PolarHBondContact O-N 3.45Å
61	Y	45.2	Very low	54.3	Low	41 Å²	41	100.6 Å²	100.6	16%	0.161	56%	0.557	C	S	.	*			trans	-58.4	108.1	-176.5	174.2	-105.5	0	0	0	111.5	R59 P63 H73 E77	R59-Y61 PolarHBondContact O-N 2.96Å; Y61-P63 HydrophobicContact CE1-CB 3.85Å; Y61-P63 HydrophobicContact CE1-CG 4.02Å; Y61-H73 AromaticContact CE2-CD2 3.71Å; Y61-H73 AromaticContact CE2-NE2 3.44Å; Y61-H73 WeakPolarHBondContact CE2-NE2 3.33Å; Y61-H73 AromaticContact CZ-CD2 3.68Å; Y61-H73 AromaticContact CZ-NE2 3.77Å; Y61-E77 HydrophobicContact CD1-CB 4.45Å; Y61-E77 HydrophobicContact CD1-CG 3.96Å; Y61-E77 HydrophobicContact CE1-CB 4.2Å; Y61-E77 HydrophobicContact CE1-CG 4.2Å
62	M	43.4	Very low	57.3	Low	152 Å²	152	97.4 Å²	97.4	75%	0.749	53%	0.525	S	S	*	.			trans	-107.5	103.1	171	-71.4	-164	-179.9	0	0	108.4	A60 D64	A60-M62 PolarHBondContact O-N 3.45Å; M62-D64 PolarHBondContact O-N 2.97Å
63	P	45.8	Very low	60.1	Low	52 Å²	52	89 Å²	89	34%	0.338	49%	0.486	S	S	.	.			trans	-72.4	92.6	-176.8	28.2	-34.4	0	0	0	111.3	Y61 A65	Y61-P63 HydrophobicContact CE1-CB 3.85Å; Y61-P63 HydrophobicContact CE1-CG 4.02Å; P63-A65 VanDerWaalsContact C-N 3.35Å; P63-A65 PolarHBondContact O-N 3Å; P63-A65 VanDerWaalsContact O-N 3.09Å
64	D	52.3	Low	63	Low	87 Å²	87	86.7 Å²	86.7	47%	0.465	47%	0.467	S	S	.	.			trans	-67.4	101.1	150.5	178.9	4.6	0	0	0	107.4	M62 Q66 H67	M62-D64 PolarHBondContact O-N 2.97Å; D64-Q66 PolarHBondContact O-N 3.22Å; D64-Q66 PolarHBondContact OD1-N 2.98Å; D64-H67 CarbonylContact O-C 3.59Å; D64-H67 PolarHBondContact O-N 3.21Å
65	A	52.6	Low	66	Low	9 Å²	9	84.9 Å²	84.9	7%	0.074	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	18.8	179.8	0	0	0	0	0	114.6	P63 R88	P63-A65 VanDerWaalsContact C-N 3.35Å; P63-A65 PolarHBondContact O-N 3Å; P63-A65 VanDerWaalsContact O-N 3.09Å; A65-R88 PolarHBondContact O-NH1 3.17Å
66	Q	58.3	Low	68.7	Low	137 Å²	137	83.1 Å²	83.1	64%	0.64	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-27.6	155.4	-63.3	-166.9	51.5	0	0	112.8	D64	D64-Q66 PolarHBondContact O-N 3.22Å; D64-Q66 PolarHBondContact OD1-N 2.98Å
67	H	75.9	Confident	71.6	Confident	107 Å²	107	79.4 Å²	79.4	50%	0.495	40%	0.4	S	S	.	.			trans	-134.3	116.8	-176.4	-163.2	62.6	0	0	0	111.4	D64 D69	D64-H67 CarbonylContact O-C 3.59Å; D64-H67 PolarHBondContact O-N 3.21Å; H67-D69 IonicContact CD2-OD1 3.86Å
68	L	92.6	Very high	74.4	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	36%	0.362	C	S	.	.			trans	-87.1	116.2	168.9	-173.5	67.2	0	0	0	106.8	H73 F81 L144 H145 Q148	L68-H73 VanDerWaalsContact CD1-CE1 3.47Å; L68-H73 WeakPolarHBondContact CD1-CE1 3.46Å; L68-H73 VanDerWaalsContact CD1-NE2 3.29Å; L68-H73 WeakPolarHBondContact CD1-NE2 3.35Å; L68-F81 HydrophobicContact CB-CE2 4.36Å; L68-F81 HydrophobicContact CD1-CD2 3.69Å; L68-F81 HydrophobicContact CD1-CE2 4.03Å; L68-F81 HydrophobicContact CD1-CG 4.03Å; L68-F81 HydrophobicContact CD2-CE1 4.32Å; L68-F81 HydrophobicContact CD2-CE2 4.2Å; L68-F81 HydrophobicContact CD2-CZ 4.08Å; L68-F81 HydrophobicContact CG-CE2 4.45Å; L68-L144 HydrophobicContact CD2-CB 3.52Å; L68-H145 PolarHBondContact O-CE1 3.36Å; L68-H145 VanDerWaalsContact O-CE1 3.31Å; L68-Q148 VanDerWaalsContact CB-OE1 3.31Å; L68-Q148 VanDerWaalsContact N-CD 3.32Å
69	D	94.2	Very high	77.2	Confident	67 Å²	67	66.3 Å²	66.3	36%	0.358	33%	0.329	S	S	.	.			trans	-61.4	145.7	177.5	-71.4	-43.3	0	0	0	110.6	H67 V71 H73	H67-D69 IonicContact CD2-OD1 3.86Å; D69-V71 HydrophobicContact CB-CG1 4.31Å; D69-V71 HydrophobicContact CB-CG2 4.05Å; D69-V71 PolarHBondContact O-N 3.49Å; D69-H73 PolarHBondContact O-CE1 3.35Å
70	F	96.6	Very high	80	Confident	53 Å²	53	60 Å²	60	23%	0.232	31%	0.306	C	S	.	.	S	Bend	trans	-78.3	68.1	175.1	-74.7	-75.2	0	0	0	110.8	H145 L346 K347 W350	F70-H145 AromaticContact CD1-CD2 3.86Å; F70-H145 AromaticContact CD1-CE1 3.38Å; F70-H145 WeakPolarHBondContact CD1-CE1 3.47Å; F70-H145 AromaticContact CD1-NE2 3.18Å; F70-H145 WeakPolarHBondContact CD1-NE2 3.35Å; F70-H145 AromaticContact CE1-CD2 3.65Å; F70-H145 AromaticContact CE1-CE1 3.39Å; F70-H145 WeakPolarHBondContact CE1-CE1 3.37Å; F70-H145 AromaticContact CE1-CG 3.79Å; F70-H145 AromaticContact CE1-ND1 3.62Å; F70-H145 AromaticContact CE1-NE2 3.4Å; F70-H145 WeakPolarHBondContact CE1-NE2 3.33Å; F70-H145 AromaticContact CG-CE1 3.91Å; F70-H145 AromaticContact CZ-CE1 3.94Å; F70-H145 AromaticContact CZ-ND1 3.94Å; F70-L346 HydrophobicContact CB-CB 4.22Å; F70-L346 HydrophobicContact CD1-CB 4.16Å; F70-K347 HydrophobicContact CB-CB 4.23Å; F70-K347 VanDerWaalsContact CD1-CA 3.49Å; F70-K347 HydrophobicContact CD1-CB 3.95Å; F70-K347 HydrophobicContact CD2-CB 3.8Å; F70-K347 HydrophobicContact CD2-CD 4.28Å; F70-K347 HydrophobicContact CD2-CG 3.98Å; F70-K347 HydrophobicContact CE1-CB 4.26Å; F70-K347 HydrophobicContact CE2-CB 4.11Å; F70-K347 HydrophobicContact CE2-CD 4.28Å; F70-K347 HydrophobicContact CE2-CG 3.85Å; F70-K347 HydrophobicContact CG-CB 3.71Å; F70-K347 HydrophobicContact CG-CG 4.37Å; F70-K347 HydrophobicContact CZ-CB 4.33Å; F70-K347 HydrophobicContact CZ-CG 4.14Å; F70-W350 HydrophobicContact CE1-CB 3.61Å; F70-W350 AromaticContact CE1-CG 3.89Å; F70-W350 HydrophobicContact CE1-CG 3.89Å; F70-W350 HydrophobicContact CZ-CB 4.14Å; F70-W350 AromaticContact CZ-CD1 3.84Å; F70-W350 HydrophobicContact CZ-CG 4.02Å
71	V	97.4	Very high	82.7	Confident	58 Å²	58	56.5 Å²	56.5	35%	0.352	28%	0.276	S	S	.	.	S	Bend	trans	-128.3	169.3	177	-62.7	0	0	0	0	110.3	D69 H73 L346	D69-V71 HydrophobicContact CB-CG1 4.31Å; D69-V71 HydrophobicContact CB-CG2 4.05Å; D69-V71 PolarHBondContact O-N 3.49Å; V71-H73 PolarHBondContact O-CE1 3.05Å; V71-H73 PolarHBondContact O-ND1 3.06Å; V71-L346 VanDerWaalsContact C-CD1 3.46Å; V71-L346 WeakPolarHBondContact O-CD1 3.39Å
72	Y	98.5	Very high	85.2	Confident	27 Å²	27	54.6 Å²	54.6	11%	0.106	27%	0.269	C	S	.	.			trans	-83.5	121.6	171.9	-74.8	-67.4	0	0	0	110.7	P137 E141 E185 F340 P341 A343 L346	Y72-P137 HydrophobicContact CD1-CB 4.1Å; Y72-P137 HydrophobicContact CD1-CG 4.23Å; Y72-P137 HydrophobicContact CE1-CB 3.8Å; Y72-P137 HydrophobicContact CE1-CG 3.6Å; Y72-E141 HydrophobicContact CD1-CG 3.72Å; Y72-E141 HydrophobicContact CE1-CG 4.01Å; Y72-E185 HydrophobicContact CD2-CG 4.38Å; Y72-E185 HydrophobicContact CE2-CG 4.11Å; Y72-F340 AromaticContact CD1-CE2 3.94Å; Y72-F340 HydrophobicContact CD1-CE2 3.94Å; Y72-F340 HydrophobicContact CD1-CZ 4.45Å; Y72-F340 HydrophobicContact CD2-CD2 4.49Å; Y72-F340 AromaticContact CD2-CE2 3.64Å; Y72-F340 HydrophobicContact CD2-CE2 3.64Å; Y72-F340 HydrophobicContact CD2-CZ 4.49Å; Y72-F340 HydrophobicContact CE1-CD2 4.13Å; Y72-F340 AromaticContact CE1-CE2 3.79Å; Y72-F340 HydrophobicContact CE1-CE2 3.79Å; Y72-F340 AromaticContact CE2-CD2 3.88Å; Y72-F340 HydrophobicContact CE2-CD2 3.88Å; Y72-F340 AromaticContact CE2-CE2 3.48Å; Y72-F340 HydrophobicContact CE2-CE2 3.48Å; Y72-F340 VanDerWaalsContact CE2-CE2 3.48Å; Y72-F340 AromaticContact CG-CE2 3.86Å; Y72-F340 HydrophobicContact CG-CE2 3.86Å; Y72-F340 HydrophobicContact CG-CZ 4.38Å; Y72-F340 AromaticContact CZ-CD2 3.67Å; Y72-F340 AromaticContact CZ-CE2 3.54Å; Y72-P341 WeakPolarHBondContact CE2-O 3.33Å; Y72-P341 VanDerWaalsContact OH-CD 3.3Å; Y72-P341 WeakPolarHBondContact OH-CD 3.43Å; Y72-P341 WeakPolarHBondContact OH-CG 3.02Å; Y72-P341 PolarHBondContact OH-O 3.46Å; Y72-A343 HydrophobicContact CD2-CB 3.88Å; Y72-A343 HydrophobicContact CE2-CB 4.03Å; Y72-L346 HydrophobicContact CD1-CD1 4.15Å; Y72-L346 HydrophobicContact CD2-CD1 4.15Å; Y72-L346 HydrophobicContact CE1-CD1 4.04Å; Y72-L346 HydrophobicContact CE1-CD2 3.8Å; Y72-L346 HydrophobicContact CE1-CG 4.36Å; Y72-L346 HydrophobicContact CE2-CD1 4.04Å; Y72-L346 HydrophobicContact CE2-CG 4.4Å; Y72-L346 HydrophobicContact CG-CD1 4.2Å
73	H	98.3	Very high	87.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.			trans	-94.7	127.5	-177.2	-61.8	90.6	0	0	0	110.3	Y61 L68 D69 V71 E77 R140 E141 L144 Y180	Y61-H73 AromaticContact CE2-CD2 3.71Å; Y61-H73 AromaticContact CE2-NE2 3.44Å; Y61-H73 WeakPolarHBondContact CE2-NE2 3.33Å; Y61-H73 AromaticContact CZ-CD2 3.68Å; Y61-H73 AromaticContact CZ-NE2 3.77Å; L68-H73 VanDerWaalsContact CD1-CE1 3.47Å; L68-H73 WeakPolarHBondContact CD1-CE1 3.46Å; L68-H73 VanDerWaalsContact CD1-NE2 3.29Å; L68-H73 WeakPolarHBondContact CD1-NE2 3.35Å; D69-H73 PolarHBondContact O-CE1 3.35Å; V71-H73 PolarHBondContact O-CE1 3.05Å; V71-H73 PolarHBondContact O-ND1 3.06Å; H73-E77 HydrophobicContact CB-CB 4.04Å; H73-R140 VanDerWaalsContact O-CZ 3.24Å; H73-R140 PolarHBondContact O-NE 3.23Å; H73-R140 PolarHBondContact O-NH2 2.82Å; H73-E141 IonicContact CE1-OE2 2.64Å; H73-E141 IonicContact CG-OE2 2.65Å; H73-E141 PolarHBondContact N-OE1 2.77Å; H73-E141 IonicContact ND1-OE2 3.65Å; H73-E141 PolarHBondContact ND1-OE2 2.92Å; H73-L144 HydrophobicContact CB-CD1 4.13Å; H73-Y180 PolarHBondContact O-OH 2.93Å
74	D	98.3	Very high	90.3	Very high	71 Å²	71	53 Å²	53	38%	0.38	26%	0.256	S	S	.	.			trans	-67.7	-178.5	173.5	95.5	-5.7	0	0	0	112.7	E76 E77 L78 R140	D74-E76 VanDerWaalsContact C-N 3.35Å; D74-E76 WeakPolarHBondContact OD1-CA 3.42Å; D74-E76 WeakPolarHBondContact OD1-CB 3.48Å; D74-E76 PolarHBondContact OD1-N 2.85Å; D74-E77 PolarHBondContact N-OE2 2.91Å; D74-E77 PolarHBondContact OD1-N 3.2Å; D74-L78 WeakPolarHBondContact O-CB 3.29Å; D74-L78 PolarHBondContact O-N 3.24Å; D74-R140 PolarHBondContact O-NH2 2.62Å
75	H	98.4	Very high	92.4	Very high	30 Å²	30	49 Å²	49	14%	0.139	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-31.5	-179.2	-177	64	0	0	0	113.2	T79 D106 W108	H75-T79 VanDerWaalsContact O-CB 3.23Å; H75-T79 WeakPolarHBondContact O-CB 3.49Å; H75-T79 PolarHBondContact O-N 3.13Å; H75-T79 PolarHBondContact O-OG1 3.23Å; H75-D106 PolarHBondContact CE1-O 2.79Å; H75-D106 VanDerWaalsContact CE1-O 3.27Å; H75-D106 PolarHBondContact NE2-N 2.95Å; H75-W108 AromaticContact CE1-CD1 3.96Å; H75-W108 AromaticContact CE1-NE1 3.95Å
76	E	98.1	Very high	94.6	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	24%	0.238	S	C	*	.	H	α-helix	trans	-75.6	-41.7	176	-61.9	-163.5	-176.5	0	0	111.5	D74 T79 R80	D74-E76 VanDerWaalsContact C-N 3.35Å; D74-E76 WeakPolarHBondContact OD1-CA 3.42Å; D74-E76 WeakPolarHBondContact OD1-CB 3.48Å; D74-E76 PolarHBondContact OD1-N 2.85Å; E76-T79 PolarHBondContact O-N 2.86Å; E76-R80 WeakPolarHBondContact O-CB 3.41Å; E76-R80 PolarHBondContact O-N 3.4Å; E76-R80 IonicContact OE2-NH2 3.58Å
77	E	97.9	Very high	96.4	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-46.6	175.5	-70.6	172.6	146.9	0	0	111.7	Y61 H73 D74 R80 F81	Y61-E77 HydrophobicContact CD1-CB 4.45Å; Y61-E77 HydrophobicContact CD1-CG 3.96Å; Y61-E77 HydrophobicContact CE1-CB 4.2Å; Y61-E77 HydrophobicContact CE1-CG 4.2Å; H73-E77 HydrophobicContact CB-CB 4.04Å; D74-E77 PolarHBondContact N-OE2 2.91Å; D74-E77 PolarHBondContact OD1-N 3.2Å; E77-R80 VanDerWaalsContact CG-NH1 3.33Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.13Å; E77-F81 WeakPolarHBondContact O-CB 3.47Å; E77-F81 PolarHBondContact O-N 2.79Å
78	L	98.4	Very high	97.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.7	-48.5	171.1	178.6	157.2	0	0	0	110.8	D74 R80 F81 L82 R140 L144 P173 T174	D74-L78 WeakPolarHBondContact O-CB 3.29Å; D74-L78 PolarHBondContact O-N 3.24Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 3.31Å; L78-F81 PolarHBondContact O-N 2.91Å; L78-L82 HydrophobicContact CD2-CD1 3.61Å; L78-L82 HydrophobicContact CD2-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.38Å; L78-L82 WeakPolarHBondContact O-CG 3.28Å; L78-L82 PolarHBondContact O-N 3.08Å; L78-R140 HydrophobicContact CD1-CG 4.19Å; L78-L144 HydrophobicContact CB-CD1 4.38Å; L78-L144 HydrophobicContact CD1-CD1 4.22Å; L78-L144 HydrophobicContact CD1-CD2 4.25Å; L78-L144 HydrophobicContact CG-CD1 4.15Å; L78-L144 HydrophobicContact CG-CD2 4.08Å; L78-P173 HydrophobicContact CD1-CB 4.22Å; L78-T174 HydrophobicContact CD1-CG2 3.8Å
79	T	98.6	Very high	97.6	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-39.1	178.2	-62.9	0	0	0	0	111.7	H75 E76 R83 W108	H75-T79 VanDerWaalsContact O-CB 3.23Å; H75-T79 WeakPolarHBondContact O-CB 3.49Å; H75-T79 PolarHBondContact O-N 3.13Å; H75-T79 PolarHBondContact O-OG1 3.23Å; E76-T79 PolarHBondContact O-N 2.86Å; T79-R83 HydrophobicContact CG2-CG 4.48Å; T79-R83 WeakPolarHBondContact O-CB 3.43Å; T79-R83 VanDerWaalsContact O-CG 3.25Å; T79-R83 WeakPolarHBondContact O-CG 3.31Å; T79-R83 PolarHBondContact O-N 2.93Å; T79-W108 HydrophobicContact CG2-CZ2 4Å; T79-W108 PolarHBondContact OG1-NE1 2.63Å
80	R	98	Very high	97.7	Very high	101 Å²	101	49.4 Å²	49.4	38%	0.381	25%	0.246	S	C	.	.	H	α-helix	trans	-67.3	-46.1	178.8	-167.5	-177.9	-54.4	123	8.5	111	E76 E77 L78 A84	E76-R80 WeakPolarHBondContact O-CB 3.41Å; E76-R80 PolarHBondContact O-N 3.4Å; E76-R80 IonicContact OE2-NH2 3.58Å; E77-R80 VanDerWaalsContact CG-NH1 3.33Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.13Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 3.31Å; R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.67Å
81	F	97.8	Very high	97.8	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-48.8	174.7	165.9	-104.5	0	0	0	112.1	L68 E77 L78 R83 A84 T85 L144 I147 Q148	L68-F81 HydrophobicContact CB-CE2 4.36Å; L68-F81 HydrophobicContact CD1-CD2 3.69Å; L68-F81 HydrophobicContact CD1-CE2 4.03Å; L68-F81 HydrophobicContact CD1-CG 4.03Å; L68-F81 HydrophobicContact CD2-CE1 4.32Å; L68-F81 HydrophobicContact CD2-CE2 4.2Å; L68-F81 HydrophobicContact CD2-CZ 4.08Å; L68-F81 HydrophobicContact CG-CE2 4.45Å; E77-F81 WeakPolarHBondContact O-CB 3.47Å; E77-F81 PolarHBondContact O-N 2.79Å; L78-F81 PolarHBondContact O-N 2.91Å; F81-R83 PolarHBondContact O-N 3.2Å; F81-A84 PolarHBondContact O-N 2.93Å; F81-T85 WeakPolarHBondContact CE2-OG1 3.1Å; F81-T85 VanDerWaalsContact O-CB 3.3Å; F81-T85 WeakPolarHBondContact O-CB 3.49Å; F81-T85 PolarHBondContact O-N 2.86Å; F81-T85 PolarHBondContact O-OG1 3Å; F81-L144 HydrophobicContact CD1-CB 4.29Å; F81-L144 HydrophobicContact CD1-CD1 4.41Å; F81-L144 HydrophobicContact CD1-CD2 4.02Å; F81-L144 HydrophobicContact CD1-CG 4.47Å; F81-L144 HydrophobicContact CE1-CB 3.91Å; F81-L144 HydrophobicContact CE1-CD2 4.05Å; F81-L144 HydrophobicContact CE1-CG 4.46Å; F81-L144 WeakPolarHBondContact CZ-O 3.29Å; F81-I147 HydrophobicContact CE1-CB 4.45Å; F81-I147 HydrophobicContact CE1-CG2 4.25Å; F81-I147 HydrophobicContact CZ-CG2 4.24Å; F81-Q148 HydrophobicContact CE2-CB 4.38Å; F81-Q148 HydrophobicContact CZ-CB 4.1Å
82	L	98.4	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-44.3	180	-67.2	-176.8	0	0	0	111.5	L78 T85 S86 L95 W108 M110 L144 I147 P173	L78-L82 HydrophobicContact CD2-CD1 3.61Å; L78-L82 HydrophobicContact CD2-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.38Å; L78-L82 WeakPolarHBondContact O-CG 3.28Å; L78-L82 PolarHBondContact O-N 3.08Å; L82-T85 PolarHBondContact O-N 2.85Å; L82-S86 WeakPolarHBondContact O-CB 3.27Å; L82-S86 PolarHBondContact O-N 3.33Å; L82-L95 HydrophobicContact CB-CD1 3.95Å; L82-L95 HydrophobicContact CB-CD2 3.92Å; L82-L95 HydrophobicContact CD1-CD1 4.05Å; L82-W108 HydrophobicContact CD1-CB 3.55Å; L82-W108 HydrophobicContact CD1-CG 4.09Å; L82-M110 HydrophobicContact CB-CE 3.99Å; L82-M110 HydrophobicContact CD2-CB 4.33Å; L82-M110 HydrophobicContact CD2-CE 3.85Å; L82-M110 HydrophobicContact CG-CE 4.5Å; L82-M110 VanDerWaalsContact O-CE 3.22Å; L82-M110 WeakPolarHBondContact O-CE 3.42Å; L82-L144 HydrophobicContact CD2-CD2 4.06Å; L82-I147 HydrophobicContact CD2-CD1 3.6Å; L82-P173 HydrophobicContact CD1-CG 4.44Å
83	R	98.1	Very high	97.8	Very high	134 Å²	134	49.8 Å²	49.8	51%	0.506	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.8	-72.8	175.5	-178.8	178.5	1.7	112.3	T79 F81 S86 A87 L95	T79-R83 HydrophobicContact CG2-CG 4.48Å; T79-R83 WeakPolarHBondContact O-CB 3.43Å; T79-R83 VanDerWaalsContact O-CG 3.25Å; T79-R83 WeakPolarHBondContact O-CG 3.31Å; T79-R83 PolarHBondContact O-N 2.93Å; F81-R83 PolarHBondContact O-N 3.2Å; R83-S86 PolarHBondContact O-N 3.13Å; R83-A87 WeakPolarHBondContact O-CB 3.39Å; R83-A87 PolarHBondContact O-N 2.76Å; R83-L95 HydrophobicContact CB-CD2 4.36Å; R83-L95 HydrophobicContact CG-CD2 3.59Å
84	A	97.1	Very high	97.8	Very high	37 Å²	37	50.3 Å²	50.3	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-40.9	177.1	0	0	0	0	0	112	R80 F81 A87 R88	R80-A84 WeakPolarHBondContact O-CB 3.46Å; R80-A84 PolarHBondContact O-N 2.67Å; F81-A84 PolarHBondContact O-N 2.93Å; A84-A87 PolarHBondContact O-N 2.76Å; A84-R88 VanDerWaalsContact O-CB 3.26Å; A84-R88 WeakPolarHBondContact O-CB 3.37Å; A84-R88 PolarHBondContact O-N 2.94Å
85	T	97.2	Very high	97.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-48.3	174.4	-63.2	0	0	0	0	111.2	F81 L82 A87 R88 Y89 T93 M110 I147 V151	F81-T85 WeakPolarHBondContact CE2-OG1 3.1Å; F81-T85 VanDerWaalsContact O-CB 3.3Å; F81-T85 WeakPolarHBondContact O-CB 3.49Å; F81-T85 PolarHBondContact O-N 2.86Å; F81-T85 PolarHBondContact O-OG1 3Å; L82-T85 PolarHBondContact O-N 2.85Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.89Å; T85-R88 PolarHBondContact O-N 3.48Å; T85-R88 VanDerWaalsContact O-N 3.14Å; T85-Y89 HydrophobicContact CG2-CD2 4.17Å; T85-Y89 PolarHBondContact O-N 2.73Å; T85-T93 HydrophobicContact CG2-CG2 4.48Å; T85-M110 HydrophobicContact CG2-CE 4.25Å; T85-I147 HydrophobicContact CG2-CG2 3.94Å; T85-V151 HydrophobicContact CG2-CG1 4.29Å; T85-V151 HydrophobicContact CG2-CG2 4.21Å
86	S	97.6	Very high	97.8	Very high	22 Å²	22	50.3 Å²	50.3	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-36.7	-179.8	-170.5	0	0	0	0	113	L82 R83 T93	L82-S86 WeakPolarHBondContact O-CB 3.27Å; L82-S86 PolarHBondContact O-N 3.33Å; R83-S86 PolarHBondContact O-N 3.13Å; S86-T93 WeakPolarHBondContact CA-OG1 3.38Å
87	A	97.1	Very high	97.9	Very high	84 Å²	84	46 Å²	46	69%	0.694	24%	0.236	S	C	*	.	H	α-helix	trans	-70.6	-29.2	174.1	0	0	0	0	0	113.5	R83 A84 T85	R83-A87 WeakPolarHBondContact O-CB 3.39Å; R83-A87 PolarHBondContact O-N 2.76Å; A84-A87 PolarHBondContact O-N 2.76Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.89Å
88	R	96.1	Very high	97.9	Very high	120 Å²	120	44.9 Å²	44.9	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-84	-32.6	179.7	-177	175.1	-74.4	-160.5	-3.7	113.1	A65 A84 T85 P90	A65-R88 PolarHBondContact O-NH1 3.17Å; A84-R88 VanDerWaalsContact O-CB 3.26Å; A84-R88 WeakPolarHBondContact O-CB 3.37Å; A84-R88 PolarHBondContact O-N 2.94Å; T85-R88 PolarHBondContact O-N 3.48Å; T85-R88 VanDerWaalsContact O-N 3.14Å; R88-P90 WeakPolarHBondContact O-CD 3.39Å
89	Y	97	Very high	97.9	Very high	55 Å²	55	45.9 Å²	45.9	22%	0.216	24%	0.242	C	C	.	.			trans	-124.4	50.9	-175.5	-58.6	-83	0	0	0	113.1	T85 N91 L92 T93 V151	T85-Y89 HydrophobicContact CG2-CD2 4.17Å; T85-Y89 PolarHBondContact O-N 2.73Å; Y89-N91 PolarHBondContact O-N 2.74Å; Y89-L92 PolarHBondContact O-N 3.07Å; Y89-T93 PolarHBondContact O-N 3.06Å; Y89-T93 PolarHBondContact O-OG1 2.89Å; Y89-V151 HydrophobicContact CD1-CB 3.94Å; Y89-V151 HydrophobicContact CD1-CG2 4.46Å; Y89-V151 HydrophobicContact CD2-CB 3.78Å; Y89-V151 HydrophobicContact CD2-CG1 4.31Å; Y89-V151 HydrophobicContact CD2-CG2 3.61Å; Y89-V151 HydrophobicContact CE1-CB 4.2Å; Y89-V151 HydrophobicContact CE1-CG2 4.4Å; Y89-V151 WeakPolarHBondContact CE1-O 3.25Å; Y89-V151 HydrophobicContact CE2-CB 4.05Å; Y89-V151 HydrophobicContact CE2-CG2 3.52Å; Y89-V151 HydrophobicContact CG-CB 3.72Å; Y89-V151 HydrophobicContact CG-CG1 4.19Å; Y89-V151 HydrophobicContact CG-CG2 4.1Å
90	P	97.4	Very high	97.9	Very high	49 Å²	49	49.9 Å²	49.9	32%	0.318	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.2	-173.2	26.2	-35.8	0	0	0	113.2	R88 L92 Y117	R88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-L92 PolarHBondContact O-N 2.63Å; P90-Y117 WeakPolarHBondContact O-CE2 3.44Å; P90-Y117 PolarHBondContact O-OH 2.94Å
91	N	97.3	Very high	98	Very high	134 Å²	134	45.4 Å²	45.4	72%	0.717	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-13.4	177	-62.7	0.4	0	0	0	113.6	Y89	Y89-N91 PolarHBondContact O-N 2.74Å
92	L	98.1	Very high	98	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-10.5	-179.2	-63.7	180	0	0	0	113.6	Y89 P90 V112 S113 Y154	Y89-L92 PolarHBondContact O-N 3.07Å; P90-L92 PolarHBondContact O-N 2.63Å; L92-V112 WeakPolarHBondContact O-CA 3.23Å; L92-S113 CarbonylContact C-O 3.5Å; L92-S113 VanDerWaalsContact C-O 3.28Å; L92-S113 VanDerWaalsContact CA-O 3.26Å; L92-S113 WeakPolarHBondContact CA-O 3.43Å; L92-S113 PolarHBondContact O-N 3.04Å; L92-Y154 HydrophobicContact CD1-CD1 3.74Å; L92-Y154 HydrophobicContact CD1-CG 3.78Å; L92-Y154 HydrophobicContact CD2-CD1 3.74Å; L92-Y154 HydrophobicContact CD2-CD2 4.01Å; L92-Y154 HydrophobicContact CD2-CE1 3.78Å; L92-Y154 HydrophobicContact CD2-CE2 4.06Å; L92-Y154 HydrophobicContact CD2-CG 3.84Å; L92-Y154 HydrophobicContact CG-CD1 4.32Å; L92-Y154 HydrophobicContact CG-CG 4.48Å
93	T	98.7	Very high	98	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.4	-168.4	58.2	0	0	0	0	114.7	T85 S86 Y89 M110 V111 V112 V151	T85-T93 HydrophobicContact CG2-CG2 4.48Å; S86-T93 WeakPolarHBondContact CA-OG1 3.38Å; Y89-T93 PolarHBondContact O-N 3.06Å; Y89-T93 PolarHBondContact O-OG1 2.89Å; T93-M110 HydrophobicContact CG2-SD 4.07Å; T93-V111 VanDerWaalsContact CA-O 3.22Å; T93-V111 WeakPolarHBondContact CA-O 3.47Å; T93-V112 HydrophobicContact CG2-CG1 4.31Å; T93-V112 HydrophobicContact CG2-CG2 4.4Å; T93-V151 HydrophobicContact CG2-CG1 3.48Å; T93-V151 VanDerWaalsContact CG2-CG1 3.48Å
94	A	98.6	Very high	98.1	Very high	11 Å²	11	48.1 Å²	48.1	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.1	170.7	0	0	0	0	0	109.7	V111 P116 Y117	A94-V111 HydrophobicContact CB-CB 4.22Å; A94-V111 HydrophobicContact CB-CG2 4.17Å; A94-V111 PolarHBondContact N-O 3.31Å; A94-V111 PolarHBondContact O-N 2.68Å; A94-P116 HydrophobicContact CB-CB 3.92Å; A94-Y117 HydrophobicContact CB-CD1 3.7Å; A94-Y117 HydrophobicContact CB-CE1 3.77Å; A94-Y117 HydrophobicContact CB-CG 4.47Å
95	L	98.8	Very high	98.1	Very high	39 Å²	39	49.1 Å²	49.1	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128	179.7	178.5	63.2	0	0	0	110.8	L82 R83 W108 M110	L82-L95 HydrophobicContact CB-CD1 3.95Å; L82-L95 HydrophobicContact CB-CD2 3.92Å; L82-L95 HydrophobicContact CD1-CD1 4.05Å; R83-L95 HydrophobicContact CB-CD2 4.36Å; R83-L95 HydrophobicContact CG-CD2 3.59Å; L95-W108 HydrophobicContact CD1-CB 4.07Å; L95-W108 HydrophobicContact CD1-CD2 4.15Å; L95-W108 HydrophobicContact CD1-CE3 3.66Å; L95-W108 HydrophobicContact CD1-CG 4.34Å; L95-W108 HydrophobicContact CD2-CE3 4.1Å; L95-W108 HydrophobicContact CD2-CZ3 4.35Å; L95-W108 HydrophobicContact CG-CE3 3.73Å; L95-W108 HydrophobicContact CG-CZ3 4.12Å; L95-M110 HydrophobicContact CB-CE 4.3Å; L95-M110 HydrophobicContact CB-SD 4.33Å; L95-M110 HydrophobicContact CD1-CE 4.31Å
96	Y	98.8	Very high	98.2	Very high	62 Å²	62	50.4 Å²	50.4	24%	0.243	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	168.1	172.3	66.5	-79.5	0	0	0	111.4	I98 W108 V109 V111 H170 W227	Y96-I98 HydrophobicContact CD2-CG2 4.11Å; Y96-I98 HydrophobicContact CE2-CG2 3.59Å; Y96-W108 WeakPolarHBondContact O-CA 3.14Å; Y96-V109 HydrophobicContact CD1-CB 4.22Å; Y96-V109 HydrophobicContact CD1-CG1 4.5Å; Y96-V109 HydrophobicContact CD2-CB 4.38Å; Y96-V109 HydrophobicContact CE1-CB 3.8Å; Y96-V109 HydrophobicContact CE1-CG1 3.67Å; Y96-V109 HydrophobicContact CE2-CB 4Å; Y96-V109 HydrophobicContact CE2-CG1 4.38Å; Y96-V109 HydrophobicContact CE2-CG2 4.33Å; Y96-V109 PolarHBondContact N-O 2.92Å; Y96-V109 PolarHBondContact O-N 2.88Å; Y96-V111 HydrophobicContact CD1-CG2 4.19Å; Y96-V111 HydrophobicContact CE1-CG2 3.65Å; Y96-H170 AromaticContact CE1-ND1 3.82Å; Y96-H170 AromaticContact CZ-ND1 3.77Å; Y96-H170 PolarHBondContact OH-CE1 3.01Å; Y96-H170 PolarHBondContact OH-ND1 2.83Å; Y96-W227 AromaticContact CZ-NE1 3.88Å; Y96-W227 PolarHBondContact OH-NE1 3.39Å
97	S	98.8	Very high	98.3	Very high	40 Å²	40	49.4 Å²	49.4	28%	0.28	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.8	175	-176.2	0	0	0	0	108.3	G99 D106 L107	S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact OG-O 2.82Å; S97-D106 WeakPolarHBondContact CB-OD1 3.27Å; S97-D106 PolarHBondContact OG-OD1 2.65Å; S97-L107 WeakPolarHBondContact CA-O 3.3Å; S97-L107 PolarHBondContact OG-N 2.66Å
98	I	98.8	Very high	98.4	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-9.1	176.5	58.5	167.9	0	0	0	112.9	Y96 L107 V109 L172 S223 V224 W227	Y96-I98 HydrophobicContact CD2-CG2 4.11Å; Y96-I98 HydrophobicContact CE2-CG2 3.59Å; I98-L107 HydrophobicContact CD1-CB 4.26Å; I98-L107 HydrophobicContact CG1-CB 3.58Å; I98-L107 HydrophobicContact CG1-CD1 4.4Å; I98-L107 WeakPolarHBondContact CG1-O 3.46Å; I98-L107 PolarHBondContact N-O 2.79Å; I98-V109 HydrophobicContact CG1-CG2 4.33Å; I98-V109 HydrophobicContact CG2-CG2 3.57Å; I98-L172 HydrophobicContact CD1-CD2 3.86Å; I98-S223 WeakPolarHBondContact O-CB 3.33Å; I98-V224 HydrophobicContact CD1-CG2 3.63Å; I98-W227 HydrophobicContact CB-CB 4.21Å; I98-W227 HydrophobicContact CB-CG 4.38Å; I98-W227 HydrophobicContact CD1-CB 4.29Å; I98-W227 HydrophobicContact CD1-CD2 4.21Å; I98-W227 HydrophobicContact CD1-CE3 3.84Å; I98-W227 HydrophobicContact CD1-CG 4.44Å; I98-W227 HydrophobicContact CG2-CB 3.87Å; I98-W227 HydrophobicContact CG2-CD2 3.88Å; I98-W227 HydrophobicContact CG2-CG 3.54Å
99	G	98.7	Very high	98.5	Very high	22 Å²	22	40.9 Å²	40.9	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-165	-175.9	0	0	0	0	0	111.2	S97 L107	S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact OG-O 2.82Å; G99-L107 PolarHBondContact O-N 2.91Å
100	K	98.9	Very high	98.6	Very high	97 Å²	97	38.3 Å²	38.3	42%	0.422	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.2	-177	-71.2	-175.5	168.7	-57.2	0	111.9	G104 R105 D106 P219	K100-G104 WeakPolarHBondContact CD-O 3.33Å; K100-G104 PolarHBondContact NZ-O 3Å; K100-R105 CarbonylContact C-O 3.56Å; K100-R105 VanDerWaalsContact CA-O 3.26Å; K100-R105 WeakPolarHBondContact CA-O 3.48Å; K100-D106 IonicContact NZ-OD1 2.89Å; K100-D106 PolarHBondContact NZ-OD1 2.61Å; K100-D106 IonicContact NZ-OD2 2.68Å; K100-D106 PolarHBondContact NZ-OD2 2.96Å; K100-P219 WeakPolarHBondContact O-CB 3.33Å
101	S	98.8	Very high	98.7	Very high	7 Å²	7	36 Å²	36	5%	0.049	19%	0.192	C	C	.	.			trans	-67	171.7	169.9	71.1	0	0	0	0	112.3	Q103 G104 R105 D178 E220	S101-Q103 PolarHBondContact O-N 3.48Å; S101-Q103 PolarHBondContact OG-N 3.11Å; S101-G104 PolarHBondContact O-N 2.93Å; S101-G104 PolarHBondContact OG-N 2.94Å; S101-R105 PolarHBondContact N-O 3.04Å; S101-R105 WeakPolarHBondContact OG-CB 3.49Å; S101-R105 PolarHBondContact OG-N 3.04Å; S101-R105 VanDerWaalsContact OG-N 3.09Å; S101-D178 VanDerWaalsContact CB-CG 3.45Å; S101-D178 VanDerWaalsContact CB-OD1 3.25Å; S101-D178 WeakPolarHBondContact CB-OD1 3.18Å; S101-D178 WeakPolarHBondContact CB-OD2 3.38Å; S101-D178 PolarHBondContact OG-OD1 3.35Å; S101-D178 PolarHBondContact OG-OD2 2.87Å; S101-D178 VanDerWaalsContact OG-OD2 3.11Å; S101-E220 VanDerWaalsContact CA-OE1 3.25Å; S101-E220 WeakPolarHBondContact CA-OE1 3.47Å; S101-E220 WeakPolarHBondContact CB-OE1 3.46Å
102	I	98.6	Very high	98.7	Very high	48 Å²	48	29.7 Å²	29.7	25%	0.246	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-40.6	171.1	-66.5	-61.8	0	0	0	113.1	D178 A197 R198 P219 E220	I102-D178 PolarHBondContact N-OD2 3.47Å; I102-A197 HydrophobicContact CB-CB 4Å; I102-A197 HydrophobicContact CG2-CB 3.77Å; I102-R198 HydrophobicContact CD1-CG 3.75Å; I102-R198 HydrophobicContact CG1-CG 4.05Å; I102-R198 HydrophobicContact CG2-CG 4.23Å; I102-P219 HydrophobicContact CD1-CG 3.84Å; I102-E220 WeakPolarHBondContact CG1-OE1 3.38Å; I102-E220 PolarHBondContact N-OE1 3.38Å
103	Q	98.6	Very high	98.8	Very high	111 Å²	111	29 Å²	29	52%	0.519	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	14.6	179.7	-60.7	-177	-24.3	0	0	113.5	S101 R105 D178 A197	S101-Q103 PolarHBondContact O-N 3.48Å; S101-Q103 PolarHBondContact OG-N 3.11Å; Q103-R105 PolarHBondContact O-N 2.88Å; Q103-D178 WeakPolarHBondContact CB-OD2 3.32Å; Q103-D178 WeakPolarHBondContact CG-OD2 3.16Å; Q103-D178 PolarHBondContact N-OD2 2.87Å; Q103-A197 HydrophobicContact CG-CB 4.01Å
104	G	98.6	Very high	98.7	Very high	36 Å²	36	30.9 Å²	30.9	37%	0.371	17%	0.167	S	C	.	.			trans	83.1	2.9	171	0	0	0	0	0	116	K100 S101	K100-G104 WeakPolarHBondContact CD-O 3.33Å; K100-G104 PolarHBondContact NZ-O 3Å; S101-G104 PolarHBondContact O-N 2.93Å; S101-G104 PolarHBondContact OG-N 2.94Å
105	R	98.8	Very high	98.6	Very high	59 Å²	59	31 Å²	31	22%	0.223	17%	0.168	C	C	.	.			trans	-66.2	141.2	175.2	-63.7	-173.5	179.9	86.4	-0.4	110	K100 S101 Q103 P177 D178	K100-R105 CarbonylContact C-O 3.56Å; K100-R105 VanDerWaalsContact CA-O 3.26Å; K100-R105 WeakPolarHBondContact CA-O 3.48Å; S101-R105 PolarHBondContact N-O 3.04Å; S101-R105 WeakPolarHBondContact OG-CB 3.49Å; S101-R105 PolarHBondContact OG-N 3.04Å; S101-R105 VanDerWaalsContact OG-N 3.09Å; Q103-R105 PolarHBondContact O-N 2.88Å; R105-P177 HydrophobicContact CB-CB 4.13Å; R105-P177 HydrophobicContact CB-CG 3.79Å; R105-D178 WeakPolarHBondContact CD-OD1 3.27Å; R105-D178 IonicContact CZ-OD1 1.84Å; R105-D178 IonicContact NH1-OD1 3.76Å; R105-D178 PolarHBondContact NH1-OD1 2.69Å
106	D	98.8	Very high	98.4	Very high	30 Å²	30	29.5 Å²	29.5	16%	0.16	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.8	-178	-83.8	-57.6	0	0	0	112.3	H75 S97 K100 W108	H75-D106 PolarHBondContact CE1-O 2.79Å; H75-D106 VanDerWaalsContact CE1-O 3.27Å; H75-D106 PolarHBondContact NE2-N 2.95Å; S97-D106 WeakPolarHBondContact CB-OD1 3.27Å; S97-D106 PolarHBondContact OG-OD1 2.65Å; K100-D106 IonicContact NZ-OD1 2.89Å; K100-D106 PolarHBondContact NZ-OD1 2.61Å; K100-D106 IonicContact NZ-OD2 2.68Å; K100-D106 PolarHBondContact NZ-OD2 2.96Å; D106-W108 VanDerWaalsContact C-N 3.29Å; D106-W108 HydrophobicContact CB-CD2 3.85Å; D106-W108 HydrophobicContact CB-CG 4.2Å; D106-W108 HydrophobicContact CB-CH2 4.19Å; D106-W108 HydrophobicContact CB-CZ2 3.51Å; D106-W108 PolarHBondContact O-N 2.88Å; D106-W108 VanDerWaalsContact O-N 3.14Å; D106-W108 WeakPolarHBondContact OD2-CZ2 3.4Å
107	L	98.9	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	75.6	172.6	-59.9	178.6	0	0	0	108.2	S97 I98 G99 V109 L172 M175 P177 E220	S97-L107 WeakPolarHBondContact CA-O 3.3Å; S97-L107 PolarHBondContact OG-N 2.66Å; I98-L107 HydrophobicContact CD1-CB 4.26Å; I98-L107 HydrophobicContact CG1-CB 3.58Å; I98-L107 HydrophobicContact CG1-CD1 4.4Å; I98-L107 WeakPolarHBondContact CG1-O 3.46Å; I98-L107 PolarHBondContact N-O 2.79Å; G99-L107 PolarHBondContact O-N 2.91Å; L107-V109 PolarHBondContact O-N 3.22Å; L107-L172 HydrophobicContact CB-CD1 4.37Å; L107-M175 WeakPolarHBondContact CD2-O 3.01Å; L107-P177 HydrophobicContact CD2-CG 3.97Å; L107-E220 HydrophobicContact CD1-CB 4.42Å
108	W	98.9	Very high	97.6	Very high	26 Å²	26	38.5 Å²	38.5	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.7	-175.3	-67.6	117.8	0	0	0	112.6	H75 T79 L82 L95 Y96 D106 L172 P173	H75-W108 AromaticContact CE1-CD1 3.96Å; H75-W108 AromaticContact CE1-NE1 3.95Å; T79-W108 HydrophobicContact CG2-CZ2 4Å; T79-W108 PolarHBondContact OG1-NE1 2.63Å; L82-W108 HydrophobicContact CD1-CB 3.55Å; L82-W108 HydrophobicContact CD1-CG 4.09Å; L95-W108 HydrophobicContact CD1-CB 4.07Å; L95-W108 HydrophobicContact CD1-CD2 4.15Å; L95-W108 HydrophobicContact CD1-CE3 3.66Å; L95-W108 HydrophobicContact CD1-CG 4.34Å; L95-W108 HydrophobicContact CD2-CE3 4.1Å; L95-W108 HydrophobicContact CD2-CZ3 4.35Å; L95-W108 HydrophobicContact CG-CE3 3.73Å; L95-W108 HydrophobicContact CG-CZ3 4.12Å; Y96-W108 WeakPolarHBondContact O-CA 3.14Å; D106-W108 VanDerWaalsContact C-N 3.29Å; D106-W108 HydrophobicContact CB-CD2 3.85Å; D106-W108 HydrophobicContact CB-CG 4.2Å; D106-W108 HydrophobicContact CB-CH2 4.19Å; D106-W108 HydrophobicContact CB-CZ2 3.51Å; D106-W108 PolarHBondContact O-N 2.88Å; D106-W108 VanDerWaalsContact O-N 3.14Å; D106-W108 WeakPolarHBondContact OD2-CZ2 3.4Å; W108-L172 VanDerWaalsContact O-CD1 3.24Å; W108-L172 WeakPolarHBondContact O-CD1 3.46Å; W108-P173 VanDerWaalsContact O-CD 3.3Å; W108-P173 WeakPolarHBondContact O-CD 3.02Å
109	V	98.9	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	168.2	-176.5	0	0	0	0	109.2	Y96 I98 L107 H170 I171 L172 W227	Y96-V109 HydrophobicContact CD1-CB 4.22Å; Y96-V109 HydrophobicContact CD1-CG1 4.5Å; Y96-V109 HydrophobicContact CD2-CB 4.38Å; Y96-V109 HydrophobicContact CE1-CB 3.8Å; Y96-V109 HydrophobicContact CE1-CG1 3.67Å; Y96-V109 HydrophobicContact CE2-CB 4Å; Y96-V109 HydrophobicContact CE2-CG1 4.38Å; Y96-V109 HydrophobicContact CE2-CG2 4.33Å; Y96-V109 PolarHBondContact N-O 2.92Å; Y96-V109 PolarHBondContact O-N 2.88Å; I98-V109 HydrophobicContact CG1-CG2 4.33Å; I98-V109 HydrophobicContact CG2-CG2 3.57Å; L107-V109 PolarHBondContact O-N 3.22Å; V109-H170 HydrophobicContact CG1-CB 3.84Å; V109-I171 WeakPolarHBondContact CA-O 3.42Å; V109-L172 HydrophobicContact CG2-CB 4.12Å; V109-L172 HydrophobicContact CG2-CD1 4.15Å; V109-W227 HydrophobicContact CG1-CH2 4.36Å; V109-W227 HydrophobicContact CG1-CZ2 3.78Å; V109-W227 HydrophobicContact CG2-CH2 4.21Å; V109-W227 HydrophobicContact CG2-CZ2 4.01Å
110	M	98.9	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120	169.8	-176.9	64.6	79.9	0	0	109.4	L82 T85 T93 L95 V112 I147 I171	L82-M110 HydrophobicContact CB-CE 3.99Å; L82-M110 HydrophobicContact CD2-CB 4.33Å; L82-M110 HydrophobicContact CD2-CE 3.85Å; L82-M110 HydrophobicContact CG-CE 4.5Å; L82-M110 VanDerWaalsContact O-CE 3.22Å; L82-M110 WeakPolarHBondContact O-CE 3.42Å; T85-M110 HydrophobicContact CG2-CE 4.25Å; T93-M110 HydrophobicContact CG2-SD 4.07Å; L95-M110 HydrophobicContact CB-CE 4.3Å; L95-M110 HydrophobicContact CB-SD 4.33Å; L95-M110 HydrophobicContact CD1-CE 4.31Å; M110-V112 HydrophobicContact CG-CG2 3.88Å; M110-I147 HydrophobicContact CB-CD1 3.69Å; M110-I147 HydrophobicContact CB-CG1 4.27Å; M110-I147 HydrophobicContact CG-CD1 4.02Å; M110-I147 HydrophobicContact CG-CG1 4.17Å; M110-I147 HydrophobicContact CG-CG2 4.07Å; M110-I171 PolarHBondContact N-O 3.13Å; M110-I171 PolarHBondContact O-N 3.44Å
111	V	98.9	Very high	96.4	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.7	161.3	-166.3	0	0	0	0	108.4	T93 A94 Y96 P116 R168 I169	T93-V111 VanDerWaalsContact CA-O 3.22Å; T93-V111 WeakPolarHBondContact CA-O 3.47Å; A94-V111 HydrophobicContact CB-CB 4.22Å; A94-V111 HydrophobicContact CB-CG2 4.17Å; A94-V111 PolarHBondContact N-O 3.31Å; A94-V111 PolarHBondContact O-N 2.68Å; Y96-V111 HydrophobicContact CD1-CG2 4.19Å; Y96-V111 HydrophobicContact CE1-CG2 3.65Å; V111-P116 HydrophobicContact CB-CB 4.28Å; V111-P116 HydrophobicContact CG1-CB 4.16Å; V111-R168 HydrophobicContact CG1-CG 3.84Å; V111-I169 CarbonylContact C-O 3.55Å; V111-I169 VanDerWaalsContact CA-O 3.29Å; V111-I169 WeakPolarHBondContact CA-O 3.36Å
112	V	98.7	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.6	167.4	-161.7	0	0	0	0	109	L92 T93 M110 I147 F150 V151 L164 I169 I171	L92-V112 WeakPolarHBondContact O-CA 3.23Å; T93-V112 HydrophobicContact CG2-CG1 4.31Å; T93-V112 HydrophobicContact CG2-CG2 4.4Å; M110-V112 HydrophobicContact CG-CG2 3.88Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; V112-F150 HydrophobicContact CB-CD2 4.49Å; V112-F150 HydrophobicContact CG1-CB 3.81Å; V112-F150 HydrophobicContact CG1-CD2 4.34Å; V112-F150 HydrophobicContact CG1-CG 4.5Å; V112-V151 HydrophobicContact CG1-CG1 4.23Å; V112-L164 HydrophobicContact CB-CD2 4.3Å; V112-L164 HydrophobicContact CG1-CD1 4.06Å; V112-L164 HydrophobicContact CG1-CD2 3.83Å; V112-I169 PolarHBondContact N-O 3.09Å; V112-I169 WeakPolarHBondContact O-CB 3.37Å; V112-I169 PolarHBondContact O-N 2.88Å; V112-I171 HydrophobicContact CG2-CD1 4.27Å
113	S	98.5	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-174.4	154.4	-176.9	-173.2	0	0	0	0	109.6	L92 S115 P116 L164 T167	L92-S113 CarbonylContact C-O 3.5Å; L92-S113 VanDerWaalsContact C-O 3.28Å; L92-S113 VanDerWaalsContact CA-O 3.26Å; L92-S113 WeakPolarHBondContact CA-O 3.43Å; L92-S113 PolarHBondContact O-N 3.04Å; S113-S115 PolarHBondContact O-N 3.42Å; S113-S115 VanDerWaalsContact O-N 3.11Å; S113-S115 PolarHBondContact OG-N 2.99Å; S113-P116 WeakPolarHBondContact O-CD 3.48Å; S113-L164 PolarHBondContact OG-O 3.14Å; S113-T167 WeakPolarHBondContact CB-O 3.48Å; S113-T167 PolarHBondContact OG-O 3.39Å
114	S	97.1	Very high	95.7	Very high	38 Å²	38	35.9 Å²	35.9	27%	0.266	19%	0.192	S	C	.	.	S	Bend	trans	-69.4	-1.1	169	66.4	0	0	0	0	114	K123 L164 D165	S114-K123 PolarHBondContact OG-NZ 2.96Å; S114-L164 PolarHBondContact N-O 2.94Å; S114-L164 PolarHBondContact OG-O 3.02Å; S114-D165 VanDerWaalsContact CB-OD1 3.22Å; S114-D165 WeakPolarHBondContact CB-OD1 3.49Å; S114-D165 WeakPolarHBondContact OG-CA 3.34Å; S114-D165 PolarHBondContact OG-OD1 3.38Å
115	S	95.8	Very high	95.7	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.098	18%	0.176	C	C	.	.	S	Bend	trans	-134.6	78.6	167.4	57.9	0	0	0	0	110.1	S113 M120 K123	S113-S115 PolarHBondContact O-N 3.42Å; S113-S115 VanDerWaalsContact O-N 3.11Å; S113-S115 PolarHBondContact OG-N 2.99Å; S115-M120 WeakPolarHBondContact CB-SD 3.42Å; S115-K123 WeakPolarHBondContact OG-CE 3.26Å; S115-K123 PolarHBondContact OG-NZ 2.87Å
116	P	95.8	Very high	95.7	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.045	17%	0.166	C	C	.	.			trans	-81.5	-44.7	-168.5	30.3	-33.4	0	0	0	112.9	A94 V111 S113 R168	A94-P116 HydrophobicContact CB-CB 3.92Å; V111-P116 HydrophobicContact CB-CB 4.28Å; V111-P116 HydrophobicContact CG1-CB 4.16Å; S113-P116 WeakPolarHBondContact O-CD 3.48Å; P116-R168 PolarHBondContact O-NE 2.81Å; P116-R168 PolarHBondContact O-NH2 2.83Å
117	Y	92.5	Very high	95.7	Very high	141 Å²	141	30.4 Å²	30.4	55%	0.553	16%	0.158	S	C	*	.	S	Bend	trans	-66.8	-41.6	-171.4	-59.7	-69.4	0	0	0	113.8	P90 A94 R168	P90-Y117 WeakPolarHBondContact O-CE2 3.44Å; P90-Y117 PolarHBondContact O-OH 2.94Å; A94-Y117 HydrophobicContact CB-CD1 3.7Å; A94-Y117 HydrophobicContact CB-CE1 3.77Å; A94-Y117 HydrophobicContact CB-CG 4.47Å; Y117-R168 PolarHBondContact O-NH2 3.46Å
118	E	88.6	Confident	95.7	Very high	151 Å²	151	30.4 Å²	30.4	71%	0.706	16%	0.158	S	C	*	.	S	Bend	trans	-123.5	157.4	-177	-63.8	-167.9	177.5	0	0	112	M120 R168	E118-M120 PolarHBondContact O-N 3.49Å; E118-R168 PolarHBondContact O-NE 2.98Å
119	H	88.7	Confident	95.7	Very high	30 Å²	30	29.1 Å²	29.1	14%	0.139	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-71.6	121	172.5	-179.6	79.1	0	0	0	110.4	K123 D125 Y399 E401 W403	H119-K123 PolarHBondContact CE1-O 3.22Å; H119-D125 IonicContact CE1-OD2 3.82Å; H119-D125 IonicContact ND1-OD2 2.97Å; H119-D125 PolarHBondContact ND1-OD2 3.24Å; H119-Y399 AromaticContact CD2-CD2 3.74Å; H119-Y399 AromaticContact CD2-CE2 3.74Å; H119-E401 IonicContact CD2-OE1 3.25Å; H119-E401 IonicContact CD2-OE2 3.63Å; H119-E401 IonicContact CE1-OE1 2.76Å; H119-E401 IonicContact CE1-OE2 2.92Å; H119-E401 VanDerWaalsContact NE2-CD 3.31Å; H119-E401 IonicContact NE2-OE1 2.72Å; H119-E401 PolarHBondContact NE2-OE1 3.13Å; H119-E401 IonicContact NE2-OE2 3.87Å; H119-E401 PolarHBondContact NE2-OE2 2.03Å; H119-W403 AromaticContact CE1-CH2 3.95Å
120	M	90.4	Very high	95.7	Very high	95 Å²	95	29.1 Å²	29.1	47%	0.468	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-88.6	125.9	169.5	-92.2	-170.7	64.8	0	0	110.2	S115 E118 G122 K123	S115-M120 WeakPolarHBondContact CB-SD 3.42Å; E118-M120 PolarHBondContact O-N 3.49Å; M120-G122 PolarHBondContact O-N 3.42Å; M120-K123 HydrophobicContact CB-CD 3.87Å; M120-K123 HydrophobicContact CB-CG 3.92Å; M120-K123 WeakPolarHBondContact O-CB 3.38Å; M120-K123 PolarHBondContact O-N 3.37Å; M120-K123 VanDerWaalsContact SD-CE 3.5Å
121	V	91.7	Very high	95.7	Very high	76 Å²	76	29.2 Å²	29.2	46%	0.461	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	127.7	177.8	173.5	0	0	0	0	110.9	F371 Y399 E401	V121-F371 HydrophobicContact CG1-CE1 3.54Å; V121-F371 HydrophobicContact CG1-CZ 3.53Å; V121-Y399 HydrophobicContact CG2-CD1 4.18Å; V121-Y399 HydrophobicContact CG2-CD2 3.86Å; V121-Y399 HydrophobicContact CG2-CE2 4.3Å; V121-Y399 HydrophobicContact CG2-CG 3.8Å; V121-E401 VanDerWaalsContact CA-OE1 3.23Å; V121-E401 WeakPolarHBondContact CA-OE1 3.48Å; V121-E401 HydrophobicContact CG1-CG 4.38Å
122	G	89.8	Confident	95.7	Very high	36 Å²	36	29.1 Å²	29.1	37%	0.371	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-10.4	-176.9	0	0	0	0	0	115.4	M120 E401	M120-G122 PolarHBondContact O-N 3.42Å; G122-E401 PolarHBondContact N-OE1 3.03Å
123	K	95.2	Very high	95.7	Very high	12 Å²	12	29.2 Å²	29.2	5%	0.052	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-91.7	122.2	173.9	-59.5	-163.7	-168.8	-172.2	0	110.9	S114 S115 H119 M120 D165 N166	S114-K123 PolarHBondContact OG-NZ 2.96Å; S115-K123 WeakPolarHBondContact OG-CE 3.26Å; S115-K123 PolarHBondContact OG-NZ 2.87Å; H119-K123 PolarHBondContact CE1-O 3.22Å; M120-K123 HydrophobicContact CB-CD 3.87Å; M120-K123 HydrophobicContact CB-CG 3.92Å; M120-K123 WeakPolarHBondContact O-CB 3.38Å; M120-K123 PolarHBondContact O-N 3.37Å; M120-K123 VanDerWaalsContact SD-CE 3.5Å; K123-D165 WeakPolarHBondContact CE-O 3.45Å; K123-D165 PolarHBondContact NZ-O 3.1Å; K123-N166 WeakPolarHBondContact CA-O 3.26Å; K123-N166 VanDerWaalsContact CB-O 3.31Å; K123-N166 WeakPolarHBondContact CB-O 3.47Å; K123-N166 WeakPolarHBondContact CG-O 3.38Å
124	P	97	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67.6	134.7	171.4	27.2	-34.5	0	0	0	111.7	N166 R168 V234 A364 W403	P124-N166 WeakPolarHBondContact CD-O 3.45Å; P124-R168 PolarHBondContact O-N 2.9Å; P124-V234 HydrophobicContact CB-CB 4.22Å; P124-V234 HydrophobicContact CB-CG2 3.6Å; P124-A364 HydrophobicContact CB-CB 4.45Å; P124-A364 HydrophobicContact CG-CB 4.24Å; P124-W403 HydrophobicContact CB-CD2 4.15Å; P124-W403 HydrophobicContact CB-CG 4.22Å
125	D	98.2	Very high	95.8	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	133.8	161.1	-74.5	-67	0	0	0	109.4	H119 R168 H170 I231 F233 V234	H119-D125 IonicContact CE1-OD2 3.82Å; H119-D125 IonicContact ND1-OD2 2.97Å; H119-D125 PolarHBondContact ND1-OD2 3.24Å; D125-R168 WeakPolarHBondContact CA-O 3.25Å; D125-R168 WeakPolarHBondContact OD1-CB 3.44Å; D125-R168 VanDerWaalsContact OD1-CD 3.32Å; D125-R168 WeakPolarHBondContact OD1-CD 3.46Å; D125-R168 VanDerWaalsContact OD1-CG 3.31Å; D125-R168 WeakPolarHBondContact OD1-CG 3.23Å; D125-R168 IonicContact OD1-CZ 2.74Å; D125-R168 IonicContact OD1-NE 2.66Å; D125-R168 IonicContact OD1-NH1 3.58Å; D125-R168 PolarHBondContact OD1-NH1 2.95Å; D125-R168 IonicContact OD2-NH1 2.96Å; D125-H170 IonicContact OD1-CD2 2.69Å; D125-H170 IonicContact OD1-NE2 2.65Å; D125-H170 PolarHBondContact OD1-NE2 3.08Å; D125-H170 IonicContact OD2-NE2 2.88Å; D125-I231 HydrophobicContact CB-CG2 3.56Å; D125-I231 VanDerWaalsContact CG-CG2 3.4Å; D125-I231 VanDerWaalsContact OD2-CG2 3.29Å; D125-I231 WeakPolarHBondContact OD2-CG2 3.36Å; D125-F233 HydrophobicContact CB-CD1 4Å; D125-F233 HydrophobicContact CB-CE1 4.21Å; D125-F233 WeakPolarHBondContact O-CA 3.49Å; D125-V234 PolarHBondContact O-N 3.43Å
126	V	98.8	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161	175.2	-55.5	0	0	0	0	109.7	T167 R168 I169 H170 L235 L361 A364	V126-T167 HydrophobicContact CB-CG2 4.3Å; V126-T167 HydrophobicContact CG1-CG2 3.92Å; V126-T167 HydrophobicContact CG2-CG2 3.39Å; V126-R168 PolarHBondContact N-O 3.07Å; V126-I169 HydrophobicContact CG2-CB 4.2Å; V126-I169 HydrophobicContact CG2-CG1 4.01Å; V126-I169 HydrophobicContact CG2-CG2 4.16Å; V126-H170 PolarHBondContact O-N 3.41Å; V126-L235 WeakPolarHBondContact CA-O 3.24Å; V126-L235 HydrophobicContact CB-CB 4.43Å; V126-L235 HydrophobicContact CG1-CB 4.03Å; V126-L361 HydrophobicContact CB-CD2 4.34Å; V126-L361 HydrophobicContact CG2-CD2 3.65Å; V126-A364 HydrophobicContact CG1-CB 3.45Å; V126-A364 VanDerWaalsContact CG1-CB 3.45Å
127	K	98.9	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.2	177.7	72.1	-174.2	-179.6	-56.7	0	116.8	V129 H170 W227 F233 L235 S236 G237 N322 C328 E330	K127-V129 HydrophobicContact CD-CG2 4.49Å; K127-H170 CarbonylContact C-O 3.59Å; K127-H170 WeakPolarHBondContact CA-O 3.4Å; K127-H170 HydrophobicContact CB-CB 4.17Å; K127-H170 WeakPolarHBondContact CB-O 3.49Å; K127-W227 HydrophobicContact CB-CH2 4.02Å; K127-W227 HydrophobicContact CB-CZ2 4.35Å; K127-W227 HydrophobicContact CD-CE3 4.45Å; K127-W227 HydrophobicContact CD-CH2 3.61Å; K127-W227 HydrophobicContact CD-CZ2 4.15Å; K127-W227 HydrophobicContact CD-CZ3 3.78Å; K127-W227 HydrophobicContact CG-CH2 4.35Å; K127-F233 HydrophobicContact CB-CD1 3.94Å; K127-F233 HydrophobicContact CB-CE1 3.77Å; K127-F233 HydrophobicContact CB-CZ 4.32Å; K127-F233 HydrophobicContact CD-CD1 4.04Å; K127-F233 HydrophobicContact CD-CD2 3.83Å; K127-F233 HydrophobicContact CD-CE1 4.06Å; K127-F233 HydrophobicContact CD-CE2 3.84Å; K127-F233 HydrophobicContact CD-CG 3.93Å; K127-F233 HydrophobicContact CD-CZ 3.96Å; K127-F233 HydrophobicContact CG-CD1 4.08Å; K127-F233 HydrophobicContact CG-CE1 4.27Å; K127-F233 HydrophobicContact CG-CG 4.31Å; K127-L235 PolarHBondContact N-O 3.12Å; K127-S236 VanDerWaalsContact CE-OG 3.22Å; K127-S236 WeakPolarHBondContact CE-OG 3.31Å; K127-S236 WeakPolarHBondContact CG-OG 3.28Å; K127-S236 VanDerWaalsContact NZ-CB 3.33Å; K127-S236 PolarHBondContact NZ-OG 3.01Å; K127-S236 VanDerWaalsContact O-CA 3.3Å; K127-S236 WeakPolarHBondContact O-CA 3.22Å; K127-G237 PolarHBondContact O-N 3.34Å; K127-G237 VanDerWaalsContact O-N 3.17Å; K127-N322 WeakPolarHBondContact CE-OD1 3.1Å; K127-N322 PolarHBondContact NZ-OD1 3.07Å; K127-C328 PolarHBondContact NZ-SG 3.03Å; K127-C328 VanDerWaalsContact NZ-SG 3.44Å; K127-E330 IonicContact NZ-OE2 3.97Å
128	Y	98.9	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.6	159.7	-83.7	-50.7	0	0	0	110.7	L143 L146 H170 L172 G237 L239 L333 L357 F360 L361	Y128-L143 HydrophobicContact CD2-CD2 3.79Å; Y128-L143 HydrophobicContact CG-CD2 3.8Å; Y128-L146 HydrophobicContact CD2-CD2 3.81Å; Y128-L146 HydrophobicContact CE2-CD2 3.92Å; Y128-H170 PolarHBondContact N-O 3.11Å; Y128-L172 PolarHBondContact O-N 2.87Å; Y128-G237 WeakPolarHBondContact CA-O 3.46Å; Y128-L239 HydrophobicContact CD1-CD1 3.47Å; Y128-L239 VanDerWaalsContact CD1-CD1 3.47Å; Y128-L239 HydrophobicContact CE1-CD1 3.96Å; Y128-L239 HydrophobicContact CG-CD1 4.12Å; Y128-L333 HydrophobicContact CE1-CD1 3.86Å; Y128-L357 HydrophobicContact CD2-CD2 4.43Å; Y128-L357 HydrophobicContact CE1-CD2 4.27Å; Y128-L357 HydrophobicContact CE2-CB 4.23Å; Y128-L357 HydrophobicContact CE2-CD2 3.75Å; Y128-L357 WeakPolarHBondContact OH-CA 3.46Å; Y128-L357 PolarHBondContact OH-O 3.48Å; Y128-F360 AromaticContact CE1-CD1 3.93Å; Y128-F360 HydrophobicContact CE1-CD1 3.93Å; Y128-F360 HydrophobicContact CE1-CE1 4.07Å; Y128-F360 AromaticContact CZ-CD1 3.76Å; Y128-F360 WeakPolarHBondContact OH-CD1 3.48Å; Y128-L361 HydrophobicContact CD2-CD1 4.14Å; Y128-L361 HydrophobicContact CD2-CD2 4.03Å; Y128-L361 HydrophobicContact CD2-CG 4.32Å; Y128-L361 HydrophobicContact CE2-CD1 3.62Å; Y128-L361 HydrophobicContact CE2-CD2 3.73Å; Y128-L361 HydrophobicContact CE2-CG 3.6Å
129	V	99	Very high	96.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.3	172.3	-178.4	0	0	0	0	108.6	K127 L172 M175 W227 G237 S238 L239 M318	K127-V129 HydrophobicContact CD-CG2 4.49Å; V129-L172 CarbonylContact C-O 3.56Å; V129-L172 WeakPolarHBondContact CA-O 3.41Å; V129-L172 HydrophobicContact CG1-CD2 4.01Å; V129-L172 HydrophobicContact CG1-CG 4.34Å; V129-L172 HydrophobicContact CG2-CB 4.4Å; V129-L172 HydrophobicContact CG2-CD2 4.3Å; V129-M175 HydrophobicContact CG1-CB 3.94Å; V129-M175 HydrophobicContact CG1-SD 4.3Å; V129-W227 HydrophobicContact CG2-CH2 4.46Å; V129-W227 HydrophobicContact CG2-CZ3 4Å; V129-G237 PolarHBondContact N-O 2.84Å; V129-S238 CarbonylContact O-C 3.53Å; V129-S238 WeakPolarHBondContact O-CA 3.22Å; V129-L239 PolarHBondContact O-N 2.95Å; V129-M318 HydrophobicContact CB-CE 3.85Å; V129-M318 HydrophobicContact CG1-CE 3.86Å; V129-M318 HydrophobicContact CG1-SD 4.4Å; V129-M318 HydrophobicContact CG2-CE 4.14Å
130	G	98.9	Very high	97.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	156	174.6	0	0	0	0	0	112.4	I132 L172 P173 T174 M175	G130-I132 VanDerWaalsContact C-N 3.3Å; G130-I132 PolarHBondContact O-N 3.18Å; G130-I132 VanDerWaalsContact O-N 3.14Å; G130-L172 PolarHBondContact N-O 3.29Å; G130-P173 CarbonylContact C-O 3.53Å; G130-T174 WeakPolarHBondContact O-CA 3.43Å; G130-M175 PolarHBondContact O-N 3.03Å
131	N	98.8	Very high	97.8	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	5%	0.047	C	C	.	.			trans	57.2	42.2	156.2	-175.2	-120.8	0	0	0	113.1	H133 G134 E136 R140 T174 N176 L239	N131-H133 CarbonylContact C-O 3.34Å; N131-H133 PolarHBondContact ND2-O 3.04Å; N131-G134 WeakPolarHBondContact ND2-CA 3.35Å; N131-G134 PolarHBondContact ND2-O 2.86Å; N131-E136 PolarHBondContact ND2-O 3.47Å; N131-R140 HydrophobicContact CB-CB 3.83Å; N131-T174 WeakPolarHBondContact OD1-CB 3.22Å; N131-T174 PolarHBondContact OD1-OG1 3.33Å; N131-N176 WeakPolarHBondContact O-CB 3.41Å; N131-N176 PolarHBondContact O-N 3.17Å; N131-L239 PolarHBondContact N-O 3.27Å
132	I	98.9	Very high	98.1	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-66.4	-27.8	166.7	-178.9	171.1	0	0	0	111.6	G130 M175 N176 L202 N203 F206 H240 M318	G130-I132 VanDerWaalsContact C-N 3.3Å; G130-I132 PolarHBondContact O-N 3.18Å; G130-I132 VanDerWaalsContact O-N 3.14Å; I132-M175 HydrophobicContact CB-CB 4.19Å; I132-M175 HydrophobicContact CB-CG 4.46Å; I132-M175 HydrophobicContact CB-SD 3.97Å; I132-M175 HydrophobicContact CD1-CE 4.05Å; I132-M175 HydrophobicContact CD1-SD 3.47Å; I132-M175 WeakPolarHBondContact CD1-SD 3.4Å; I132-M175 HydrophobicContact CG1-CE 4.3Å; I132-M175 HydrophobicContact CG1-CG 4.34Å; I132-M175 HydrophobicContact CG1-SD 3.55Å; I132-M175 VanDerWaalsContact CG1-SD 3.55Å; I132-N176 WeakPolarHBondContact O-CB 3.3Å; I132-N176 PolarHBondContact O-ND2 3.42Å; I132-L202 HydrophobicContact CD1-CB 4.04Å; I132-L202 HydrophobicContact CG1-CB 3.62Å; I132-L202 HydrophobicContact CG1-CD1 4.37Å; I132-N203 HydrophobicContact CD1-CB 3.88Å; I132-N203 HydrophobicContact CG1-CB 4.46Å; I132-F206 HydrophobicContact CD1-CE2 4.34Å; I132-H240 WeakPolarHBondContact CG2-CE1 3.41Å; I132-H240 WeakPolarHBondContact CG2-NE2 3.46Å; I132-M318 HydrophobicContact CD1-CB 4.39Å; I132-M318 HydrophobicContact CD1-CE 4.37Å; I132-M318 HydrophobicContact CD1-SD 4.06Å
133	H	98.8	Very high	98.5	Very high	3 Å²	3	1.5 Å²	1.5	1%	0.014	1%	0.007	C	C	.	.	S	Bend	trans	-99.9	122.9	157	-49.1	127.9	0	0	0	108.1	N131 N135 E136 R194 D201 H240	N131-H133 CarbonylContact C-O 3.34Å; N131-H133 PolarHBondContact ND2-O 3.04Å; H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 3.37Å; H133-E136 HydrophobicContact CB-CB 4.3Å; H133-E136 VanDerWaalsContact CB-CD 3.48Å; H133-E136 HydrophobicContact CB-CG 4.07Å; H133-E136 IonicContact CE1-OE1 2.66Å; H133-E136 PolarHBondContact CE1-OE1 3.41Å; H133-E136 CovalentContact CE1-OE2 1.75Å; H133-E136 IonicContact CE1-OE2 2.7Å; H133-E136 PolarHBondContact CE1-OE2 2.86Å; H133-E136 IonicContact CG-OE1 3.97Å; H133-E136 IonicContact CG-OE2 3.52Å; H133-E136 IonicContact ND1-OE1 3.56Å; H133-E136 PolarHBondContact ND1-OE1 3.16Å; H133-E136 VanDerWaalsContact ND1-OE1 3.12Å; H133-E136 IonicContact ND1-OE2 2.75Å; H133-E136 PolarHBondContact ND1-OE2 2.92Å; H133-E136 PolarHBondContact O-N 2.92Å; H133-E136 VanDerWaalsContact O-N 3.11Å; H133-R194 WeakPolarHBondContact CA-O 3.5Å; H133-R194 HydrophobicContact CB-CG 4.02Å; H133-R194 PolarHBondContact CE1-NH1 2.88Å; H133-R194 VanDerWaalsContact CE1-NH1 3.34Å; H133-R194 PolarHBondContact ND1-NH1 3.29Å; H133-R194 PolarHBondContact NE2-NH2 3.31Å; H133-D201 IonicContact CD2-OD1 3.54Å; H133-H240 AromaticContact CE1-CE1 3.29Å; H133-H240 PolarHBondContact CE1-CE1 2.98Å; H133-H240 AromaticContact CE1-ND1 2.77Å; H133-H240 PolarHBondContact CE1-ND1 3.09Å; H133-H240 AromaticContact ND1-CE1 3.4Å; H133-H240 PolarHBondContact ND1-CE1 2.79Å; H133-H240 AromaticContact ND1-ND1 3.27Å; H133-H240 PolarHBondContact ND1-ND1 2.99Å; H133-H240 AromaticContact NE2-CE1 2.92Å; H133-H240 PolarHBondContact NE2-CE1 3.29Å; H133-H240 AromaticContact NE2-ND1 3.2Å; H133-H240 PolarHBondContact NE2-ND1 3.42Å; H133-H240 VanDerWaalsContact NE2-ND1 3.2Å
134	G	98.7	Very high	98.7	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.3	-172	0	0	0	0	0	114	N131 E136 Y180 S183 G193	N131-G134 WeakPolarHBondContact ND2-CA 3.35Å; N131-G134 PolarHBondContact ND2-O 2.86Å; G134-E136 PolarHBondContact O-N 3.04Å; G134-Y180 VanDerWaalsContact CA-N 3.32Å; G134-Y180 WeakPolarHBondContact O-CA 3.16Å; G134-S183 PolarHBondContact O-OG 3.24Å; G134-G193 CarbonylContact C-O 3.48Å; G134-G193 WeakPolarHBondContact CA-O 3.23Å; G134-G193 PolarHBondContact N-O 2.98Å
135	N	98.7	Very high	98.8	Very high	5 Å²	5	1.2 Å²	1.2	3%	0.027	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.6	177.2	72.6	-34.2	0	0	0	114.5	H133 P137 S183 G190 Q192 G193 R194 K339	H133-N135 VanDerWaalsContact C-N 3.27Å; H133-N135 PolarHBondContact O-N 3.37Å; N135-P137 WeakPolarHBondContact O-CD 3.4Å; N135-S183 WeakPolarHBondContact CA-OG 3.4Å; N135-S183 WeakPolarHBondContact CB-OG 3.2Å; N135-S183 PolarHBondContact N-OG 2.84Å; N135-S183 VanDerWaalsContact N-OG 3.1Å; N135-G190 PolarHBondContact ND2-O 3.17Å; N135-Q192 WeakPolarHBondContact CB-O 3.35Å; N135-G193 PolarHBondContact N-O 3.22Å; N135-R194 WeakPolarHBondContact OD1-CA 3.43Å; N135-R194 WeakPolarHBondContact OD1-CB 3.45Å; N135-K339 CarbonylContact O-C 3.17Å; N135-K339 WeakPolarHBondContact O-CB 3.29Å
136	E	98.8	Very high	98.8	Very high	1 Å²	1	0.8 Å²	0.8	1%	0.005	0%	0.004	C	C	.	.			trans	-113.4	63.8	173.9	-65.6	163.7	-156.3	0	0	109.4	N131 H133 G134 R194 H240 G241 K339	N131-E136 PolarHBondContact ND2-O 3.47Å; H133-E136 HydrophobicContact CB-CB 4.3Å; H133-E136 VanDerWaalsContact CB-CD 3.48Å; H133-E136 HydrophobicContact CB-CG 4.07Å; H133-E136 IonicContact CE1-OE1 2.66Å; H133-E136 PolarHBondContact CE1-OE1 3.41Å; H133-E136 CovalentContact CE1-OE2 1.75Å; H133-E136 IonicContact CE1-OE2 2.7Å; H133-E136 PolarHBondContact CE1-OE2 2.86Å; H133-E136 IonicContact CG-OE1 3.97Å; H133-E136 IonicContact CG-OE2 3.52Å; H133-E136 IonicContact ND1-OE1 3.56Å; H133-E136 PolarHBondContact ND1-OE1 3.16Å; H133-E136 VanDerWaalsContact ND1-OE1 3.12Å; H133-E136 IonicContact ND1-OE2 2.75Å; H133-E136 PolarHBondContact ND1-OE2 2.92Å; H133-E136 PolarHBondContact O-N 2.92Å; H133-E136 VanDerWaalsContact O-N 3.11Å; G134-E136 PolarHBondContact O-N 3.04Å; E136-R194 IonicContact OE1-NH1 3.8Å; E136-R194 PolarHBondContact OE1-NH1 2.66Å; E136-H240 IonicContact OE2-CE1 3.85Å; E136-H240 IonicContact OE2-CG 3.13Å; E136-H240 IonicContact OE2-ND1 3.32Å; E136-H240 PolarHBondContact OE2-ND1 2.96Å; E136-G241 WeakPolarHBondContact CG-O 3.26Å; E136-K339 HydrophobicContact CG-CB 4.23Å; E136-K339 HydrophobicContact CG-CD 4.06Å; E136-K339 HydrophobicContact CG-CG 4.1Å; E136-K339 IonicContact OE1-NZ 3.05Å; E136-K339 PolarHBondContact OE1-NZ 3.45Å
137	P	98.6	Very high	98.8	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.			trans	-81.4	-8.1	-170	34.1	-41.3	0	0	0	115.9	Y72 N135 G139 R140 E141 Y180 K339 F340	Y72-P137 HydrophobicContact CD1-CB 4.1Å; Y72-P137 HydrophobicContact CD1-CG 4.23Å; Y72-P137 HydrophobicContact CE1-CB 3.8Å; Y72-P137 HydrophobicContact CE1-CG 3.6Å; N135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-G139 PolarHBondContact O-N 2.93Å; P137-R140 WeakPolarHBondContact O-CA 3.3Å; P137-R140 VanDerWaalsContact O-CB 3.27Å; P137-R140 WeakPolarHBondContact O-CB 3.46Å; P137-R140 PolarHBondContact O-N 2.79Å; P137-E141 PolarHBondContact O-N 2.96Å; P137-Y180 HydrophobicContact CB-CD2 3.92Å; P137-Y180 HydrophobicContact CB-CE2 3.65Å; P137-K339 WeakPolarHBondContact CD-O 3.23Å; P137-F340 HydrophobicContact CG-CB 4.16Å; P137-F340 HydrophobicContact CG-CD1 3.73Å; P137-F340 HydrophobicContact CG-CD2 3.54Å; P137-F340 HydrophobicContact CG-CE1 3.96Å; P137-F340 HydrophobicContact CG-CE2 3.8Å; P137-F340 HydrophobicContact CG-CG 3.52Å; P137-F340 HydrophobicContact CG-CZ 4Å
138	V	98.8	Very high	98.8	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-56.6	-41.6	178.3	-174.2	0	0	0	0	110.3	R140 E141 M142 I335 P341 Y349	V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.19Å; V138-E141 PolarHBondContact O-N 2.79Å; V138-M142 HydrophobicContact CG1-CE 4.45Å; V138-M142 HydrophobicContact CG1-CG 4.18Å; V138-M142 WeakPolarHBondContact O-CB 3.5Å; V138-M142 VanDerWaalsContact O-CG 3.23Å; V138-M142 WeakPolarHBondContact O-CG 3.47Å; V138-M142 PolarHBondContact O-N 3.07Å; V138-I335 HydrophobicContact CB-CD1 4.38Å; V138-I335 HydrophobicContact CG1-CD1 3.86Å; V138-I335 HydrophobicContact CG1-CG1 4.33Å; V138-P341 VanDerWaalsContact CG2-CD 3.43Å; V138-P341 HydrophobicContact CG2-CG 3.54Å; V138-Y349 HydrophobicContact CG1-CD1 4.03Å; V138-Y349 HydrophobicContact CG1-CD2 4.14Å; V138-Y349 HydrophobicContact CG1-CG 3.71Å
139	G	98.8	Very high	98.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.8	-26.3	174.6	0	0	0	0	0	115.2	P137 L143	P137-G139 PolarHBondContact O-N 2.93Å; G139-L143 WeakPolarHBondContact O-CD1 3.14Å; G139-L143 VanDerWaalsContact O-CG 3.22Å; G139-L143 WeakPolarHBondContact O-CG 3.17Å; G139-L143 PolarHBondContact O-N 3.23Å
140	R	98.9	Very high	98.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-69	-55.4	174.8	167.7	-161.3	-172.6	99.1	-0.9	110.2	H73 D74 L78 N131 P137 V138 M142 L143 L144 P173 T174 Y180	H73-R140 VanDerWaalsContact O-CZ 3.24Å; H73-R140 PolarHBondContact O-NE 3.23Å; H73-R140 PolarHBondContact O-NH2 2.82Å; D74-R140 PolarHBondContact O-NH2 2.62Å; L78-R140 HydrophobicContact CD1-CG 4.19Å; N131-R140 HydrophobicContact CB-CB 3.83Å; P137-R140 WeakPolarHBondContact O-CA 3.3Å; P137-R140 VanDerWaalsContact O-CB 3.27Å; P137-R140 WeakPolarHBondContact O-CB 3.46Å; P137-R140 PolarHBondContact O-N 2.79Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.19Å; R140-M142 PolarHBondContact O-N 3.32Å; R140-L143 PolarHBondContact O-N 2.83Å; R140-L144 PolarHBondContact O-N 2.94Å; R140-P173 VanDerWaalsContact CA-O 3.24Å; R140-P173 WeakPolarHBondContact CA-O 3.43Å; R140-P173 WeakPolarHBondContact CB-O 3.12Å; R140-T174 PolarHBondContact NH1-OG1 3.29Å; R140-Y180 VanDerWaalsContact CD-CE2 3.4Å; R140-Y180 VanDerWaalsContact NH1-CG 3.28Å
141	E	98.9	Very high	98.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-67.6	-38.3	-176.7	-52	-50.9	152.6	0	0	111.5	Y72 H73 P137 V138 L143 L144 H145 L346	Y72-E141 HydrophobicContact CD1-CG 3.72Å; Y72-E141 HydrophobicContact CE1-CG 4.01Å; H73-E141 IonicContact CE1-OE2 2.64Å; H73-E141 IonicContact CG-OE2 2.65Å; H73-E141 PolarHBondContact N-OE1 2.77Å; H73-E141 IonicContact ND1-OE2 3.65Å; H73-E141 PolarHBondContact ND1-OE2 2.92Å; P137-E141 PolarHBondContact O-N 2.96Å; V138-E141 PolarHBondContact O-N 2.79Å; E141-L143 PolarHBondContact O-N 3.11Å; E141-L144 PolarHBondContact O-N 3Å; E141-L144 VanDerWaalsContact O-N 3.08Å; E141-H145 PolarHBondContact O-CD2 2.89Å; E141-H145 PolarHBondContact O-N 2.86Å; E141-L346 HydrophobicContact CB-CD2 4.06Å; E141-L346 HydrophobicContact CG-CD1 4.16Å; E141-L346 HydrophobicContact CG-CD2 4.09Å
142	M	98.8	Very high	98.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-56.1	-35.8	174.3	-71.2	-46.3	92.2	0	0	112.4	V138 R140 L146 L239 I335 L346 Y349 W350 N353 L357	V138-M142 HydrophobicContact CG1-CE 4.45Å; V138-M142 HydrophobicContact CG1-CG 4.18Å; V138-M142 WeakPolarHBondContact O-CB 3.5Å; V138-M142 VanDerWaalsContact O-CG 3.23Å; V138-M142 WeakPolarHBondContact O-CG 3.47Å; V138-M142 PolarHBondContact O-N 3.07Å; R140-M142 PolarHBondContact O-N 3.32Å; M142-L146 VanDerWaalsContact O-CB 3.27Å; M142-L146 WeakPolarHBondContact O-CB 3.26Å; M142-L146 PolarHBondContact O-N 2.75Å; M142-L239 HydrophobicContact CB-CD2 4.37Å; M142-I335 HydrophobicContact CB-CD1 4.39Å; M142-I335 HydrophobicContact CG-CD1 3.65Å; M142-L346 HydrophobicContact CE-CD2 4.48Å; M142-L346 WeakPolarHBondContact CE-O 3.47Å; M142-Y349 VanDerWaalsContact SD-C 3.55Å; M142-W350 HydrophobicContact CE-CB 4.06Å; M142-W350 WeakPolarHBondContact SD-CA 3.42Å; M142-W350 HydrophobicContact SD-CB 3.9Å; M142-W350 HydrophobicContact SD-CE3 4.22Å; M142-W350 PolarHBondContact SD-N 2.73Å; M142-N353 HydrophobicContact SD-CB 4.5Å; M142-L357 HydrophobicContact CB-CD1 4.41Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-78.7	-29.2	178.8	-69.6	178.7	0	0	0	113.1	Y128 G139 R140 E141 L146 I147 I171 P173 L239	Y128-L143 HydrophobicContact CD2-CD2 3.79Å; Y128-L143 HydrophobicContact CG-CD2 3.8Å; G139-L143 WeakPolarHBondContact O-CD1 3.14Å; G139-L143 VanDerWaalsContact O-CG 3.22Å; G139-L143 WeakPolarHBondContact O-CG 3.17Å; G139-L143 PolarHBondContact O-N 3.23Å; R140-L143 PolarHBondContact O-N 2.83Å; E141-L143 PolarHBondContact O-N 3.11Å; L143-L146 HydrophobicContact CD2-CD2 4Å; L143-I147 WeakPolarHBondContact O-CD1 3.36Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 2.77Å; L143-I171 HydrophobicContact CB-CG2 3.65Å; L143-I171 HydrophobicContact CD1-CG2 4.16Å; L143-I171 HydrophobicContact CD2-CG2 4.02Å; L143-I171 HydrophobicContact CG-CG2 4.12Å; L143-P173 HydrophobicContact CB-CB 4.2Å; L143-L239 HydrophobicContact CD1-CD1 4.43Å; L143-L239 HydrophobicContact CD1-CD2 4.27Å; L143-L239 HydrophobicContact CD2-CD2 4.05Å; L143-L239 HydrophobicContact CG-CD2 3.93Å
144	L	98.8	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-69.2	-44.4	170.5	-58.2	-171.1	0	0	0	111.6	L68 H73 L78 F81 L82 R140 E141 L146 I147 Q148 P173	L68-L144 HydrophobicContact CD2-CB 3.52Å; H73-L144 HydrophobicContact CB-CD1 4.13Å; L78-L144 HydrophobicContact CB-CD1 4.38Å; L78-L144 HydrophobicContact CD1-CD1 4.22Å; L78-L144 HydrophobicContact CD1-CD2 4.25Å; L78-L144 HydrophobicContact CG-CD1 4.15Å; L78-L144 HydrophobicContact CG-CD2 4.08Å; F81-L144 HydrophobicContact CD1-CB 4.29Å; F81-L144 HydrophobicContact CD1-CD1 4.41Å; F81-L144 HydrophobicContact CD1-CD2 4.02Å; F81-L144 HydrophobicContact CD1-CG 4.47Å; F81-L144 HydrophobicContact CE1-CB 3.91Å; F81-L144 HydrophobicContact CE1-CD2 4.05Å; F81-L144 HydrophobicContact CE1-CG 4.46Å; F81-L144 WeakPolarHBondContact CZ-O 3.29Å; L82-L144 HydrophobicContact CD2-CD2 4.06Å; R140-L144 PolarHBondContact O-N 2.94Å; E141-L144 PolarHBondContact O-N 3Å; E141-L144 VanDerWaalsContact O-N 3.08Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 2.79Å; L144-I147 PolarHBondContact O-N 3.44Å; L144-Q148 PolarHBondContact O-N 2.92Å; L144-P173 HydrophobicContact CD2-CB 3.63Å; L144-P173 HydrophobicContact CD2-CG 3.54Å; L144-P173 HydrophobicContact CG-CB 4.31Å
145	H	98.6	Very high	98.1	Very high	6 Å²	6	15 Å²	15	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-65.4	-33.7	173.7	-67.3	-70.6	0	0	0	112.2	L68 F70 E141 Q148 Y149 W350	L68-H145 PolarHBondContact O-CE1 3.36Å; L68-H145 VanDerWaalsContact O-CE1 3.31Å; F70-H145 AromaticContact CD1-CD2 3.86Å; F70-H145 AromaticContact CD1-CE1 3.38Å; F70-H145 WeakPolarHBondContact CD1-CE1 3.47Å; F70-H145 AromaticContact CD1-NE2 3.18Å; F70-H145 WeakPolarHBondContact CD1-NE2 3.35Å; F70-H145 AromaticContact CE1-CD2 3.65Å; F70-H145 AromaticContact CE1-CE1 3.39Å; F70-H145 WeakPolarHBondContact CE1-CE1 3.37Å; F70-H145 AromaticContact CE1-CG 3.79Å; F70-H145 AromaticContact CE1-ND1 3.62Å; F70-H145 AromaticContact CE1-NE2 3.4Å; F70-H145 WeakPolarHBondContact CE1-NE2 3.33Å; F70-H145 AromaticContact CG-CE1 3.91Å; F70-H145 AromaticContact CZ-CE1 3.94Å; F70-H145 AromaticContact CZ-ND1 3.94Å; E141-H145 PolarHBondContact O-CD2 2.89Å; E141-H145 PolarHBondContact O-N 2.86Å; H145-Q148 PolarHBondContact O-N 2.81Å; H145-Y149 VanDerWaalsContact O-CB 3.3Å; H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.48Å; H145-W350 HydrophobicContact CB-CD2 3.94Å; H145-W350 HydrophobicContact CB-CE3 3.59Å; H145-W350 HydrophobicContact CB-CH2 4.38Å; H145-W350 HydrophobicContact CB-CZ3 3.84Å
146	L	98.8	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-43.7	173.5	-172.8	64.6	0	0	0	112.2	Y128 M142 L143 L144 Q148 Y149 F150 I171 W350 L357 I358 L361	Y128-L146 HydrophobicContact CD2-CD2 3.81Å; Y128-L146 HydrophobicContact CE2-CD2 3.92Å; M142-L146 VanDerWaalsContact O-CB 3.27Å; M142-L146 WeakPolarHBondContact O-CB 3.26Å; M142-L146 PolarHBondContact O-N 2.75Å; L143-L146 HydrophobicContact CD2-CD2 4Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 2.79Å; L146-Q148 PolarHBondContact O-N 3.01Å; L146-Y149 PolarHBondContact O-N 3.05Å; L146-F150 HydrophobicContact CD1-CD2 4.25Å; L146-F150 HydrophobicContact CD1-CE1 4.11Å; L146-F150 HydrophobicContact CD1-CE2 3.73Å; L146-F150 HydrophobicContact CD1-CZ 3.67Å; L146-F150 HydrophobicContact CD2-CE2 3.99Å; L146-F150 HydrophobicContact CD2-CZ 4.44Å; L146-F150 HydrophobicContact CG-CD2 3.99Å; L146-F150 HydrophobicContact CG-CE2 3.59Å; L146-F150 HydrophobicContact CG-CZ 4.07Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 WeakPolarHBondContact O-CD2 3.43Å; L146-F150 WeakPolarHBondContact O-CG 3.44Å; L146-F150 PolarHBondContact O-N 3.44Å; L146-I171 HydrophobicContact CD2-CD1 4.08Å; L146-I171 HydrophobicContact CG-CD1 4.32Å; L146-W350 HydrophobicContact CB-CH2 4.33Å; L146-W350 HydrophobicContact CB-CZ3 4.04Å; L146-W350 HydrophobicContact CD1-CH2 4.17Å; L146-W350 HydrophobicContact CD1-CZ3 4.42Å; L146-L357 HydrophobicContact CD1-CB 4.16Å; L146-L357 HydrophobicContact CD2-CB 4.17Å; L146-L357 HydrophobicContact CD2-CD1 4.48Å; L146-I358 HydrophobicContact CD1-CG1 4.21Å; L146-L361 HydrophobicContact CD2-CD1 4.48Å
147	I	98.8	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-49.3	173	-71	163.6	0	0	0	110.2	F81 L82 T85 M110 V112 L143 L144 F150 V151 I171 P173	F81-I147 HydrophobicContact CE1-CB 4.45Å; F81-I147 HydrophobicContact CE1-CG2 4.25Å; F81-I147 HydrophobicContact CZ-CG2 4.24Å; L82-I147 HydrophobicContact CD2-CD1 3.6Å; T85-I147 HydrophobicContact CG2-CG2 3.94Å; M110-I147 HydrophobicContact CB-CD1 3.69Å; M110-I147 HydrophobicContact CB-CG1 4.27Å; M110-I147 HydrophobicContact CG-CD1 4.02Å; M110-I147 HydrophobicContact CG-CG1 4.17Å; M110-I147 HydrophobicContact CG-CG2 4.07Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; L143-I147 WeakPolarHBondContact O-CD1 3.36Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.37Å; L143-I147 PolarHBondContact O-N 2.77Å; L144-I147 PolarHBondContact O-N 3.44Å; I147-F150 PolarHBondContact O-N 3.44Å; I147-V151 PolarHBondContact O-N 3.11Å; I147-I171 HydrophobicContact CD1-CB 4.11Å; I147-I171 HydrophobicContact CD1-CG2 3.8Å; I147-I171 HydrophobicContact CG1-CB 4.17Å; I147-I171 HydrophobicContact CG1-CD1 3.68Å; I147-I171 HydrophobicContact CG1-CG1 4.49Å; I147-I171 HydrophobicContact CG1-CG2 4.06Å; I147-P173 HydrophobicContact CD1-CG 4.27Å
148	Q	97.6	Very high	97.7	Very high	20 Å²	20	29.1 Å²	29.1	9%	0.093	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-45.9	179.3	178	166.3	82.5	0	0	112.6	L68 F81 L144 H145 L146 F150 V151 T152	L68-Q148 VanDerWaalsContact CB-OE1 3.31Å; L68-Q148 VanDerWaalsContact N-CD 3.32Å; F81-Q148 HydrophobicContact CE2-CB 4.38Å; F81-Q148 HydrophobicContact CZ-CB 4.1Å; L144-Q148 PolarHBondContact O-N 2.92Å; H145-Q148 PolarHBondContact O-N 2.81Å; L146-Q148 PolarHBondContact O-N 3.01Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 3.09Å; Q148-V151 WeakPolarHBondContact O-CG2 3.49Å; Q148-V151 PolarHBondContact O-N 3.43Å; Q148-T152 HydrophobicContact CG-CG2 4.14Å; Q148-T152 WeakPolarHBondContact O-CB 3.32Å; Q148-T152 WeakPolarHBondContact O-CG2 3.5Å; Q148-T152 PolarHBondContact O-N 3.2Å; Q148-T152 PolarHBondContact O-OG1 2.97Å
149	Y	98	Very high	97.7	Very high	45 Å²	45	32.8 Å²	32.8	18%	0.176	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-40.7	-178.6	173.1	-101.2	0	0	0	111.5	H145 L146 T152 S153 D157 V160 W350 I358	H145-Y149 VanDerWaalsContact O-CB 3.3Å; H145-Y149 WeakPolarHBondContact O-CB 3.33Å; H145-Y149 PolarHBondContact O-N 3.48Å; L146-Y149 PolarHBondContact O-N 3.05Å; Y149-T152 PolarHBondContact O-OG1 2.92Å; Y149-S153 WeakPolarHBondContact CD2-OG 3.46Å; Y149-S153 WeakPolarHBondContact CE2-OG 3.46Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.33Å; Y149-S153 PolarHBondContact O-OG 3.42Å; Y149-D157 PolarHBondContact OH-OD2 3.25Å; Y149-D157 VanDerWaalsContact OH-OD2 3.07Å; Y149-V160 HydrophobicContact CD1-CG2 4.47Å; Y149-V160 HydrophobicContact CE1-CG2 3.53Å; Y149-W350 HydrophobicContact CD1-CH2 4.47Å; Y149-W350 HydrophobicContact CD1-CZ2 4.48Å; Y149-W350 HydrophobicContact CD2-CZ2 4.35Å; Y149-W350 HydrophobicContact CG-CH2 4.2Å; Y149-W350 AromaticContact CG-CZ2 3.92Å; Y149-W350 HydrophobicContact CG-CZ2 3.92Å; Y149-I358 HydrophobicContact CD1-CD1 3.92Å; Y149-I358 HydrophobicContact CE1-CD1 3.34Å; Y149-I358 HydrophobicContact CE1-CG1 4.28Å
150	F	98.3	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-47.3	176.2	-76.9	-29.2	0	0	0	113.1	V112 L146 I147 Q148 T152 S153 Y154 V160 L163 L164 I169 I171 I358 L361	V112-F150 HydrophobicContact CB-CD2 4.49Å; V112-F150 HydrophobicContact CG1-CB 3.81Å; V112-F150 HydrophobicContact CG1-CD2 4.34Å; V112-F150 HydrophobicContact CG1-CG 4.5Å; L146-F150 HydrophobicContact CD1-CD2 4.25Å; L146-F150 HydrophobicContact CD1-CE1 4.11Å; L146-F150 HydrophobicContact CD1-CE2 3.73Å; L146-F150 HydrophobicContact CD1-CZ 3.67Å; L146-F150 HydrophobicContact CD2-CE2 3.99Å; L146-F150 HydrophobicContact CD2-CZ 4.44Å; L146-F150 HydrophobicContact CG-CD2 3.99Å; L146-F150 HydrophobicContact CG-CE2 3.59Å; L146-F150 HydrophobicContact CG-CZ 4.07Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 WeakPolarHBondContact O-CD2 3.43Å; L146-F150 WeakPolarHBondContact O-CG 3.44Å; L146-F150 PolarHBondContact O-N 3.44Å; I147-F150 PolarHBondContact O-N 3.44Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 3.09Å; F150-T152 PolarHBondContact O-N 3.4Å; F150-S153 PolarHBondContact O-N 2.96Å; F150-Y154 PolarHBondContact O-N 2.6Å; F150-V160 HydrophobicContact CD1-CG1 3.84Å; F150-V160 HydrophobicContact CD1-CG2 4.34Å; F150-L163 HydrophobicContact CE1-CD2 4.03Å; F150-L163 HydrophobicContact CZ-CD2 3.98Å; F150-L164 HydrophobicContact CB-CD1 4.12Å; F150-L164 HydrophobicContact CB-CD2 4.42Å; F150-L164 HydrophobicContact CD2-CD2 4.4Å; F150-L164 HydrophobicContact CG-CD2 4.25Å; F150-I169 HydrophobicContact CD2-CD1 4.19Å; F150-I169 HydrophobicContact CE2-CD1 3.57Å; F150-I169 HydrophobicContact CZ-CD1 3.85Å; F150-I171 HydrophobicContact CD2-CD1 4.5Å; F150-I171 HydrophobicContact CE2-CD1 4.45Å; F150-I358 HydrophobicContact CE1-CG1 4.07Å; F150-I358 HydrophobicContact CZ-CG1 4.44Å; F150-L361 HydrophobicContact CE2-CD1 4.07Å; F150-L361 HydrophobicContact CZ-CD1 3.8Å
151	V	97.6	Very high	97.6	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-72.3	-28.4	-178.3	-59.6	0	0	0	0	113.7	T85 Y89 T93 V112 I147 Q148	T85-V151 HydrophobicContact CG2-CG1 4.29Å; T85-V151 HydrophobicContact CG2-CG2 4.21Å; Y89-V151 HydrophobicContact CD1-CB 3.94Å; Y89-V151 HydrophobicContact CD1-CG2 4.46Å; Y89-V151 HydrophobicContact CD2-CB 3.78Å; Y89-V151 HydrophobicContact CD2-CG1 4.31Å; Y89-V151 HydrophobicContact CD2-CG2 3.61Å; Y89-V151 HydrophobicContact CE1-CB 4.2Å; Y89-V151 HydrophobicContact CE1-CG2 4.4Å; Y89-V151 WeakPolarHBondContact CE1-O 3.25Å; Y89-V151 HydrophobicContact CE2-CB 4.05Å; Y89-V151 HydrophobicContact CE2-CG2 3.52Å; Y89-V151 HydrophobicContact CG-CB 3.72Å; Y89-V151 HydrophobicContact CG-CG1 4.19Å; Y89-V151 HydrophobicContact CG-CG2 4.1Å; T93-V151 HydrophobicContact CG2-CG1 3.48Å; T93-V151 VanDerWaalsContact CG2-CG1 3.48Å; V112-V151 HydrophobicContact CG1-CG1 4.23Å; I147-V151 PolarHBondContact O-N 3.11Å; Q148-V151 WeakPolarHBondContact O-CG2 3.49Å; Q148-V151 PolarHBondContact O-N 3.43Å
152	T	96.1	Very high	97.5	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.362	20%	0.197	S	C	.	.	H	α-helix	trans	-80.9	-32.3	175.8	54	0	0	0	0	112.6	Q148 Y149 F150	Q148-T152 HydrophobicContact CG-CG2 4.14Å; Q148-T152 WeakPolarHBondContact O-CB 3.32Å; Q148-T152 WeakPolarHBondContact O-CG2 3.5Å; Q148-T152 PolarHBondContact O-N 3.2Å; Q148-T152 PolarHBondContact O-OG1 2.97Å; Y149-T152 PolarHBondContact O-OG1 2.92Å; F150-T152 PolarHBondContact O-N 3.4Å
153	S	96.3	Very high	97.5	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-93.2	-10.9	-173.8	-49.6	0	0	0	0	115.1	Y149 F150 N155 T156 D157	Y149-S153 WeakPolarHBondContact CD2-OG 3.46Å; Y149-S153 WeakPolarHBondContact CE2-OG 3.46Å; Y149-S153 WeakPolarHBondContact O-CB 3.48Å; Y149-S153 PolarHBondContact O-N 3.33Å; Y149-S153 PolarHBondContact O-OG 3.42Å; F150-S153 PolarHBondContact O-N 2.96Å; S153-N155 PolarHBondContact O-N 3.42Å; S153-T156 WeakPolarHBondContact CA-OG1 3.32Å; S153-T156 PolarHBondContact O-N 2.85Å; S153-T156 PolarHBondContact O-OG1 3.02Å; S153-D157 PolarHBondContact O-N 3.04Å
154	Y	97	Very high	97.4	Very high	33 Å²	33	40.4 Å²	40.4	13%	0.129	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29	-176.7	173.3	-102.1	0	0	0	115.3	L92 F150 K161 L164 D165	L92-Y154 HydrophobicContact CD1-CD1 3.74Å; L92-Y154 HydrophobicContact CD1-CG 3.78Å; L92-Y154 HydrophobicContact CD2-CD1 3.74Å; L92-Y154 HydrophobicContact CD2-CD2 4.01Å; L92-Y154 HydrophobicContact CD2-CE1 3.78Å; L92-Y154 HydrophobicContact CD2-CE2 4.06Å; L92-Y154 HydrophobicContact CD2-CG 3.84Å; L92-Y154 HydrophobicContact CG-CD1 4.32Å; L92-Y154 HydrophobicContact CG-CG 4.48Å; F150-Y154 PolarHBondContact O-N 2.6Å; Y154-K161 HydrophobicContact CD2-CB 4.37Å; Y154-K161 HydrophobicContact CD2-CG 4.26Å; Y154-K161 HydrophobicContact CE2-CB 4.49Å; Y154-K161 HydrophobicContact CE2-CD 4.46Å; Y154-K161 HydrophobicContact CE2-CG 3.9Å; Y154-K161 WeakPolarHBondContact O-CB 3.46Å; Y154-K161 PolarHBondContact OH-NZ 3.45Å; Y154-L164 HydrophobicContact CD2-CB 3.97Å; Y154-L164 HydrophobicContact CD2-CD1 3.88Å; Y154-L164 HydrophobicContact CD2-CG 4.45Å; Y154-L164 HydrophobicContact CE2-CB 4.26Å; Y154-L164 HydrophobicContact CG-CD1 4.36Å; Y154-D165 PolarHBondContact OH-OD1 2.87Å
155	N	95.2	Very high	97.4	Very high	130 Å²	130	42.6 Å²	42.6	70%	0.695	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-3.6	179	-68.1	-42.8	0	0	0	114	S153	S153-N155 PolarHBondContact O-N 3.42Å
156	T	95.2	Very high	97.3	Very high	110 Å²	110	45.4 Å²	45.4	68%	0.675	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-35	-171.2	54.2	0	0	0	0	113.4	S153	S153-T156 WeakPolarHBondContact CA-OG1 3.32Å; S153-T156 PolarHBondContact O-N 2.85Å; S153-T156 PolarHBondContact O-OG1 3.02Å
157	D	96	Very high	97.3	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	22%	0.224	S	C	.	.			trans	-101.7	115.3	176.5	-175.9	-42.3	0	0	0	109.9	Y149 S153 Y159 V160 K161	Y149-D157 PolarHBondContact OH-OD2 3.25Å; Y149-D157 VanDerWaalsContact OH-OD2 3.07Å; S153-D157 PolarHBondContact O-N 3.04Å; D157-Y159 VanDerWaalsContact C-N 3.29Å; D157-Y159 PolarHBondContact O-N 3.46Å; D157-Y159 WeakPolarHBondContact OD1-CA 3.45Å; D157-Y159 VanDerWaalsContact OD1-CB 3.31Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.35Å; D157-Y159 PolarHBondContact OD1-N 1.84Å; D157-V160 HydrophobicContact CB-CB 3.98Å; D157-V160 HydrophobicContact CB-CG2 3.94Å; D157-V160 PolarHBondContact O-N 2.69Å; D157-V160 PolarHBondContact OD1-N 2.8Å; D157-K161 WeakPolarHBondContact O-CB 3.4Å; D157-K161 PolarHBondContact O-N 3.34Å
158	Q	97.4	Very high	97.3	Very high	139 Å²	139	46.4 Å²	46.4	65%	0.65	23%	0.228	S	C	*	.	H	α-helix	trans	-69	-25.1	-177.9	-62.9	-62.2	-31.2	0	0	113.3	W162	Q158-W162 VanDerWaalsContact O-CB 3.31Å; Q158-W162 WeakPolarHBondContact O-CB 3.26Å; Q158-W162 PolarHBondContact O-N 2.79Å
159	Y	96.8	Very high	97.3	Very high	77 Å²	77	45.4 Å²	45.4	30%	0.302	22%	0.223	S	C	.	.	H	α-helix	trans	-76.9	-42	175.9	-167.8	-93.5	0	0	0	110.9	D157 W162 L163 I358 K359 A362	D157-Y159 VanDerWaalsContact C-N 3.29Å; D157-Y159 PolarHBondContact O-N 3.46Å; D157-Y159 WeakPolarHBondContact OD1-CA 3.45Å; D157-Y159 VanDerWaalsContact OD1-CB 3.31Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.35Å; D157-Y159 PolarHBondContact OD1-N 1.84Å; Y159-W162 PolarHBondContact O-N 2.9Å; Y159-L163 WeakPolarHBondContact O-CB 3.39Å; Y159-L163 PolarHBondContact O-N 3.37Å; Y159-I358 HydrophobicContact CD1-CG2 3.72Å; Y159-I358 HydrophobicContact CE1-CG2 3.62Å; Y159-K359 HydrophobicContact CE1-CD 4.18Å; Y159-K359 VanDerWaalsContact CZ-NZ 3.29Å; Y159-A362 WeakPolarHBondContact OH-CB 3.18Å
160	V	97.9	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-45.4	170.1	173.1	0	0	0	0	110.4	Y149 F150 D157 L163 L164	Y149-V160 HydrophobicContact CD1-CG2 4.47Å; Y149-V160 HydrophobicContact CE1-CG2 3.53Å; F150-V160 HydrophobicContact CD1-CG1 3.84Å; F150-V160 HydrophobicContact CD1-CG2 4.34Å; D157-V160 HydrophobicContact CB-CB 3.98Å; D157-V160 HydrophobicContact CB-CG2 3.94Å; D157-V160 PolarHBondContact O-N 2.69Å; D157-V160 PolarHBondContact OD1-N 2.8Å; V160-L163 PolarHBondContact O-N 2.91Å; V160-L164 HydrophobicContact CG1-CD1 4.08Å; V160-L164 HydrophobicContact CG1-CG 4.26Å; V160-L164 WeakPolarHBondContact O-CG 3.29Å; V160-L164 PolarHBondContact O-N 2.97Å
161	K	98.1	Very high	97.4	Very high	58 Å²	58	43.4 Å²	43.4	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-55.8	-54.1	175.9	-179.5	156.4	173.2	46.9	0	111.7	Y154 D157 L163 L164 D165	Y154-K161 HydrophobicContact CD2-CB 4.37Å; Y154-K161 HydrophobicContact CD2-CG 4.26Å; Y154-K161 HydrophobicContact CE2-CB 4.49Å; Y154-K161 HydrophobicContact CE2-CD 4.46Å; Y154-K161 HydrophobicContact CE2-CG 3.9Å; Y154-K161 WeakPolarHBondContact O-CB 3.46Å; Y154-K161 PolarHBondContact OH-NZ 3.45Å; D157-K161 WeakPolarHBondContact O-CB 3.4Å; D157-K161 PolarHBondContact O-N 3.34Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.1Å; K161-L164 PolarHBondContact O-N 3.02Å; K161-D165 WeakPolarHBondContact CG-OD2 3.39Å; K161-D165 IonicContact NZ-OD1 2.84Å; K161-D165 IonicContact NZ-OD2 3.24Å; K161-D165 PolarHBondContact NZ-OD2 3.3Å; K161-D165 VanDerWaalsContact O-CB 3.3Å; K161-D165 WeakPolarHBondContact O-CB 3.31Å; K161-D165 PolarHBondContact O-N 2.85Å
162	W	97.6	Very high	97.5	Very high	103 Å²	103	43.1 Å²	43.1	39%	0.39	21%	0.214	S	C	.	.	H	α-helix	trans	-57.1	-43	177.6	174.1	85	0	0	0	112.3	Q158 Y159 D165 N166 A362 H365	Q158-W162 VanDerWaalsContact O-CB 3.31Å; Q158-W162 WeakPolarHBondContact O-CB 3.26Å; Q158-W162 PolarHBondContact O-N 2.79Å; Y159-W162 PolarHBondContact O-N 2.9Å; W162-D165 PolarHBondContact O-N 2.88Å; W162-N166 VanDerWaalsContact CD1-ND2 3.34Å; W162-N166 PolarHBondContact NE1-ND2 2.84Å; W162-N166 WeakPolarHBondContact O-CB 3.48Å; W162-N166 PolarHBondContact O-N 3.39Å; W162-N166 PolarHBondContact O-ND2 3.36Å; W162-A362 HydrophobicContact CZ3-CB 4.18Å; W162-H365 HydrophobicContact CH2-CB 4.17Å; W162-H365 AromaticContact CH2-CD2 3.45Å; W162-H365 VanDerWaalsContact CH2-CD2 3.45Å; W162-H365 WeakPolarHBondContact CH2-CD2 3.37Å; W162-H365 AromaticContact CH2-CG 3.84Å
163	L	98	Very high	97.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-45.1	179.9	-173.6	68.3	0	0	0	111.8	F150 Y159 V160 K161 D165 N166 T167 I169 L361 A362	F150-L163 HydrophobicContact CE1-CD2 4.03Å; F150-L163 HydrophobicContact CZ-CD2 3.98Å; Y159-L163 WeakPolarHBondContact O-CB 3.39Å; Y159-L163 PolarHBondContact O-N 3.37Å; V160-L163 PolarHBondContact O-N 2.91Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.1Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-N166 PolarHBondContact O-N 2.94Å; L163-T167 WeakPolarHBondContact CD1-OG1 3.34Å; L163-T167 WeakPolarHBondContact O-CA 3.42Å; L163-T167 WeakPolarHBondContact O-CB 3.25Å; L163-T167 PolarHBondContact O-N 3.44Å; L163-T167 PolarHBondContact O-OG1 3.14Å; L163-I169 HydrophobicContact CD2-CD1 4.17Å; L163-I169 HydrophobicContact CG-CD1 4.26Å; L163-L361 HydrophobicContact CD1-CB 4.45Å; L163-L361 HydrophobicContact CD2-CB 4.23Å; L163-A362 HydrophobicContact CD1-CB 4.18Å
164	L	98.3	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.2	-25.8	177.2	-62.3	-172.3	0	0	0	113.1	V112 S113 S114 F150 Y154 V160 K161 I169	V112-L164 HydrophobicContact CB-CD2 4.3Å; V112-L164 HydrophobicContact CG1-CD1 4.06Å; V112-L164 HydrophobicContact CG1-CD2 3.83Å; S113-L164 PolarHBondContact OG-O 3.14Å; S114-L164 PolarHBondContact N-O 2.94Å; S114-L164 PolarHBondContact OG-O 3.02Å; F150-L164 HydrophobicContact CB-CD1 4.12Å; F150-L164 HydrophobicContact CB-CD2 4.42Å; F150-L164 HydrophobicContact CD2-CD2 4.4Å; F150-L164 HydrophobicContact CG-CD2 4.25Å; Y154-L164 HydrophobicContact CD2-CB 3.97Å; Y154-L164 HydrophobicContact CD2-CD1 3.88Å; Y154-L164 HydrophobicContact CD2-CG 4.45Å; Y154-L164 HydrophobicContact CE2-CB 4.26Å; Y154-L164 HydrophobicContact CG-CD1 4.36Å; V160-L164 HydrophobicContact CG1-CD1 4.08Å; V160-L164 HydrophobicContact CG1-CG 4.26Å; V160-L164 WeakPolarHBondContact O-CG 3.29Å; V160-L164 PolarHBondContact O-N 2.97Å; K161-L164 PolarHBondContact O-N 3.02Å; L164-I169 HydrophobicContact CD2-CD1 3.58Å
165	D	97.8	Very high	97.8	Very high	46 Å²	46	38.3 Å²	38.3	25%	0.246	19%	0.187	C	C	.	.	H	α-helix	trans	-75.2	-29.5	174.5	-80.1	-28.9	0	0	0	113.4	S114 K123 Y154 K161 W162 L163	S114-D165 VanDerWaalsContact CB-OD1 3.22Å; S114-D165 WeakPolarHBondContact CB-OD1 3.49Å; S114-D165 WeakPolarHBondContact OG-CA 3.34Å; S114-D165 PolarHBondContact OG-OD1 3.38Å; K123-D165 WeakPolarHBondContact CE-O 3.45Å; K123-D165 PolarHBondContact NZ-O 3.1Å; Y154-D165 PolarHBondContact OH-OD1 2.87Å; K161-D165 WeakPolarHBondContact CG-OD2 3.39Å; K161-D165 IonicContact NZ-OD1 2.84Å; K161-D165 IonicContact NZ-OD2 3.24Å; K161-D165 PolarHBondContact NZ-OD2 3.3Å; K161-D165 VanDerWaalsContact O-CB 3.3Å; K161-D165 WeakPolarHBondContact O-CB 3.31Å; K161-D165 PolarHBondContact O-N 2.85Å; W162-D165 PolarHBondContact O-N 2.88Å; L163-D165 VanDerWaalsContact C-N 3.32Å
166	N	97.4	Very high	98	Very high	65 Å²	65	32.1 Å²	32.1	35%	0.348	15%	0.154	S	C	.	.	H	α-helix	trans	-109.2	-18.1	-175.7	-65.4	-89.9	0	0	0	113.8	K123 P124 W162 L163 H365	K123-N166 WeakPolarHBondContact CA-O 3.26Å; K123-N166 VanDerWaalsContact CB-O 3.31Å; K123-N166 WeakPolarHBondContact CB-O 3.47Å; K123-N166 WeakPolarHBondContact CG-O 3.38Å; P124-N166 WeakPolarHBondContact CD-O 3.45Å; W162-N166 VanDerWaalsContact CD1-ND2 3.34Å; W162-N166 PolarHBondContact NE1-ND2 2.84Å; W162-N166 WeakPolarHBondContact O-CB 3.48Å; W162-N166 PolarHBondContact O-N 3.39Å; W162-N166 PolarHBondContact O-ND2 3.36Å; L163-N166 PolarHBondContact O-N 2.94Å; N166-H365 PolarHBondContact O-CE1 3.01Å
167	T	98.1	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.			trans	-114.4	151.4	-179	-50.6	0	0	0	0	111.7	S113 V126 L163 I169 H365	S113-T167 WeakPolarHBondContact CB-O 3.48Å; S113-T167 PolarHBondContact OG-O 3.39Å; V126-T167 HydrophobicContact CB-CG2 4.3Å; V126-T167 HydrophobicContact CG1-CG2 3.92Å; V126-T167 HydrophobicContact CG2-CG2 3.39Å; L163-T167 WeakPolarHBondContact CD1-OG1 3.34Å; L163-T167 WeakPolarHBondContact O-CA 3.42Å; L163-T167 WeakPolarHBondContact O-CB 3.25Å; L163-T167 PolarHBondContact O-N 3.44Å; L163-T167 PolarHBondContact O-OG1 3.14Å; T167-I169 HydrophobicContact CG2-CG1 3.74Å; T167-H365 PolarHBondContact OG1-NE2 2.72Å
168	R	98.4	Very high	98.3	Very high	20 Å²	20	24.5 Å²	24.5	8%	0.075	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97.7	165.9	-167.3	162.9	174.6	-102.2	4.4	110	V111 P116 Y117 E118 P124 D125 V126 H170	V111-R168 HydrophobicContact CG1-CG 3.84Å; P116-R168 PolarHBondContact O-NE 2.81Å; P116-R168 PolarHBondContact O-NH2 2.83Å; Y117-R168 PolarHBondContact O-NH2 3.46Å; E118-R168 PolarHBondContact O-NE 2.98Å; P124-R168 PolarHBondContact O-N 2.9Å; D125-R168 WeakPolarHBondContact CA-O 3.25Å; D125-R168 WeakPolarHBondContact OD1-CB 3.44Å; D125-R168 VanDerWaalsContact OD1-CD 3.32Å; D125-R168 WeakPolarHBondContact OD1-CD 3.46Å; D125-R168 VanDerWaalsContact OD1-CG 3.31Å; D125-R168 WeakPolarHBondContact OD1-CG 3.23Å; D125-R168 IonicContact OD1-CZ 2.74Å; D125-R168 IonicContact OD1-NE 2.66Å; D125-R168 IonicContact OD1-NH1 3.58Å; D125-R168 PolarHBondContact OD1-NH1 2.95Å; D125-R168 IonicContact OD2-NH1 2.96Å; V126-R168 PolarHBondContact N-O 3.07Å; R168-H170 VanDerWaalsContact CG-NE2 3.34Å; R168-H170 WeakPolarHBondContact CG-NE2 3.48Å; R168-H170 PolarHBondContact NH1-CE1 3.13Å; R168-H170 PolarHBondContact NH1-NE2 3.03Å; R168-H170 PolarHBondContact NH2-CE1 3.43Å; R168-H170 VanDerWaalsContact NH2-CE1 3.33Å; R168-H170 PolarHBondContact O-CD2 3.37Å
169	I	98.9	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126	-171.9	-48.8	169.4	0	0	0	109.2	V111 V112 V126 F150 L163 L164 T167 I171 L361	V111-I169 CarbonylContact C-O 3.55Å; V111-I169 VanDerWaalsContact CA-O 3.29Å; V111-I169 WeakPolarHBondContact CA-O 3.36Å; V112-I169 PolarHBondContact N-O 3.09Å; V112-I169 WeakPolarHBondContact O-CB 3.37Å; V112-I169 PolarHBondContact O-N 2.88Å; V126-I169 HydrophobicContact CG2-CB 4.2Å; V126-I169 HydrophobicContact CG2-CG1 4.01Å; V126-I169 HydrophobicContact CG2-CG2 4.16Å; F150-I169 HydrophobicContact CD2-CD1 4.19Å; F150-I169 HydrophobicContact CE2-CD1 3.57Å; F150-I169 HydrophobicContact CZ-CD1 3.85Å; L163-I169 HydrophobicContact CD2-CD1 4.17Å; L163-I169 HydrophobicContact CG-CD1 4.26Å; L164-I169 HydrophobicContact CD2-CD1 3.58Å; T167-I169 HydrophobicContact CG2-CG1 3.74Å; I169-I171 HydrophobicContact CG2-CD1 4.13Å; I169-I171 HydrophobicContact CG2-CG1 3.91Å; I169-L361 HydrophobicContact CD1-CD1 4.18Å; I169-L361 HydrophobicContact CG2-CD1 4.14Å; I169-L361 HydrophobicContact CG2-CD2 4.21Å
170	H	98.9	Very high	98.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.009	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	173.7	-62.7	-109.8	0	0	0	111	Y96 V109 D125 V126 K127 Y128 R168 W227 I231 F233	Y96-H170 AromaticContact CE1-ND1 3.82Å; Y96-H170 AromaticContact CZ-ND1 3.77Å; Y96-H170 PolarHBondContact OH-CE1 3.01Å; Y96-H170 PolarHBondContact OH-ND1 2.83Å; V109-H170 HydrophobicContact CG1-CB 3.84Å; D125-H170 IonicContact OD1-CD2 2.69Å; D125-H170 IonicContact OD1-NE2 2.65Å; D125-H170 PolarHBondContact OD1-NE2 3.08Å; D125-H170 IonicContact OD2-NE2 2.88Å; V126-H170 PolarHBondContact O-N 3.41Å; K127-H170 CarbonylContact C-O 3.59Å; K127-H170 WeakPolarHBondContact CA-O 3.4Å; K127-H170 HydrophobicContact CB-CB 4.17Å; K127-H170 WeakPolarHBondContact CB-O 3.49Å; Y128-H170 PolarHBondContact N-O 3.11Å; R168-H170 VanDerWaalsContact CG-NE2 3.34Å; R168-H170 WeakPolarHBondContact CG-NE2 3.48Å; R168-H170 PolarHBondContact NH1-CE1 3.13Å; R168-H170 PolarHBondContact NH1-NE2 3.03Å; R168-H170 PolarHBondContact NH2-CE1 3.43Å; R168-H170 VanDerWaalsContact NH2-CE1 3.33Å; R168-H170 PolarHBondContact O-CD2 3.37Å; H170-W227 HydrophobicContact CB-CZ2 3.81Å; H170-I231 WeakPolarHBondContact CE1-CD1 3.28Å; H170-F233 HydrophobicContact CB-CE1 4.08Å; H170-F233 HydrophobicContact CB-CZ 4.41Å; H170-F233 AromaticContact CD2-CE1 3.64Å; H170-F233 AromaticContact CG-CE1 3.91Å
171	I	98.9	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115	-174.3	-60.2	177.9	0	0	0	109.2	V109 M110 V112 L143 L146 I147 F150 I169 P173	V109-I171 WeakPolarHBondContact CA-O 3.42Å; M110-I171 PolarHBondContact N-O 3.13Å; M110-I171 PolarHBondContact O-N 3.44Å; V112-I171 HydrophobicContact CG2-CD1 4.27Å; L143-I171 HydrophobicContact CB-CG2 3.65Å; L143-I171 HydrophobicContact CD1-CG2 4.16Å; L143-I171 HydrophobicContact CD2-CG2 4.02Å; L143-I171 HydrophobicContact CG-CG2 4.12Å; L146-I171 HydrophobicContact CD2-CD1 4.08Å; L146-I171 HydrophobicContact CG-CD1 4.32Å; I147-I171 HydrophobicContact CD1-CB 4.11Å; I147-I171 HydrophobicContact CD1-CG2 3.8Å; I147-I171 HydrophobicContact CG1-CB 4.17Å; I147-I171 HydrophobicContact CG1-CD1 3.68Å; I147-I171 HydrophobicContact CG1-CG1 4.49Å; I147-I171 HydrophobicContact CG1-CG2 4.06Å; F150-I171 HydrophobicContact CD2-CD1 4.5Å; F150-I171 HydrophobicContact CE2-CD1 4.45Å; I169-I171 HydrophobicContact CG2-CD1 4.13Å; I169-I171 HydrophobicContact CG2-CG1 3.91Å; I171-P173 HydrophobicContact CG2-CG 4.28Å; I171-P173 WeakPolarHBondContact O-CD 3.47Å
172	L	98.9	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	95.6	172	174.9	54.4	0	0	0	108.4	I98 L107 W108 V109 Y128 V129 G130 T174 M175 V224 W227	I98-L172 HydrophobicContact CD1-CD2 3.86Å; L107-L172 HydrophobicContact CB-CD1 4.37Å; W108-L172 VanDerWaalsContact O-CD1 3.24Å; W108-L172 WeakPolarHBondContact O-CD1 3.46Å; V109-L172 HydrophobicContact CG2-CB 4.12Å; V109-L172 HydrophobicContact CG2-CD1 4.15Å; Y128-L172 PolarHBondContact O-N 2.87Å; V129-L172 CarbonylContact C-O 3.56Å; V129-L172 WeakPolarHBondContact CA-O 3.41Å; V129-L172 HydrophobicContact CG1-CD2 4.01Å; V129-L172 HydrophobicContact CG1-CG 4.34Å; V129-L172 HydrophobicContact CG2-CB 4.4Å; V129-L172 HydrophobicContact CG2-CD2 4.3Å; G130-L172 PolarHBondContact N-O 3.29Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 WeakPolarHBondContact CD1-O 3.4Å; L172-T174 PolarHBondContact O-N 3.49Å; L172-M175 HydrophobicContact CD2-CB 4.2Å; L172-V224 HydrophobicContact CD2-CG2 4.07Å; L172-W227 HydrophobicContact CB-CH2 4.13Å; L172-W227 HydrophobicContact CB-CZ3 4.24Å; L172-W227 HydrophobicContact CD2-CE3 4.46Å; L172-W227 HydrophobicContact CD2-CZ3 3.87Å
173	P	98.9	Very high	98.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-71.4	-24.9	-171.4	-16.5	31.1	0	0	0	113.3	L78 L82 W108 G130 R140 L143 L144 I147 I171	L78-P173 HydrophobicContact CD1-CB 4.22Å; L82-P173 HydrophobicContact CD1-CG 4.44Å; W108-P173 VanDerWaalsContact O-CD 3.3Å; W108-P173 WeakPolarHBondContact O-CD 3.02Å; G130-P173 CarbonylContact C-O 3.53Å; R140-P173 VanDerWaalsContact CA-O 3.24Å; R140-P173 WeakPolarHBondContact CA-O 3.43Å; R140-P173 WeakPolarHBondContact CB-O 3.12Å; L143-P173 HydrophobicContact CB-CB 4.2Å; L144-P173 HydrophobicContact CD2-CB 3.63Å; L144-P173 HydrophobicContact CD2-CG 3.54Å; L144-P173 HydrophobicContact CG-CB 4.31Å; I147-P173 HydrophobicContact CD1-CG 4.27Å; I171-P173 HydrophobicContact CG2-CG 4.28Å; I171-P173 WeakPolarHBondContact O-CD 3.47Å
174	T	98.9	Very high	98.5	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	12%	0.121	C	C	.	.			trans	-145.1	113.7	177.9	-176.9	0	0	0	0	111.2	L78 G130 N131 R140 L172 P177	L78-T174 HydrophobicContact CD1-CG2 3.8Å; G130-T174 WeakPolarHBondContact O-CA 3.43Å; N131-T174 WeakPolarHBondContact OD1-CB 3.22Å; N131-T174 PolarHBondContact OD1-OG1 3.33Å; R140-T174 PolarHBondContact NH1-OG1 3.29Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 WeakPolarHBondContact CD1-O 3.4Å; L172-T174 PolarHBondContact O-N 3.49Å; T174-P177 HydrophobicContact CG2-CB 3.98Å; T174-P177 WeakPolarHBondContact OG1-CA 3.47Å
175	M	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-84.4	-24.3	169.8	178.9	-178.9	174.5	0	0	112	L107 V129 G130 I132 L172 P177 L202 F206 E220 V224 M318	L107-M175 WeakPolarHBondContact CD2-O 3.01Å; V129-M175 HydrophobicContact CG1-CB 3.94Å; V129-M175 HydrophobicContact CG1-SD 4.3Å; G130-M175 PolarHBondContact O-N 3.03Å; I132-M175 HydrophobicContact CB-CB 4.19Å; I132-M175 HydrophobicContact CB-CG 4.46Å; I132-M175 HydrophobicContact CB-SD 3.97Å; I132-M175 HydrophobicContact CD1-CE 4.05Å; I132-M175 HydrophobicContact CD1-SD 3.47Å; I132-M175 WeakPolarHBondContact CD1-SD 3.4Å; I132-M175 HydrophobicContact CG1-CE 4.3Å; I132-M175 HydrophobicContact CG1-CG 4.34Å; I132-M175 HydrophobicContact CG1-SD 3.55Å; I132-M175 VanDerWaalsContact CG1-SD 3.55Å; L172-M175 HydrophobicContact CD2-CB 4.2Å; M175-P177 VanDerWaalsContact C-CD 3.41Å; M175-P177 WeakPolarHBondContact O-CD 3.48Å; M175-L202 HydrophobicContact CE-CB 4.36Å; M175-L202 HydrophobicContact CE-CD1 4.33Å; M175-L202 HydrophobicContact CG-CD1 4.43Å; M175-F206 HydrophobicContact CE-CE2 4.07Å; M175-F206 HydrophobicContact CE-CZ 3.87Å; M175-E220 HydrophobicContact CE-CB 4.29Å; M175-E220 HydrophobicContact CG-CB 4.44Å; M175-E220 WeakPolarHBondContact O-CG 3.45Å; M175-V224 HydrophobicContact CE-CB 4.07Å; M175-V224 HydrophobicContact CE-CG2 3.77Å; M175-V224 HydrophobicContact CG-CG2 4.11Å; M175-V224 HydrophobicContact SD-CG2 3.83Å; M175-M318 HydrophobicContact SD-SD 3.91Å
176	N	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.			trans	-122.1	67	178.1	-170.9	4.8	0	0	0	112.4	N131 I132 D178 G179 Y180 R194 Y195 L202	N131-N176 WeakPolarHBondContact O-CB 3.41Å; N131-N176 PolarHBondContact O-N 3.17Å; I132-N176 WeakPolarHBondContact O-CB 3.3Å; I132-N176 PolarHBondContact O-ND2 3.42Å; N176-D178 PolarHBondContact O-N 3.48Å; N176-G179 PolarHBondContact O-N 3.37Å; N176-G179 WeakPolarHBondContact OD1-CA 3.45Å; N176-G179 PolarHBondContact OD1-N 2.87Å; N176-Y180 PolarHBondContact O-N 3.09Å; N176-Y180 VanDerWaalsContact O-N 3.08Å; N176-R194 PolarHBondContact ND2-O 3.49Å; N176-Y195 PolarHBondContact ND2-O 3.34Å; N176-L202 HydrophobicContact CB-CD1 3.88Å
177	P	98.9	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-20	179.8	29.5	-37.3	0	0	0	112.9	R105 L107 T174 M175 A181	R105-P177 HydrophobicContact CB-CB 4.13Å; R105-P177 HydrophobicContact CB-CG 3.79Å; L107-P177 HydrophobicContact CD2-CG 3.97Å; T174-P177 HydrophobicContact CG2-CB 3.98Å; T174-P177 WeakPolarHBondContact OG1-CA 3.47Å; M175-P177 VanDerWaalsContact C-CD 3.41Å; M175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-A181 WeakPolarHBondContact O-CB 3.47Å; P177-A181 PolarHBondContact O-N 3.34Å; P177-A181 VanDerWaalsContact O-N 3.17Å
178	D	98.9	Very high	98.3	Very high	2 Å²	2	28 Å²	28	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-77	-45.2	177.6	-68.5	5.2	0	0	0	112	S101 I102 Q103 R105 N176 Y180 A181 A197	S101-D178 VanDerWaalsContact CB-CG 3.45Å; S101-D178 VanDerWaalsContact CB-OD1 3.25Å; S101-D178 WeakPolarHBondContact CB-OD1 3.18Å; S101-D178 WeakPolarHBondContact CB-OD2 3.38Å; S101-D178 PolarHBondContact OG-OD1 3.35Å; S101-D178 PolarHBondContact OG-OD2 2.87Å; S101-D178 VanDerWaalsContact OG-OD2 3.11Å; I102-D178 PolarHBondContact N-OD2 3.47Å; Q103-D178 WeakPolarHBondContact CB-OD2 3.32Å; Q103-D178 WeakPolarHBondContact CG-OD2 3.16Å; Q103-D178 PolarHBondContact N-OD2 2.87Å; R105-D178 WeakPolarHBondContact CD-OD1 3.27Å; R105-D178 IonicContact CZ-OD1 1.84Å; R105-D178 IonicContact NH1-OD1 3.76Å; R105-D178 PolarHBondContact NH1-OD1 2.69Å; N176-D178 PolarHBondContact O-N 3.48Å; D178-Y180 VanDerWaalsContact C-N 3.3Å; D178-A181 PolarHBondContact O-N 3.27Å; D178-A197 HydrophobicContact CB-CB 3.97Å
179	G	98.8	Very high	97.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-40.5	171.7	0	0	0	0	0	111.5	N176 A181 V182 S183 G193	N176-G179 PolarHBondContact O-N 3.37Å; N176-G179 WeakPolarHBondContact OD1-CA 3.45Å; N176-G179 PolarHBondContact OD1-N 2.87Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 2.95Å; G179-V182 CarbonylContact O-C 3.57Å; G179-V182 WeakPolarHBondContact O-CG2 3.43Å; G179-V182 PolarHBondContact O-N 3.48Å; G179-S183 PolarHBondContact O-N 2.73Å; G179-S183 PolarHBondContact O-OG 2.83Å; G179-G193 CarbonylContact C-O 3.51Å; G179-G193 WeakPolarHBondContact CA-O 3.32Å; G179-G193 WeakPolarHBondContact O-CA 3.44Å
180	Y	98.8	Very high	97.2	Very high	23 Å²	23	34 Å²	34	9%	0.09	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-46.2	175.4	174.7	-87.8	0	0	0	111.6	H73 G134 P137 R140 N176 D178 V182 S183	H73-Y180 PolarHBondContact O-OH 2.93Å; G134-Y180 VanDerWaalsContact CA-N 3.32Å; G134-Y180 WeakPolarHBondContact O-CA 3.16Å; P137-Y180 HydrophobicContact CB-CD2 3.92Å; P137-Y180 HydrophobicContact CB-CE2 3.65Å; R140-Y180 VanDerWaalsContact CD-CE2 3.4Å; R140-Y180 VanDerWaalsContact NH1-CG 3.28Å; N176-Y180 PolarHBondContact O-N 3.09Å; N176-Y180 VanDerWaalsContact O-N 3.08Å; D178-Y180 VanDerWaalsContact C-N 3.3Å; Y180-V182 PolarHBondContact O-N 2.58Å; Y180-S183 VanDerWaalsContact O-CB 3.31Å; Y180-S183 WeakPolarHBondContact O-CB 3.46Å; Y180-S183 PolarHBondContact O-N 2.88Å
181	A	98.6	Very high	96.6	Very high	52 Å²	52	36.4 Å²	36.4	43%	0.43	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.3	-178.7	0	0	0	0	0	115.1	P177 D178 G179	P177-A181 WeakPolarHBondContact O-CB 3.47Å; P177-A181 PolarHBondContact O-N 3.34Å; P177-A181 VanDerWaalsContact O-N 3.17Å; D178-A181 PolarHBondContact O-N 3.27Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 2.95Å
182	V	98.4	Very high	96.3	Very high	78 Å²	78	43.8 Å²	43.8	47%	0.473	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	13.7	172.6	-55.9	0	0	0	0	112.9	G179 Y180 Q192	G179-V182 CarbonylContact O-C 3.57Å; G179-V182 WeakPolarHBondContact O-CG2 3.43Å; G179-V182 PolarHBondContact O-N 3.48Å; Y180-V182 PolarHBondContact O-N 2.58Å; V182-Q192 WeakPolarHBondContact O-CB 3.29Å
183	S	98.1	Very high	96.2	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	27%	0.271	C	S	.	.			trans	-89.1	162.8	173.2	-61	0	0	0	0	110.6	G134 N135 G179 Y180 G193	G134-S183 PolarHBondContact O-OG 3.24Å; N135-S183 WeakPolarHBondContact CA-OG 3.4Å; N135-S183 WeakPolarHBondContact CB-OG 3.2Å; N135-S183 PolarHBondContact N-OG 2.84Å; N135-S183 VanDerWaalsContact N-OG 3.1Å; G179-S183 PolarHBondContact O-N 2.73Å; G179-S183 PolarHBondContact O-OG 2.83Å; Y180-S183 VanDerWaalsContact O-CB 3.31Å; Y180-S183 WeakPolarHBondContact O-CB 3.46Å; Y180-S183 PolarHBondContact O-N 2.88Å; S183-G193 WeakPolarHBondContact OG-CA 3.43Å
184	K	97.6	Very high	96.2	Very high	159 Å²	159	46.2 Å²	46.2	69%	0.691	28%	0.278	S	S	*	.			trans	-135.7	132.6	-176.5	-174.5	-179.4	176.1	-178.9	0	113.1	T187 F340	K184-T187 WeakPolarHBondContact O-CB 3.46Å; K184-T187 PolarHBondContact O-N 3.02Å; K184-T187 PolarHBondContact O-OG1 3.4Å; K184-F340 VanDerWaalsContact C-CD1 3.46Å; K184-F340 WeakPolarHBondContact O-CD1 3.49Å; K184-F340 WeakPolarHBondContact O-CG 3.46Å
185	E	97.8	Very high	96.2	Very high	95 Å²	95	51.8 Å²	51.8	44%	0.444	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	143.9	174.5	-166.7	-180	160.6	0	0	113.4	Y72 T187 F340 P342 A343	Y72-E185 HydrophobicContact CD2-CG 4.38Å; Y72-E185 HydrophobicContact CE2-CG 4.11Å; E185-T187 PolarHBondContact O-N 2.91Å; E185-F340 VanDerWaalsContact CA-CD2 3.49Å; E185-F340 HydrophobicContact CB-CD2 4.11Å; E185-F340 HydrophobicContact CB-CE2 3.73Å; E185-F340 HydrophobicContact CB-CZ 4.25Å; E185-F340 HydrophobicContact CG-CD2 4.23Å; E185-F340 HydrophobicContact CG-CE2 4.02Å; E185-P342 VanDerWaalsContact OE1-CA 3.27Å; E185-P342 WeakPolarHBondContact OE1-CA 3.46Å; E185-A343 PolarHBondContact OE1-N 3.29Å
186	G	96.3	Very high	96.2	Very high	44 Å²	44	52 Å²	52	45%	0.454	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-3.3	-174.7	0	0	0	0	0	114.2	C188 F340	G186-C188 PolarHBondContact O-N 3.21Å; G186-F340 CarbonylContact C-O 3.5Å; G186-F340 VanDerWaalsContact CA-O 3.32Å; G186-F340 WeakPolarHBondContact CA-O 3.47Å; G186-F340 PolarHBondContact N-O 3.32Å
187	T	96.8	Very high	96.2	Very high	41 Å²	41	54.2 Å²	54.2	25%	0.252	32%	0.319	S	S	.	.			trans	-82.5	81	178.9	-46.4	0	0	0	0	110.5	K184 E185 D189 F340	K184-T187 WeakPolarHBondContact O-CB 3.46Å; K184-T187 PolarHBondContact O-N 3.02Å; K184-T187 PolarHBondContact O-OG1 3.4Å; E185-T187 PolarHBondContact O-N 2.91Å; T187-D189 VanDerWaalsContact C-N 3.31Å; T187-D189 PolarHBondContact O-N 2.98Å; T187-F340 PolarHBondContact N-O 3.07Å; T187-F340 PolarHBondContact O-N 3.08Å
188	C	94.8	Very high	96.1	Very high	47 Å²	47	59.9 Å²	59.9	32%	0.318	34%	0.341	S	S	.	.			trans	-66.8	-30.3	178.2	-65	0	0	0	0	114.1	G186 C338 K339	G186-C188 PolarHBondContact O-N 3.21Å; C188-C338 WeakPolarHBondContact CA-SG 3.44Å; C188-C338 HydrophobicContact CB-CB 3.73Å; C188-C338 WeakPolarHBondContact CB-SG 3.16Å; C188-C338 WeakPolarHBondContact SG-CB 3.38Å; C188-C338 CovalentContact SG-SG 2.03Å; C188-C338 PolarHBondContact SG-SG 2.95Å; C188-K339 WeakPolarHBondContact O-CG 3.42Å; C188-K339 PolarHBondContact O-N 3.15Å; C188-K339 VanDerWaalsContact O-N 3.13Å
189	D	90.9	Very high	96.1	Very high	107 Å²	107	62.3 Å²	62.3	57%	0.572	37%	0.366	S	S	*	.	S	Bend	trans	-122.3	117	-171.5	-77.9	-70.7	0	0	0	112.1	T187 G191 K295	T187-D189 VanDerWaalsContact C-N 3.31Å; T187-D189 PolarHBondContact O-N 2.98Å; D189-G191 PolarHBondContact O-N 3.32Å; D189-K295 IonicContact OD1-NZ 3.74Å; D189-K295 PolarHBondContact OD1-NZ 2.98Å; D189-K295 IonicContact OD2-NZ 2.83Å; D189-K295 PolarHBondContact OD2-NZ 2.97Å
190	G	84.1	Confident	96.1	Very high	40 Å²	40	65 Å²	65	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	59.4	-125	177.6	0	0	0	0	0	112.5	N135	N135-G190 PolarHBondContact ND2-O 3.17Å
191	G	85.8	Confident	96	Very high	53 Å²	53	65 Å²	65	55%	0.546	38%	0.379	S	S	.	.			trans	89.6	178.6	-178.6	0	0	0	0	0	115	D189	D189-G191 PolarHBondContact O-N 3.32Å
192	Q	93.5	Very high	96	Very high	155 Å²	155	62.6 Å²	62.6	72%	0.724	36%	0.359	S	S	*	.	S	Bend	trans	-74.9	162.1	171.5	-67.6	-173.6	-8	0	0	110.7	N135 V182	N135-Q192 WeakPolarHBondContact CB-O 3.35Å; V182-Q192 WeakPolarHBondContact O-CB 3.29Å
193	G	97.2	Very high	96.1	Very high	10 Å²	10	59 Å²	59	10%	0.103	34%	0.337	C	S	.	.			trans	88.2	-1.2	172.4	0	0	0	0	0	117.4	G134 N135 G179 S183	G134-G193 CarbonylContact C-O 3.48Å; G134-G193 WeakPolarHBondContact CA-O 3.23Å; G134-G193 PolarHBondContact N-O 2.98Å; N135-G193 PolarHBondContact N-O 3.22Å; G179-G193 CarbonylContact C-O 3.51Å; G179-G193 WeakPolarHBondContact CA-O 3.32Å; G179-G193 WeakPolarHBondContact O-CA 3.44Å; S183-G193 WeakPolarHBondContact OG-CA 3.43Å
194	R	98.5	Very high	96.1	Very high	41 Å²	41	60.3 Å²	60.3	16%	0.155	34%	0.339	C	S	.	.	S	Bend	trans	-58.1	-50	169.8	-178.9	-178	171.1	72.5	8.7	112.5	H133 N135 E136 N176 D201	H133-R194 WeakPolarHBondContact CA-O 3.5Å; H133-R194 HydrophobicContact CB-CG 4.02Å; H133-R194 PolarHBondContact CE1-NH1 2.88Å; H133-R194 VanDerWaalsContact CE1-NH1 3.34Å; H133-R194 PolarHBondContact ND1-NH1 3.29Å; H133-R194 PolarHBondContact NE2-NH2 3.31Å; N135-R194 WeakPolarHBondContact OD1-CA 3.43Å; N135-R194 WeakPolarHBondContact OD1-CB 3.45Å; E136-R194 IonicContact OE1-NH1 3.8Å; E136-R194 PolarHBondContact OE1-NH1 2.66Å; N176-R194 PolarHBondContact ND2-O 3.49Å; R194-D201 IonicContact CZ-OD2 3.71Å; R194-D201 VanDerWaalsContact CZ-OD2 3.25Å; R194-D201 IonicContact NE-OD2 2.8Å; R194-D201 PolarHBondContact NE-OD2 3.26Å; R194-D201 IonicContact NH2-OD1 3.93Å; R194-D201 IonicContact NH2-OD2 2.88Å; R194-D201 PolarHBondContact NH2-OD2 2.87Å
195	Y	98.6	Very high	96.1	Very high	118 Å²	118	53 Å²	53	46%	0.463	31%	0.308	S	S	.	.	S	Bend	trans	-80.5	165.3	-175.7	-52	-63.7	0	0	0	111.6	N176 F200 D201	N176-Y195 PolarHBondContact ND2-O 3.34Å; Y195-F200 WeakPolarHBondContact CA-O 3.43Å; Y195-F200 WeakPolarHBondContact CB-O 3.32Å; Y195-D201 HydrophobicContact CD1-CB 3.83Å; Y195-D201 HydrophobicContact CE1-CB 3.89Å
196	N	98.6	Very high	96.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.027	29%	0.287	C	S	.	.			trans	-71.3	174.3	167	83.6	-16	0	0	0	110.9	R198 G199 F200 L202 Q218 E220	N196-R198 PolarHBondContact O-N 3.16Å; N196-R198 PolarHBondContact OD1-N 2.79Å; N196-G199 PolarHBondContact O-N 2.8Å; N196-G199 PolarHBondContact OD1-N 3.34Å; N196-F200 PolarHBondContact N-O 2.84Å; N196-F200 PolarHBondContact OD1-N 3.11Å; N196-F200 VanDerWaalsContact OD1-N 3.1Å; N196-L202 HydrophobicContact CB-CD1 4.27Å; N196-L202 HydrophobicContact CB-CD2 4.02Å; N196-L202 HydrophobicContact CB-CG 4.18Å; N196-Q218 WeakPolarHBondContact ND2-CB 3.14Å; N196-Q218 WeakPolarHBondContact ND2-CG 3.41Å; N196-Q218 PolarHBondContact ND2-OE1 2.97Å; N196-E220 PolarHBondContact ND2-OE2 2.53Å
197	A	98.4	Very high	96.2	Very high	47 Å²	47	48.7 Å²	48.7	39%	0.388	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	0.8	-179	0	0	0	0	0	115.6	I102 Q103 D178	I102-A197 HydrophobicContact CB-CB 4Å; I102-A197 HydrophobicContact CG2-CB 3.77Å; Q103-A197 HydrophobicContact CG-CB 4.01Å; D178-A197 HydrophobicContact CB-CB 3.97Å
198	R	98.1	Very high	96.2	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4.8	166.1	-75.4	-173.3	-179.3	141	7.2	113.7	I102 N196 F200	I102-R198 HydrophobicContact CD1-CG 3.75Å; I102-R198 HydrophobicContact CG1-CG 4.05Å; I102-R198 HydrophobicContact CG2-CG 4.23Å; N196-R198 PolarHBondContact O-N 3.16Å; N196-R198 PolarHBondContact OD1-N 2.79Å; R198-F200 HydrophobicContact CB-CD2 3.8Å; R198-F200 HydrophobicContact CB-CE2 4.19Å; R198-F200 WeakPolarHBondContact O-CD2 3.5Å
199	G	97.9	Very high	96.1	Very high	52 Å²	52	50.8 Å²	50.8	54%	0.536	28%	0.278	S	S	.	.	S	Bend	trans	78.4	16.4	-179.1	0	0	0	0	0	114.6	N196	N196-G199 PolarHBondContact O-N 2.8Å; N196-G199 PolarHBondContact OD1-N 3.34Å
200	F	98.4	Very high	96.2	Very high	59 Å²	59	48 Å²	48	26%	0.259	26%	0.261	S	S	.	.			trans	-91.8	138.2	177.3	-75	-104.3	0	0	0	111.4	Y195 N196 R198 L202 R216 Q218	Y195-F200 WeakPolarHBondContact CA-O 3.43Å; Y195-F200 WeakPolarHBondContact CB-O 3.32Å; N196-F200 PolarHBondContact N-O 2.84Å; N196-F200 PolarHBondContact OD1-N 3.11Å; N196-F200 VanDerWaalsContact OD1-N 3.1Å; R198-F200 HydrophobicContact CB-CD2 3.8Å; R198-F200 HydrophobicContact CB-CE2 4.19Å; R198-F200 WeakPolarHBondContact O-CD2 3.5Å; F200-L202 PolarHBondContact O-N 2.9Å; F200-R216 HydrophobicContact CE1-CB 4.26Å; F200-R216 HydrophobicContact CZ-CB 4.24Å; F200-Q218 HydrophobicContact CB-CG 3.67Å; F200-Q218 HydrophobicContact CD1-CG 4.32Å; F200-Q218 HydrophobicContact CD2-CG 4.38Å; F200-Q218 VanDerWaalsContact CD2-NE2 3.31Å; F200-Q218 VanDerWaalsContact CG-CD 3.49Å; F200-Q218 HydrophobicContact CG-CG 3.88Å; F200-Q218 VanDerWaalsContact CG-NE2 3.3Å
201	D	98.5	Very high	96.4	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.123	25%	0.252	C	S	.	.			trans	-79	109.8	167.3	-165.2	-50.4	0	0	0	108.8	H133 R194 Y195 N203 R204 N205	H133-D201 IonicContact CD2-OD1 3.54Å; R194-D201 IonicContact CZ-OD2 3.71Å; R194-D201 VanDerWaalsContact CZ-OD2 3.25Å; R194-D201 IonicContact NE-OD2 2.8Å; R194-D201 PolarHBondContact NE-OD2 3.26Å; R194-D201 IonicContact NH2-OD1 3.93Å; R194-D201 IonicContact NH2-OD2 2.88Å; R194-D201 PolarHBondContact NH2-OD2 2.87Å; Y195-D201 HydrophobicContact CD1-CB 3.83Å; Y195-D201 HydrophobicContact CE1-CB 3.89Å; D201-N203 VanDerWaalsContact C-N 3.33Å; D201-N203 PolarHBondContact OD1-N 3.36Å; D201-N203 VanDerWaalsContact OD1-N 3.13Å; D201-R204 HydrophobicContact CB-CB 4.08Å; D201-R204 HydrophobicContact CB-CG 3.87Å; D201-R204 CarbonylContact O-C 3.47Å; D201-R204 PolarHBondContact O-N 2.73Å; D201-R204 PolarHBondContact OD1-N 3.27Å; D201-N205 PolarHBondContact O-N 2.89Å
202	L	98.8	Very high	96.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.3	-36	-176.5	-62.5	-179.6	0	0	0	111.4	I132 M175 N176 N196 F200 R204 N205 F206 Q218 E220	I132-L202 HydrophobicContact CD1-CB 4.04Å; I132-L202 HydrophobicContact CG1-CB 3.62Å; I132-L202 HydrophobicContact CG1-CD1 4.37Å; M175-L202 HydrophobicContact CE-CB 4.36Å; M175-L202 HydrophobicContact CE-CD1 4.33Å; M175-L202 HydrophobicContact CG-CD1 4.43Å; N176-L202 HydrophobicContact CB-CD1 3.88Å; N196-L202 HydrophobicContact CB-CD1 4.27Å; N196-L202 HydrophobicContact CB-CD2 4.02Å; N196-L202 HydrophobicContact CB-CG 4.18Å; F200-L202 PolarHBondContact O-N 2.9Å; L202-R204 PolarHBondContact O-N 3.14Å; L202-R204 VanDerWaalsContact O-N 3.08Å; L202-N205 WeakPolarHBondContact O-CB 3.29Å; L202-N205 PolarHBondContact O-N 2.88Å; L202-N205 VanDerWaalsContact O-N 3.11Å; L202-F206 WeakPolarHBondContact O-CD2 3.35Å; L202-Q218 HydrophobicContact CD2-CB 3.79Å; L202-Q218 HydrophobicContact CD2-CG 4Å; L202-E220 HydrophobicContact CD1-CB 3.63Å; L202-E220 HydrophobicContact CD1-CG 3.99Å; L202-E220 HydrophobicContact CD2-CB 4.03Å; L202-E220 HydrophobicContact CG-CB 4.49Å
203	N	98.6	Very high	96.6	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-80.7	25.1	171.6	-155.7	17.9	0	0	0	112.5	I132 D201 L314 G317 M318	I132-N203 HydrophobicContact CD1-CB 3.88Å; I132-N203 HydrophobicContact CG1-CB 4.46Å; D201-N203 VanDerWaalsContact C-N 3.33Å; D201-N203 PolarHBondContact OD1-N 3.36Å; D201-N203 VanDerWaalsContact OD1-N 3.13Å; N203-L314 WeakPolarHBondContact O-CD2 3.25Å; N203-G317 WeakPolarHBondContact OD1-CA 3.49Å; N203-M318 PolarHBondContact OD1-N 3.38Å
204	R	98.1	Very high	96.3	Very high	48 Å²	48	53.2 Å²	53.2	18%	0.181	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-138.9	17.5	163.1	-50.6	-74.4	-175.1	-77.4	0.7	111.4	D201 L202 N213 K215 L314 T315 G316	D201-R204 HydrophobicContact CB-CB 4.08Å; D201-R204 HydrophobicContact CB-CG 3.87Å; D201-R204 CarbonylContact O-C 3.47Å; D201-R204 PolarHBondContact O-N 2.73Å; D201-R204 PolarHBondContact OD1-N 3.27Å; L202-R204 PolarHBondContact O-N 3.14Å; L202-R204 VanDerWaalsContact O-N 3.08Å; R204-N213 PolarHBondContact O-ND2 2.87Å; R204-K215 WeakPolarHBondContact O-CD 3.42Å; R204-K215 PolarHBondContact O-NZ 3.35Å; R204-L314 VanDerWaalsContact CZ-CG 3.48Å; R204-T315 WeakPolarHBondContact CD-O 3.41Å; R204-G316 CarbonylContact C-O 3.35Å; R204-G316 WeakPolarHBondContact CA-O 3.22Å
205	N	98.4	Very high	96.1	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.037	28%	0.275	C	S	.	.			trans	-111.4	-7.9	-172.6	-162.6	-114.2	0	0	0	114.3	D201 L202 R216 G217 Q218 T221 G316	D201-N205 PolarHBondContact O-N 2.89Å; L202-N205 WeakPolarHBondContact O-CB 3.29Å; L202-N205 PolarHBondContact O-N 2.88Å; L202-N205 VanDerWaalsContact O-N 3.11Å; N205-R216 PolarHBondContact ND2-O 2.83Å; N205-G217 WeakPolarHBondContact OD1-CA 3.4Å; N205-Q218 PolarHBondContact OD1-N 2.91Å; N205-Q218 VanDerWaalsContact OD1-N 3.09Å; N205-T221 HydrophobicContact CB-CG2 4.18Å; N205-T221 WeakPolarHBondContact OD1-CB 3.46Å; N205-T221 PolarHBondContact OD1-OG1 2.86Å; N205-G316 PolarHBondContact N-O 2.83Å; N205-G316 VanDerWaalsContact N-O 3.13Å
206	F	98.6	Very high	96.1	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	28%	0.283	C	S	.	.	S	Bend	trans	-77	157.7	176	-70.4	-96.2	0	0	0	111.4	I132 M175 L202 N213 T221 V224 K225 G316 M318 Y321	I132-F206 HydrophobicContact CD1-CE2 4.34Å; M175-F206 HydrophobicContact CE-CE2 4.07Å; M175-F206 HydrophobicContact CE-CZ 3.87Å; L202-F206 WeakPolarHBondContact O-CD2 3.35Å; F206-N213 PolarHBondContact O-ND2 3.21Å; F206-T221 HydrophobicContact CD1-CG2 3.94Å; F206-T221 HydrophobicContact CD2-CG2 3.96Å; F206-T221 HydrophobicContact CE1-CG2 3.89Å; F206-T221 HydrophobicContact CE2-CG2 3.89Å; F206-T221 HydrophobicContact CG-CG2 3.98Å; F206-T221 HydrophobicContact CZ-CG2 3.87Å; F206-V224 HydrophobicContact CE1-CG1 4.1Å; F206-V224 HydrophobicContact CZ-CB 4.29Å; F206-V224 HydrophobicContact CZ-CG1 3.93Å; F206-K225 HydrophobicContact CD1-CD 4.19Å; F206-K225 HydrophobicContact CD1-CG 3.83Å; F206-K225 HydrophobicContact CE1-CG 3.77Å; F206-G316 PolarHBondContact N-O 2.85Å; F206-G316 VanDerWaalsContact O-CA 3.26Å; F206-G316 WeakPolarHBondContact O-CA 3.42Å; F206-M318 HydrophobicContact CD2-CB 3.84Å; F206-M318 HydrophobicContact CD2-CG 4.35Å; F206-M318 HydrophobicContact CE1-CB 4.48Å; F206-M318 HydrophobicContact CE1-CG 3.97Å; F206-M318 HydrophobicContact CE2-CB 3.51Å; F206-M318 HydrophobicContact CE2-CG 3.7Å; F206-M318 HydrophobicContact CE2-SD 4.13Å; F206-M318 HydrophobicContact CG-CB 4.46Å; F206-M318 HydrophobicContact CZ-CB 3.87Å; F206-M318 HydrophobicContact CZ-CG 3.47Å; F206-M318 VanDerWaalsContact CZ-CG 3.47Å; F206-M318 HydrophobicContact CZ-SD 3.79Å; F206-Y321 HydrophobicContact CB-CG 4.17Å; F206-Y321 AromaticContact CD1-CD1 3.52Å; F206-Y321 HydrophobicContact CD1-CD1 3.52Å; F206-Y321 HydrophobicContact CD1-CD2 4.44Å; F206-Y321 HydrophobicContact CD1-CE1 4.08Å; F206-Y321 AromaticContact CD1-CG 3.72Å; F206-Y321 HydrophobicContact CD1-CG 3.72Å; F206-Y321 AromaticContact CE1-CD1 3.99Å; F206-Y321 HydrophobicContact CE1-CD1 3.99Å; F206-Y321 HydrophobicContact CE1-CE1 4.4Å; F206-Y321 HydrophobicContact CG-CG 4.33Å
207	P	97.8	Very high	96	Very high	46 Å²	46	59.5 Å²	59.5	30%	0.299	30%	0.295	S	S	.	.			trans	-50.7	143.9	163.2	-25.8	36	0	0	0	111.1	Y321 W325	P207-Y321 HydrophobicContact CB-CD2 4.05Å; P207-Y321 HydrophobicContact CB-CE2 4.17Å; P207-Y321 HydrophobicContact CG-CD2 4Å; P207-Y321 HydrophobicContact CG-CE2 3.76Å; P207-W325 HydrophobicContact CB-CH2 3.72Å; P207-W325 HydrophobicContact CB-CZ2 3.55Å; P207-W325 HydrophobicContact CB-CZ3 4.46Å
208	D	96.4	Very high	96	Very high	16 Å²	16	57.3 Å²	57.3	9%	0.086	28%	0.277	C	S	.	.			trans	-118.9	139	-178	179	-75.4	0	0	0	109.6	F210 K211 N213 N252 T315 G316	D208-F210 PolarHBondContact OD1-N 2.98Å; D208-K211 WeakPolarHBondContact CB-O 2.9Å; D208-K211 PolarHBondContact OD1-N 3Å; D208-N213 HydrophobicContact CB-CB 4.24Å; D208-N252 VanDerWaalsContact CG-ND2 3.29Å; D208-N252 PolarHBondContact OD1-ND2 3.41Å; D208-N252 VanDerWaalsContact OD1-ND2 3.11Å; D208-N252 PolarHBondContact OD2-ND2 2.98Å; D208-T315 HydrophobicContact CB-CG2 4.01Å; D208-T315 VanDerWaalsContact OD2-CA 3.25Å; D208-T315 WeakPolarHBondContact OD2-CA 3.38Å; D208-T315 WeakPolarHBondContact OD2-CG2 3.45Å; D208-G316 PolarHBondContact OD2-N 3.27Å
209	Y	93.8	Very high	96.1	Very high	117 Å²	117	53.5 Å²	53.5	46%	0.459	27%	0.268	S	S	.	.	S	Bend	trans	-74.1	-29.1	-172.2	177.7	-129.2	0	0	0	113.2	Y250 V324	Y209-Y250 HydrophobicContact CD1-CE1 4.14Å; Y209-V324 HydrophobicContact CD1-CG2 4.2Å; Y209-V324 HydrophobicContact CD2-CG1 3.51Å; Y209-V324 HydrophobicContact CD2-CG2 4.4Å; Y209-V324 HydrophobicContact CE2-CG1 4.09Å; Y209-V324 HydrophobicContact CG-CG1 3.88Å; Y209-V324 HydrophobicContact CG-CG2 3.98Å
210	F	92	Very high	96.1	Very high	49 Å²	49	51 Å²	51	22%	0.215	24%	0.242	C	C	.	.	S	Bend	trans	-99.3	-26.7	-173.4	-59.6	-76.5	0	0	0	112.9	D208 Y250 N252 P254	D208-F210 PolarHBondContact OD1-N 2.98Å; F210-Y250 HydrophobicContact CE2-CD1 4.04Å; F210-Y250 HydrophobicContact CE2-CD2 4.25Å; F210-Y250 AromaticContact CE2-CG 3.83Å; F210-Y250 HydrophobicContact CE2-CG 3.83Å; F210-Y250 HydrophobicContact CZ-CD1 4.17Å; F210-Y250 AromaticContact CZ-CD2 3.66Å; F210-Y250 HydrophobicContact CZ-CD2 3.66Å; F210-Y250 HydrophobicContact CZ-CE2 4.02Å; F210-Y250 AromaticContact CZ-CG 3.73Å; F210-Y250 HydrophobicContact CZ-CG 3.73Å; F210-N252 HydrophobicContact CD2-CB 3.87Å; F210-N252 HydrophobicContact CE2-CB 4.38Å; F210-N252 WeakPolarHBondContact CE2-O 3.5Å; F210-P254 HydrophobicContact CD1-CB 4.12Å; F210-P254 HydrophobicContact CD1-CG 3.61Å; F210-P254 HydrophobicContact CE1-CG 3.69Å
211	K	88.7	Confident	96.1	Very high	52 Å²	52	48.2 Å²	48.2	23%	0.226	23%	0.23	C	C	.	.	S	Bend	trans	-140.6	146.2	-174.2	-70.1	-178.7	169.5	179.4	0	111.7	D208 N213 S256 T315	D208-K211 WeakPolarHBondContact CB-O 2.9Å; D208-K211 PolarHBondContact OD1-N 3Å; K211-N213 PolarHBondContact O-N 3.37Å; K211-S256 WeakPolarHBondContact CE-OG 3.3Å; K211-S256 PolarHBondContact NZ-O 2.84Å; K211-S256 PolarHBondContact NZ-OG 3.42Å; K211-T315 HydrophobicContact CB-CG2 4.48Å
212	Q	89.8	Confident	96.1	Very high	159 Å²	159	50.3 Å²	50.3	74%	0.743	24%	0.241	S	C	*	.			trans	-70.5	104.5	175.2	-164.6	-170.9	19	0	0	111.1	N214	Q212-N214 VanDerWaalsContact CG-OD1 3.31Å; Q212-N214 WeakPolarHBondContact CG-OD1 3.24Å; Q212-N214 PolarHBondContact NE2-OD1 3.08Å; Q212-N214 PolarHBondContact O-N 3.17Å; Q212-N214 PolarHBondContact OE1-ND2 3.32Å; Q212-N214 PolarHBondContact OE1-OD1 3.01Å
213	N	92.8	Very high	96.1	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	25%	0.247	C	C	.	.			trans	-78.4	85.8	175.7	-169.8	10.9	0	0	0	111.4	R204 F206 D208 K211 K215	R204-N213 PolarHBondContact O-ND2 2.87Å; F206-N213 PolarHBondContact O-ND2 3.21Å; D208-N213 HydrophobicContact CB-CB 4.24Å; K211-N213 PolarHBondContact O-N 3.37Å; N213-K215 PolarHBondContact O-N 3.02Å; N213-K215 WeakPolarHBondContact OD1-CG 3.36Å
214	N	92.5	Very high	96.2	Very high	124 Å²	124	51 Å²	51	66%	0.663	25%	0.246	S	C	*	.			trans	-75.9	24.2	-177.2	-71.5	-42.4	0	0	0	115	Q212	Q212-N214 VanDerWaalsContact CG-OD1 3.31Å; Q212-N214 WeakPolarHBondContact CG-OD1 3.24Å; Q212-N214 PolarHBondContact NE2-OD1 3.08Å; Q212-N214 PolarHBondContact O-N 3.17Å; Q212-N214 PolarHBondContact OE1-ND2 3.32Å; Q212-N214 PolarHBondContact OE1-OD1 3.01Å
215	K	94.4	Very high	96.2	Very high	98 Å²	98	50.8 Å²	50.8	43%	0.426	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-78.2	146.4	175.9	-70	178.1	-160.9	165.4	0	111.2	R204 N213 G217	R204-K215 WeakPolarHBondContact O-CD 3.42Å; R204-K215 PolarHBondContact O-NZ 3.35Å; N213-K215 PolarHBondContact O-N 3.02Å; N213-K215 WeakPolarHBondContact OD1-CG 3.36Å; K215-G217 PolarHBondContact O-N 2.91Å
216	R	96.9	Very high	96.2	Very high	172 Å²	172	53.6 Å²	53.6	65%	0.649	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-60.8	126.7	171.8	-175.7	-179	179.5	170.3	4.5	110.4	F200 N205 Q218	F200-R216 HydrophobicContact CE1-CB 4.26Å; F200-R216 HydrophobicContact CZ-CB 4.24Å; N205-R216 PolarHBondContact ND2-O 2.83Å; R216-Q218 PolarHBondContact O-NE2 3.04Å
217	G	97.4	Very high	96.2	Very high	27 Å²	27	53.9 Å²	53.9	28%	0.278	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-56.7	142.3	171.9	0	0	0	0	0	112.4	N205 K215	N205-G217 WeakPolarHBondContact OD1-CA 3.4Å; K215-G217 PolarHBondContact O-N 2.91Å
218	Q	98.8	Very high	96.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.			trans	-110.1	145.7	175.9	-56.4	-55.3	-58	0	0	110.2	N196 F200 L202 N205 R216 E220 T221 D222	N196-Q218 WeakPolarHBondContact ND2-CB 3.14Å; N196-Q218 WeakPolarHBondContact ND2-CG 3.41Å; N196-Q218 PolarHBondContact ND2-OE1 2.97Å; F200-Q218 HydrophobicContact CB-CG 3.67Å; F200-Q218 HydrophobicContact CD1-CG 4.32Å; F200-Q218 HydrophobicContact CD2-CG 4.38Å; F200-Q218 VanDerWaalsContact CD2-NE2 3.31Å; F200-Q218 VanDerWaalsContact CG-CD 3.49Å; F200-Q218 HydrophobicContact CG-CG 3.88Å; F200-Q218 VanDerWaalsContact CG-NE2 3.3Å; L202-Q218 HydrophobicContact CD2-CB 3.79Å; L202-Q218 HydrophobicContact CD2-CG 4Å; N205-Q218 PolarHBondContact OD1-N 2.91Å; N205-Q218 VanDerWaalsContact OD1-N 3.09Å; R216-Q218 PolarHBondContact O-NE2 3.04Å; Q218-E220 WeakPolarHBondContact CB-OE2 3.46Å; Q218-E220 PolarHBondContact O-N 3.22Å; Q218-E220 VanDerWaalsContact O-N 3.09Å; Q218-T221 CarbonylContact O-C 3.5Å; Q218-T221 PolarHBondContact O-N 3.26Å; Q218-D222 WeakPolarHBondContact O-CB 3.46Å; Q218-D222 VanDerWaalsContact O-CG 3.31Å; Q218-D222 PolarHBondContact O-N 3.17Å
219	P	98.8	Very high	96.2	Very high	40 Å²	40	54 Å²	54	26%	0.26	27%	0.265	S	S	.	.	H	α-helix	trans	-54.2	-33.5	-178.8	-29.1	39	0	0	0	114.1	K100 I102 S223	K100-P219 WeakPolarHBondContact O-CB 3.33Å; I102-P219 HydrophobicContact CD1-CG 3.84Å; P219-S223 VanDerWaalsContact O-CB 3.26Å; P219-S223 WeakPolarHBondContact O-CB 3.31Å; P219-S223 PolarHBondContact O-N 2.98Å; P219-S223 PolarHBondContact O-OG 2.82Å
220	E	98.9	Very high	96.2	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-50.2	175.4	-57.4	81.4	-173.6	0	0	111.6	S101 I102 L107 M175 N196 L202 Q218 V224	S101-E220 VanDerWaalsContact CA-OE1 3.25Å; S101-E220 WeakPolarHBondContact CA-OE1 3.47Å; S101-E220 WeakPolarHBondContact CB-OE1 3.46Å; I102-E220 WeakPolarHBondContact CG1-OE1 3.38Å; I102-E220 PolarHBondContact N-OE1 3.38Å; L107-E220 HydrophobicContact CD1-CB 4.42Å; M175-E220 HydrophobicContact CE-CB 4.29Å; M175-E220 HydrophobicContact CG-CB 4.44Å; M175-E220 WeakPolarHBondContact O-CG 3.45Å; N196-E220 PolarHBondContact ND2-OE2 2.53Å; L202-E220 HydrophobicContact CD1-CB 3.63Å; L202-E220 HydrophobicContact CD1-CG 3.99Å; L202-E220 HydrophobicContact CD2-CB 4.03Å; L202-E220 HydrophobicContact CG-CB 4.49Å; Q218-E220 WeakPolarHBondContact CB-OE2 3.46Å; Q218-E220 PolarHBondContact O-N 3.22Å; Q218-E220 VanDerWaalsContact O-N 3.09Å; E220-V224 WeakPolarHBondContact O-CG2 3.4Å; E220-V224 PolarHBondContact O-N 2.74Å; E220-V224 VanDerWaalsContact O-N 3.14Å
221	T	98.8	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-39.9	176	-61.9	0	0	0	0	112.1	N205 F206 Q218 V224 K225	N205-T221 HydrophobicContact CB-CG2 4.18Å; N205-T221 WeakPolarHBondContact OD1-CB 3.46Å; N205-T221 PolarHBondContact OD1-OG1 2.86Å; F206-T221 HydrophobicContact CD1-CG2 3.94Å; F206-T221 HydrophobicContact CD2-CG2 3.96Å; F206-T221 HydrophobicContact CE1-CG2 3.89Å; F206-T221 HydrophobicContact CE2-CG2 3.89Å; F206-T221 HydrophobicContact CG-CG2 3.98Å; F206-T221 HydrophobicContact CZ-CG2 3.87Å; Q218-T221 CarbonylContact O-C 3.5Å; Q218-T221 PolarHBondContact O-N 3.26Å; T221-V224 PolarHBondContact O-N 2.99Å; T221-K225 HydrophobicContact CG2-CD 4.21Å; T221-K225 WeakPolarHBondContact O-CE 3.5Å; T221-K225 VanDerWaalsContact O-CG 3.29Å; T221-K225 WeakPolarHBondContact O-CG 3.32Å; T221-K225 PolarHBondContact O-N 3.42Å
222	D	98.8	Very high	96.6	Very high	67 Å²	67	53.6 Å²	53.6	36%	0.358	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-41.1	178.9	-65.4	-36	0	0	0	111.4	Q218 K225 D226	Q218-D222 WeakPolarHBondContact O-CB 3.46Å; Q218-D222 VanDerWaalsContact O-CG 3.31Å; Q218-D222 PolarHBondContact O-N 3.17Å; D222-K225 PolarHBondContact O-N 3.25Å; D222-K225 WeakPolarHBondContact OD1-CE 3.37Å; D222-K225 IonicContact OD1-NZ 3.71Å; D222-K225 PolarHBondContact OD1-NZ 3.14Å; D222-D226 WeakPolarHBondContact O-CB 3.2Å; D222-D226 PolarHBondContact O-N 3.04Å
223	S	98.9	Very high	97	Very high	16 Å²	16	46.3 Å²	46.3	11%	0.112	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-42.2	173.7	-55.8	0	0	0	0	112.1	I98 P219 W227	I98-S223 WeakPolarHBondContact O-CB 3.33Å; P219-S223 VanDerWaalsContact O-CB 3.26Å; P219-S223 WeakPolarHBondContact O-CB 3.31Å; P219-S223 PolarHBondContact O-N 2.98Å; P219-S223 PolarHBondContact O-OG 2.82Å; S223-W227 VanDerWaalsContact O-CB 3.26Å; S223-W227 WeakPolarHBondContact O-CB 3.11Å; S223-W227 PolarHBondContact O-N 2.67Å
224	V	98.9	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-37.1	178.9	169.6	0	0	0	0	112.1	I98 L172 M175 F206 E220 T221 W227 I228 M318	I98-V224 HydrophobicContact CD1-CG2 3.63Å; L172-V224 HydrophobicContact CD2-CG2 4.07Å; M175-V224 HydrophobicContact CE-CB 4.07Å; M175-V224 HydrophobicContact CE-CG2 3.77Å; M175-V224 HydrophobicContact CG-CG2 4.11Å; M175-V224 HydrophobicContact SD-CG2 3.83Å; F206-V224 HydrophobicContact CE1-CG1 4.1Å; F206-V224 HydrophobicContact CZ-CB 4.29Å; F206-V224 HydrophobicContact CZ-CG1 3.93Å; E220-V224 WeakPolarHBondContact O-CG2 3.4Å; E220-V224 PolarHBondContact O-N 2.74Å; E220-V224 VanDerWaalsContact O-N 3.14Å; T221-V224 PolarHBondContact O-N 2.99Å; V224-W227 HydrophobicContact CG1-CE3 4.48Å; V224-W227 HydrophobicContact CG2-CE3 4.48Å; V224-W227 PolarHBondContact O-N 2.72Å; V224-I228 HydrophobicContact CG1-CD1 3.66Å; V224-I228 HydrophobicContact CG1-CG1 4.34Å; V224-I228 WeakPolarHBondContact O-CD1 3.3Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.13Å; V224-I228 PolarHBondContact O-N 2.78Å; V224-M318 HydrophobicContact CG1-SD 3.94Å
225	K	98.8	Very high	97.6	Very high	44 Å²	44	39.5 Å²	39.5	19%	0.191	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-45.2	173.1	-69.3	176.9	-58.7	-170.4	0	112	F206 T221 D222 W227 I228 S229 Y321	F206-K225 HydrophobicContact CD1-CD 4.19Å; F206-K225 HydrophobicContact CD1-CG 3.83Å; F206-K225 HydrophobicContact CE1-CG 3.77Å; T221-K225 HydrophobicContact CG2-CD 4.21Å; T221-K225 WeakPolarHBondContact O-CE 3.5Å; T221-K225 VanDerWaalsContact O-CG 3.29Å; T221-K225 WeakPolarHBondContact O-CG 3.32Å; T221-K225 PolarHBondContact O-N 3.42Å; D222-K225 PolarHBondContact O-N 3.25Å; D222-K225 WeakPolarHBondContact OD1-CE 3.37Å; D222-K225 IonicContact OD1-NZ 3.71Å; D222-K225 PolarHBondContact OD1-NZ 3.14Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-W227 PolarHBondContact O-N 3.11Å; K225-I228 PolarHBondContact O-N 2.93Å; K225-S229 WeakPolarHBondContact O-CB 3.38Å; K225-S229 PolarHBondContact O-N 3.03Å; K225-Y321 HydrophobicContact CB-CE1 4.28Å; K225-Y321 HydrophobicContact CD-CE1 4.47Å; K225-Y321 HydrophobicContact CG-CD1 4.46Å; K225-Y321 HydrophobicContact CG-CE1 3.65Å
226	D	98.7	Very high	97.8	Very high	67 Å²	67	34.8 Å²	34.8	36%	0.358	18%	0.177	S	C	.	.	H	α-helix	trans	-59	-44.7	175.2	172.6	83.9	0	0	0	111.3	D222 S229 K230	D222-D226 WeakPolarHBondContact O-CB 3.2Å; D222-D226 PolarHBondContact O-N 3.04Å; D226-S229 PolarHBondContact O-N 2.85Å; D226-S229 PolarHBondContact O-OG 3.13Å; D226-K230 WeakPolarHBondContact O-CG 3.16Å; D226-K230 PolarHBondContact O-N 2.92Å; D226-K230 WeakPolarHBondContact OD1-CE 3.25Å; D226-K230 IonicContact OD1-NZ 2.63Å; D226-K230 PolarHBondContact OD1-NZ 3.01Å; D226-K230 WeakPolarHBondContact OD2-CE 3.4Å; D226-K230 IonicContact OD2-NZ 2.73Å; D226-K230 PolarHBondContact OD2-NZ 3.39Å
227	W	98.6	Very high	97.9	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.023	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-49.3	177	177.1	43.1	0	0	0	113.3	Y96 I98 V109 K127 V129 H170 L172 S223 V224 K225 S229 K230 I231 F233	Y96-W227 AromaticContact CZ-NE1 3.88Å; Y96-W227 PolarHBondContact OH-NE1 3.39Å; I98-W227 HydrophobicContact CB-CB 4.21Å; I98-W227 HydrophobicContact CB-CG 4.38Å; I98-W227 HydrophobicContact CD1-CB 4.29Å; I98-W227 HydrophobicContact CD1-CD2 4.21Å; I98-W227 HydrophobicContact CD1-CE3 3.84Å; I98-W227 HydrophobicContact CD1-CG 4.44Å; I98-W227 HydrophobicContact CG2-CB 3.87Å; I98-W227 HydrophobicContact CG2-CD2 3.88Å; I98-W227 HydrophobicContact CG2-CG 3.54Å; V109-W227 HydrophobicContact CG1-CH2 4.36Å; V109-W227 HydrophobicContact CG1-CZ2 3.78Å; V109-W227 HydrophobicContact CG2-CH2 4.21Å; V109-W227 HydrophobicContact CG2-CZ2 4.01Å; K127-W227 HydrophobicContact CB-CH2 4.02Å; K127-W227 HydrophobicContact CB-CZ2 4.35Å; K127-W227 HydrophobicContact CD-CE3 4.45Å; K127-W227 HydrophobicContact CD-CH2 3.61Å; K127-W227 HydrophobicContact CD-CZ2 4.15Å; K127-W227 HydrophobicContact CD-CZ3 3.78Å; K127-W227 HydrophobicContact CG-CH2 4.35Å; V129-W227 HydrophobicContact CG2-CH2 4.46Å; V129-W227 HydrophobicContact CG2-CZ3 4Å; H170-W227 HydrophobicContact CB-CZ2 3.81Å; L172-W227 HydrophobicContact CB-CH2 4.13Å; L172-W227 HydrophobicContact CB-CZ3 4.24Å; L172-W227 HydrophobicContact CD2-CE3 4.46Å; L172-W227 HydrophobicContact CD2-CZ3 3.87Å; S223-W227 VanDerWaalsContact O-CB 3.26Å; S223-W227 WeakPolarHBondContact O-CB 3.11Å; S223-W227 PolarHBondContact O-N 2.67Å; V224-W227 HydrophobicContact CG1-CE3 4.48Å; V224-W227 HydrophobicContact CG2-CE3 4.48Å; V224-W227 PolarHBondContact O-N 2.72Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-W227 PolarHBondContact O-N 3.11Å; W227-S229 PolarHBondContact O-N 2.99Å; W227-K230 PolarHBondContact O-N 2.76Å; W227-K230 VanDerWaalsContact O-N 3.12Å; W227-I231 PolarHBondContact O-N 3.32Å; W227-F233 HydrophobicContact CD2-CE2 4.22Å; W227-F233 HydrophobicContact CD2-CZ 4.35Å; W227-F233 AromaticContact CE2-CE2 3.85Å; W227-F233 AromaticContact CE2-CZ 3.53Å; W227-F233 HydrophobicContact CH2-CZ 4.42Å; W227-F233 HydrophobicContact CZ2-CE1 4.35Å; W227-F233 HydrophobicContact CZ2-CE2 4.17Å; W227-F233 AromaticContact CZ2-CZ 3.56Å; W227-F233 HydrophobicContact CZ2-CZ 3.56Å; W227-F233 AromaticContact NE1-CE2 3.91Å; W227-F233 AromaticContact NE1-CZ 3.57Å
228	I	97.8	Very high	98	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-33.6	175.8	-64.6	162.1	0	0	0	110.7	V224 K225 K230 Y321 N322 Y326	V224-I228 HydrophobicContact CG1-CD1 3.66Å; V224-I228 HydrophobicContact CG1-CG1 4.34Å; V224-I228 WeakPolarHBondContact O-CD1 3.3Å; V224-I228 VanDerWaalsContact O-CG1 3.23Å; V224-I228 WeakPolarHBondContact O-CG1 3.13Å; V224-I228 PolarHBondContact O-N 2.78Å; K225-I228 PolarHBondContact O-N 2.93Å; I228-K230 PolarHBondContact O-N 2.76Å; I228-Y321 HydrophobicContact CD1-CD1 4.42Å; I228-Y321 HydrophobicContact CD1-CE1 4.39Å; I228-N322 WeakPolarHBondContact CD1-OD1 3.22Å; I228-Y326 HydrophobicContact CG2-CD1 4.31Å; I228-Y326 HydrophobicContact CG2-CD2 3.38Å; I228-Y326 HydrophobicContact CG2-CE2 3.72Å; I228-Y326 HydrophobicContact CG2-CG 3.71Å
229	S	96.3	Very high	98	Very high	62 Å²	62	25.4 Å²	25.4	43%	0.434	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.5	177.9	81.6	0	0	0	0	115.1	K225 D226 W227 Y326	K225-S229 WeakPolarHBondContact O-CB 3.38Å; K225-S229 PolarHBondContact O-N 3.03Å; D226-S229 PolarHBondContact O-N 2.85Å; D226-S229 PolarHBondContact O-OG 3.13Å; W227-S229 PolarHBondContact O-N 2.99Å; S229-Y326 WeakPolarHBondContact CB-OH 3.45Å
230	K	94.5	Very high	98	Very high	140 Å²	140	23.5 Å²	23.5	61%	0.609	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-16.3	-174.9	-73.1	170.6	-178.2	168.8	0	114.7	D226 W227 I228	D226-K230 WeakPolarHBondContact O-CG 3.16Å; D226-K230 PolarHBondContact O-N 2.92Å; D226-K230 WeakPolarHBondContact OD1-CE 3.25Å; D226-K230 IonicContact OD1-NZ 2.63Å; D226-K230 PolarHBondContact OD1-NZ 3.01Å; D226-K230 WeakPolarHBondContact OD2-CE 3.4Å; D226-K230 IonicContact OD2-NZ 2.73Å; D226-K230 PolarHBondContact OD2-NZ 3.39Å; W227-K230 PolarHBondContact O-N 2.76Å; W227-K230 VanDerWaalsContact O-N 3.12Å; I228-K230 PolarHBondContact O-N 2.76Å
231	I	94.5	Very high	97.9	Very high	28 Å²	28	23.5 Å²	23.5	14%	0.144	12%	0.121	C	C	.	.	S	Bend	trans	-134.8	124.8	-175	-59	-176.3	0	0	0	108.3	D125 H170 W227 F233	D125-I231 HydrophobicContact CB-CG2 3.56Å; D125-I231 VanDerWaalsContact CG-CG2 3.4Å; D125-I231 VanDerWaalsContact OD2-CG2 3.29Å; D125-I231 WeakPolarHBondContact OD2-CG2 3.36Å; H170-I231 WeakPolarHBondContact CE1-CD1 3.28Å; W227-I231 PolarHBondContact O-N 3.32Å; I231-F233 HydrophobicContact CB-CD2 4.13Å; I231-F233 HydrophobicContact CB-CE1 4.36Å; I231-F233 HydrophobicContact CB-CE2 3.61Å; I231-F233 HydrophobicContact CB-CZ 3.74Å; I231-F233 HydrophobicContact CD1-CZ 4.09Å; I231-F233 HydrophobicContact CG1-CZ 4.47Å; I231-F233 HydrophobicContact CG2-CD1 4.05Å; I231-F233 HydrophobicContact CG2-CD2 4.18Å; I231-F233 HydrophobicContact CG2-CE1 3.68Å; I231-F233 HydrophobicContact CG2-CE2 3.84Å; I231-F233 HydrophobicContact CG2-CG 4.29Å; I231-F233 HydrophobicContact CG2-CZ 3.56Å; I231-F233 VanDerWaalsContact O-CD2 3.24Å; I231-F233 WeakPolarHBondContact O-CD2 3.38Å; I231-F233 PolarHBondContact O-N 2.8Å
232	Q	94.8	Very high	97.8	Very high	43 Å²	43	24.9 Å²	24.9	20%	0.201	14%	0.135	C	C	.	.			trans	-80.9	71.4	-173.8	-172	57.6	13.7	0	0	110.9	V234 Y326 Q395 T397	Q232-V234 PolarHBondContact O-N 3.46Å; Q232-Y326 PolarHBondContact NE2-O 3.34Å; Q232-Q395 PolarHBondContact NE2-O 2.89Å; Q232-T397 HydrophobicContact CB-CG2 4.09Å; Q232-T397 HydrophobicContact CG-CG2 4.41Å
233	F	98.1	Very high	97.7	Very high	5 Å²	5	22 Å²	22	2%	0.022	12%	0.121	C	C	.	.			trans	-62.7	124.5	-178.6	-69.3	-67.5	0	0	0	112.3	D125 K127 H170 W227 I231 C328	D125-F233 HydrophobicContact CB-CD1 4Å; D125-F233 HydrophobicContact CB-CE1 4.21Å; D125-F233 WeakPolarHBondContact O-CA 3.49Å; K127-F233 HydrophobicContact CB-CD1 3.94Å; K127-F233 HydrophobicContact CB-CE1 3.77Å; K127-F233 HydrophobicContact CB-CZ 4.32Å; K127-F233 HydrophobicContact CD-CD1 4.04Å; K127-F233 HydrophobicContact CD-CD2 3.83Å; K127-F233 HydrophobicContact CD-CE1 4.06Å; K127-F233 HydrophobicContact CD-CE2 3.84Å; K127-F233 HydrophobicContact CD-CG 3.93Å; K127-F233 HydrophobicContact CD-CZ 3.96Å; K127-F233 HydrophobicContact CG-CD1 4.08Å; K127-F233 HydrophobicContact CG-CE1 4.27Å; K127-F233 HydrophobicContact CG-CG 4.31Å; H170-F233 HydrophobicContact CB-CE1 4.08Å; H170-F233 HydrophobicContact CB-CZ 4.41Å; H170-F233 AromaticContact CD2-CE1 3.64Å; H170-F233 AromaticContact CG-CE1 3.91Å; W227-F233 HydrophobicContact CD2-CE2 4.22Å; W227-F233 HydrophobicContact CD2-CZ 4.35Å; W227-F233 AromaticContact CE2-CE2 3.85Å; W227-F233 AromaticContact CE2-CZ 3.53Å; W227-F233 HydrophobicContact CH2-CZ 4.42Å; W227-F233 HydrophobicContact CZ2-CE1 4.35Å; W227-F233 HydrophobicContact CZ2-CE2 4.17Å; W227-F233 AromaticContact CZ2-CZ 3.56Å; W227-F233 HydrophobicContact CZ2-CZ 3.56Å; W227-F233 AromaticContact NE1-CE2 3.91Å; W227-F233 AromaticContact NE1-CZ 3.57Å; I231-F233 HydrophobicContact CB-CD2 4.13Å; I231-F233 HydrophobicContact CB-CE1 4.36Å; I231-F233 HydrophobicContact CB-CE2 3.61Å; I231-F233 HydrophobicContact CB-CZ 3.74Å; I231-F233 HydrophobicContact CD1-CZ 4.09Å; I231-F233 HydrophobicContact CG1-CZ 4.47Å; I231-F233 HydrophobicContact CG2-CD1 4.05Å; I231-F233 HydrophobicContact CG2-CD2 4.18Å; I231-F233 HydrophobicContact CG2-CE1 3.68Å; I231-F233 HydrophobicContact CG2-CE2 3.84Å; I231-F233 HydrophobicContact CG2-CG 4.29Å; I231-F233 HydrophobicContact CG2-CZ 3.56Å; I231-F233 VanDerWaalsContact O-CD2 3.24Å; I231-F233 WeakPolarHBondContact O-CD2 3.38Å; I231-F233 PolarHBondContact O-N 2.8Å; F233-C328 HydrophobicContact CB-CB 4.34Å; F233-C328 WeakPolarHBondContact CB-SG 3.39Å; F233-C328 WeakPolarHBondContact O-CA 3.39Å; F233-C328 WeakPolarHBondContact O-CB 3.38Å; F233-C328 PolarHBondContact O-SG 3.2Å
234	V	98.3	Very high	97.6	Very high	12 Å²	12	22.4 Å²	22.4	7%	0.073	12%	0.122	C	C	.	.	S	Bend	trans	-82.5	-46.6	179.6	-174.9	0	0	0	0	111.2	P124 D125 Q232 M329 A364 W403 I405	P124-V234 HydrophobicContact CB-CB 4.22Å; P124-V234 HydrophobicContact CB-CG2 3.6Å; D125-V234 PolarHBondContact O-N 3.43Å; Q232-V234 PolarHBondContact O-N 3.46Å; V234-M329 PolarHBondContact O-N 3.45Å; V234-A364 HydrophobicContact CG1-CB 4.44Å; V234-W403 HydrophobicContact CB-CB 4.38Å; V234-W403 HydrophobicContact CG1-CB 3.74Å; V234-W403 HydrophobicContact CG2-CB 3.66Å; V234-W403 HydrophobicContact CG2-CD2 3.92Å; V234-W403 HydrophobicContact CG2-CE3 3.81Å; V234-W403 HydrophobicContact CG2-CG 3.86Å; V234-I405 HydrophobicContact CG1-CD1 4.31Å; V234-I405 HydrophobicContact CG1-CG1 4.1Å
235	L	98.9	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.4	-174.4	-174	67.3	0	0	0	110.7	V126 K127 L277 M329 F360 E363 A364 I405	V126-L235 WeakPolarHBondContact CA-O 3.24Å; V126-L235 HydrophobicContact CB-CB 4.43Å; V126-L235 HydrophobicContact CG1-CB 4.03Å; K127-L235 PolarHBondContact N-O 3.12Å; L235-L277 HydrophobicContact CD1-CD1 3.77Å; L235-L277 HydrophobicContact CD1-CD2 3.82Å; L235-L277 HydrophobicContact CD1-CG 4.42Å; L235-M329 HydrophobicContact CD1-CB 4.26Å; L235-F360 HydrophobicContact CD1-CE1 4.01Å; L235-F360 HydrophobicContact CD1-CE2 4.11Å; L235-F360 HydrophobicContact CD1-CZ 3.56Å; L235-F360 HydrophobicContact CD2-CD1 3.98Å; L235-F360 HydrophobicContact CD2-CE1 3.76Å; L235-F360 HydrophobicContact CD2-CZ 4.07Å; L235-F360 WeakPolarHBondContact CD2-O 3.46Å; L235-F360 HydrophobicContact CG-CD1 4.37Å; L235-F360 HydrophobicContact CG-CE1 3.65Å; L235-F360 HydrophobicContact CG-CZ 3.76Å; L235-E363 HydrophobicContact CD2-CB 4.31Å; L235-A364 HydrophobicContact CB-CB 4.04Å; L235-A364 HydrophobicContact CD2-CB 4.26Å; L235-I405 HydrophobicContact CB-CD1 4.13Å; L235-I405 HydrophobicContact CD1-CD1 3.74Å; L235-I405 HydrophobicContact CG-CD1 4.35Å
236	S	98.9	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152	-177	-160.9	0	0	0	0	113.2	K127 M329 E330 I331 F360	K127-S236 VanDerWaalsContact CE-OG 3.22Å; K127-S236 WeakPolarHBondContact CE-OG 3.31Å; K127-S236 WeakPolarHBondContact CG-OG 3.28Å; K127-S236 VanDerWaalsContact NZ-CB 3.33Å; K127-S236 PolarHBondContact NZ-OG 3.01Å; K127-S236 VanDerWaalsContact O-CA 3.3Å; K127-S236 WeakPolarHBondContact O-CA 3.22Å; S236-M329 PolarHBondContact N-O 3.03Å; S236-E330 VanDerWaalsContact CB-OE2 3.25Å; S236-E330 WeakPolarHBondContact CB-OE2 3.15Å; S236-E330 WeakPolarHBondContact O-CA 3.43Å; S236-E330 PolarHBondContact OG-OE2 3.49Å; S236-I331 PolarHBondContact O-N 3.29Å; S236-F360 VanDerWaalsContact O-CZ 3.28Å; S236-F360 WeakPolarHBondContact O-CZ 3.29Å
237	G	98.9	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.2	167.6	0	0	0	0	0	112.4	K127 Y128 V129 I331	K127-G237 PolarHBondContact O-N 3.34Å; K127-G237 VanDerWaalsContact O-N 3.17Å; Y128-G237 WeakPolarHBondContact CA-O 3.46Å; V129-G237 PolarHBondContact N-O 2.84Å; G237-I331 WeakPolarHBondContact CA-O 3.33Å
238	S	98.8	Very high	97.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.6	170.6	-171.8	0	0	0	0	109.5	V129 H240 M318 I331 L333	V129-S238 CarbonylContact O-C 3.53Å; V129-S238 WeakPolarHBondContact O-CA 3.22Å; S238-H240 PolarHBondContact O-CD2 2.68Å; S238-H240 PolarHBondContact OG-CD2 2.88Å; S238-H240 PolarHBondContact OG-NE2 3.41Å; S238-M318 WeakPolarHBondContact OG-CE 3.4Å; S238-I331 PolarHBondContact N-O 2.9Å; S238-L333 PolarHBondContact O-N 3.32Å
239	L	98.9	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.5	-176.2	-75.2	69.4	0	0	0	111.7	Y128 V129 N131 M142 L143 L333 I335 L357	Y128-L239 HydrophobicContact CD1-CD1 3.47Å; Y128-L239 VanDerWaalsContact CD1-CD1 3.47Å; Y128-L239 HydrophobicContact CE1-CD1 3.96Å; Y128-L239 HydrophobicContact CG-CD1 4.12Å; V129-L239 PolarHBondContact O-N 2.95Å; N131-L239 PolarHBondContact N-O 3.27Å; M142-L239 HydrophobicContact CB-CD2 4.37Å; L143-L239 HydrophobicContact CD1-CD1 4.43Å; L143-L239 HydrophobicContact CD1-CD2 4.27Å; L143-L239 HydrophobicContact CD2-CD2 4.05Å; L143-L239 HydrophobicContact CG-CD2 3.93Å; L239-L333 HydrophobicContact CD1-CD1 4.11Å; L239-L333 HydrophobicContact CG-CB 4.42Å; L239-L333 HydrophobicContact CG-CD1 4.46Å; L239-I335 HydrophobicContact CD2-CD1 4.19Å; L239-L357 HydrophobicContact CD2-CD2 4.1Å
240	H	98.8	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	171.3	-169.7	-78.5	-83.1	0	0	0	112.8	I132 H133 E136 S238 L333 E334 I335	I132-H240 WeakPolarHBondContact CG2-CE1 3.41Å; I132-H240 WeakPolarHBondContact CG2-NE2 3.46Å; H133-H240 AromaticContact CE1-CE1 3.29Å; H133-H240 PolarHBondContact CE1-CE1 2.98Å; H133-H240 AromaticContact CE1-ND1 2.77Å; H133-H240 PolarHBondContact CE1-ND1 3.09Å; H133-H240 AromaticContact ND1-CE1 3.4Å; H133-H240 PolarHBondContact ND1-CE1 2.79Å; H133-H240 AromaticContact ND1-ND1 3.27Å; H133-H240 PolarHBondContact ND1-ND1 2.99Å; H133-H240 AromaticContact NE2-CE1 2.92Å; H133-H240 PolarHBondContact NE2-CE1 3.29Å; H133-H240 AromaticContact NE2-ND1 3.2Å; H133-H240 PolarHBondContact NE2-ND1 3.42Å; H133-H240 VanDerWaalsContact NE2-ND1 3.2Å; E136-H240 IonicContact OE2-CE1 3.85Å; E136-H240 IonicContact OE2-CG 3.13Å; E136-H240 IonicContact OE2-ND1 3.32Å; E136-H240 PolarHBondContact OE2-ND1 2.96Å; S238-H240 PolarHBondContact O-CD2 2.68Å; S238-H240 PolarHBondContact OG-CD2 2.88Å; S238-H240 PolarHBondContact OG-NE2 3.41Å; H240-L333 PolarHBondContact N-O 2.97Å; H240-E334 HydrophobicContact CB-CG 4.13Å; H240-I335 WeakPolarHBondContact O-CG1 3.17Å; H240-I335 PolarHBondContact O-N 2.87Å
241	G	97.6	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.			trans	-146.1	157.6	172.4	0	0	0	0	0	111.9	E136 E334 S336 K339	E136-G241 WeakPolarHBondContact CG-O 3.26Å; G241-E334 VanDerWaalsContact CA-OE2 3.22Å; G241-E334 WeakPolarHBondContact CA-OE2 3.43Å; G241-E334 PolarHBondContact N-OE2 2.79Å; G241-S336 CarbonylContact C-O 3.59Å; G241-S336 WeakPolarHBondContact CA-O 3.26Å; G241-S336 WeakPolarHBondContact CA-OG 3.18Å; G241-K339 PolarHBondContact O-NZ 2.89Å
242	G	95.8	Very high	97.7	Very high	29 Å²	29	7.3 Å²	7.3	30%	0.299	4%	0.044	S	C	.	.	S	Bend	trans	120.8	-18.5	-170.9	0	0	0	0	0	113	E334 S336	G242-E334 PolarHBondContact N-OE2 3.11Å; G242-S336 PolarHBondContact N-O 2.96Å
243	A	96.8	Very high	97.4	Very high	6 Å²	6	6.1 Å²	6.1	5%	0.05	4%	0.04	C	C	.	.	S	Bend	trans	-139	-176	170.2	0	0	0	0	0	111.6	V245 F301 W311 E334 S336	A243-V245 HydrophobicContact CB-CG1 4.15Å; A243-F301 HydrophobicContact CB-CE2 4.45Å; A243-W311 HydrophobicContact CB-CH2 3.68Å; A243-W311 HydrophobicContact CB-CZ2 3.86Å; A243-E334 HydrophobicContact CB-CB 3.88Å; A243-E334 HydrophobicContact CB-CG 4.01Å; A243-E334 PolarHBondContact N-OE2 3.06Å; A243-E334 VanDerWaalsContact N-OE2 3.09Å; A243-E334 CarbonylContact O-C 3.47Å; A243-S336 CarbonylContact O-C 3.14Å; A243-S336 PolarHBondContact O-N 3.13Å
244	L	98.1	Very high	96.4	Very high	26 Å²	26	9.4 Å²	9.4	14%	0.136	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	82.4	172.1	-171.6	67.1	0	0	0	110.1	K287 M288 E334	L244-K287 HydrophobicContact CD2-CB 4.14Å; L244-M288 HydrophobicContact CD1-CE 3.9Å; L244-M288 HydrophobicContact CG-CB 4.25Å; L244-M288 HydrophobicContact CG-CE 4.42Å; L244-M288 HydrophobicContact CG-CG 4.3Å; L244-E334 CarbonylContact C-O 3.49Å; L244-E334 VanDerWaalsContact CA-O 3.27Å; L244-E334 WeakPolarHBondContact CA-O 3.47Å
245	V	98.7	Very high	94.8	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	145.1	-172.3	63.1	0	0	0	0	111.8	A243 F301 T306 W311 E334	A243-V245 HydrophobicContact CB-CG1 4.15Å; V245-F301 HydrophobicContact CB-CB 4.32Å; V245-F301 HydrophobicContact CB-CD1 4.46Å; V245-F301 HydrophobicContact CB-CD2 3.59Å; V245-F301 HydrophobicContact CB-CE2 3.89Å; V245-F301 HydrophobicContact CB-CG 3.89Å; V245-F301 HydrophobicContact CB-CZ 4.43Å; V245-F301 HydrophobicContact CG1-CD2 4.08Å; V245-F301 HydrophobicContact CG1-CE2 3.83Å; V245-F301 HydrophobicContact CG1-CZ 4.06Å; V245-F301 HydrophobicContact CG2-CB 3.75Å; V245-F301 HydrophobicContact CG2-CD1 3.9Å; V245-F301 HydrophobicContact CG2-CD2 3.84Å; V245-F301 HydrophobicContact CG2-CE1 4.4Å; V245-F301 HydrophobicContact CG2-CE2 4.35Å; V245-F301 HydrophobicContact CG2-CG 3.56Å; V245-T306 HydrophobicContact CG1-CG2 4.37Å; V245-T306 HydrophobicContact CG2-CG2 3.69Å; V245-W311 HydrophobicContact CG1-CE3 4.42Å; V245-W311 HydrophobicContact CG1-CH2 4.3Å; V245-W311 HydrophobicContact CG1-CZ3 4.02Å; V245-E334 HydrophobicContact CG1-CB 3.9Å; V245-E334 HydrophobicContact CG1-CG 4.16Å; V245-E334 PolarHBondContact N-O 3.01Å; V245-E334 WeakPolarHBondContact O-CB 3.32Å; V245-E334 PolarHBondContact O-N 2.86Å
246	A	98.8	Very high	92.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.9	162.8	0	0	0	0	0	108.9	M288 G304 I305 T306 I331 L333	A246-M288 HydrophobicContact CB-SD 4.08Å; A246-M288 PolarHBondContact N-SD 3.3Å; A246-M288 VanDerWaalsContact N-SD 3.41Å; A246-G304 PolarHBondContact N-O 1.75Å; A246-I305 HydrophobicContact CB-CG2 4.39Å; A246-I305 VanDerWaalsContact O-CA 3.27Å; A246-I305 WeakPolarHBondContact O-CA 3.41Å; A246-T306 PolarHBondContact O-N 2.91Å; A246-I331 HydrophobicContact CB-CD1 4.43Å; A246-L333 HydrophobicContact CB-CD2 4.06Å
247	S	98.7	Very high	90.5	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.2	178.5	-165.9	0	0	0	0	110.9	T306 G308 Q319 I331 T332	S247-T306 CarbonylContact C-O 3.53Å; S247-T306 WeakPolarHBondContact CA-O 3.47Å; S247-T306 WeakPolarHBondContact OG-CG2 3.24Å; S247-T306 PolarHBondContact OG-O 2.77Å; S247-G308 WeakPolarHBondContact OG-CA 3.15Å; S247-Q319 PolarHBondContact O-OE1 3.37Å; S247-Q319 VanDerWaalsContact O-OE1 3.11Å; S247-I331 WeakPolarHBondContact O-CB 3.45Å; S247-T332 PolarHBondContact N-O 2.97Å; S247-T332 PolarHBondContact O-N 3.49Å
248	Y	98.8	Very high	87.9	Confident	16 Å²	16	31.5 Å²	31.5	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.2	-173.9	59.9	-91.9	0	0	0	114	F274 K275 S278 I305 T306 N307 G308	Y248-F274 HydrophobicContact CD2-CB 4.05Å; Y248-F274 HydrophobicContact CG-CB 4.3Å; Y248-K275 HydrophobicContact CE1-CG 4.05Å; Y248-K275 HydrophobicContact CE2-CD 4.48Å; Y248-K275 HydrophobicContact CE2-CG 3.76Å; Y248-K275 WeakPolarHBondContact OH-CE 3.21Å; Y248-S278 WeakPolarHBondContact CB-OG 3.3Å; Y248-S278 WeakPolarHBondContact CD1-OG 3.36Å; Y248-I305 HydrophobicContact CE1-CB 4.16Å; Y248-I305 HydrophobicContact CE1-CD1 4Å; Y248-I305 HydrophobicContact CE1-CG1 4.34Å; Y248-T306 WeakPolarHBondContact CD1-O 3.24Å; Y248-T306 VanDerWaalsContact CE1-O 3.23Å; Y248-T306 WeakPolarHBondContact CE1-O 3.24Å; Y248-T306 PolarHBondContact N-O 3Å; Y248-N307 HydrophobicContact CD2-CB 4.41Å; Y248-N307 HydrophobicContact CE2-CB 3.77Å; Y248-N307 WeakPolarHBondContact O-CA 3.33Å; Y248-G308 PolarHBondContact O-N 3.2Å
249	P	98.5	Very high	85.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-58	157.2	-175.6	-29.8	37.1	0	0	0	115.7	T268 F274 N307 Q319	P249-T268 HydrophobicContact CB-CG2 3.49Å; P249-T268 VanDerWaalsContact CB-CG2 3.49Å; P249-F274 HydrophobicContact CB-CE2 4.48Å; P249-F274 HydrophobicContact CB-CZ 4.48Å; P249-F274 HydrophobicContact CG-CD1 4.1Å; P249-F274 HydrophobicContact CG-CE1 3.74Å; P249-F274 HydrophobicContact CG-CE2 4.29Å; P249-F274 HydrophobicContact CG-CZ 3.84Å; P249-N307 VanDerWaalsContact C-ND2 3.28Å; P249-N307 PolarHBondContact O-ND2 3.12Å; P249-Q319 HydrophobicContact CG-CG 3.83Å
250	Y	97.6	Very high	82.7	Confident	10 Å²	10	43.2 Å²	43.2	4%	0.039	23%	0.234	C	C	.	.			cis	-80.1	148.6	-8.5	-68.3	-65.9	0	0	0	112.6	Y209 F210 S266 L267 T268 N307 A309 D320 Y323 V324	Y209-Y250 HydrophobicContact CD1-CE1 4.14Å; F210-Y250 HydrophobicContact CE2-CD1 4.04Å; F210-Y250 HydrophobicContact CE2-CD2 4.25Å; F210-Y250 AromaticContact CE2-CG 3.83Å; F210-Y250 HydrophobicContact CE2-CG 3.83Å; F210-Y250 HydrophobicContact CZ-CD1 4.17Å; F210-Y250 AromaticContact CZ-CD2 3.66Å; F210-Y250 HydrophobicContact CZ-CD2 3.66Å; F210-Y250 HydrophobicContact CZ-CE2 4.02Å; F210-Y250 AromaticContact CZ-CG 3.73Å; F210-Y250 HydrophobicContact CZ-CG 3.73Å; Y250-S266 PolarHBondContact N-O 2.88Å; Y250-L267 WeakPolarHBondContact CD2-O 3.36Å; Y250-L267 WeakPolarHBondContact CE2-O 3.34Å; Y250-T268 HydrophobicContact CD1-CG2 3.92Å; Y250-T268 HydrophobicContact CD2-CG2 3.76Å; Y250-T268 HydrophobicContact CE1-CG2 3.84Å; Y250-T268 HydrophobicContact CE2-CG2 3.7Å; Y250-T268 HydrophobicContact CG-CG2 3.89Å; Y250-N307 PolarHBondContact N-ND2 2.7Å; Y250-N307 PolarHBondContact O-ND2 3.14Å; Y250-A309 WeakPolarHBondContact O-CB 3.42Å; Y250-A309 PolarHBondContact O-N 3.27Å; Y250-D320 WeakPolarHBondContact CA-OD1 3.13Å; Y250-Y323 AromaticContact CE1-CD1 3.96Å; Y250-Y323 HydrophobicContact CE1-CD1 3.96Å; Y250-Y323 HydrophobicContact CE1-CE1 4.04Å; Y250-V324 HydrophobicContact CE1-CG2 3.66Å
251	D	96.2	Very high	80.4	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	28%	0.275	C	S	.	.			trans	-77.6	-30.6	174.2	-90	-5.5	0	0	0	112.6	A309 P313 L314 Q319 D320	D251-A309 WeakPolarHBondContact O-CA 3.47Å; D251-A309 PolarHBondContact O-N 3.46Å; D251-P313 CarbonylContact O-C 3.53Å; D251-P313 WeakPolarHBondContact O-CA 3.48Å; D251-L314 HydrophobicContact CB-CB 3.98Å; D251-L314 HydrophobicContact CB-CD2 4.12Å; D251-L314 HydrophobicContact CB-CG 4.38Å; D251-L314 PolarHBondContact O-N 2.78Å; D251-Q319 PolarHBondContact OD1-NE2 2.66Å; D251-Q319 PolarHBondContact OD2-NE2 3.37Å; D251-D320 VanDerWaalsContact N-CG 3.3Å; D251-D320 PolarHBondContact N-OD1 3.05Å; D251-D320 PolarHBondContact N-OD2 3.38Å
252	N	92.3	Very high	78.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-117.2	176.3	-177.4	-165.8	7.9	0	0	0	112.4	D208 F210 S256 S266 L314 T315	D208-N252 VanDerWaalsContact CG-ND2 3.29Å; D208-N252 PolarHBondContact OD1-ND2 3.41Å; D208-N252 VanDerWaalsContact OD1-ND2 3.11Å; D208-N252 PolarHBondContact OD2-ND2 2.98Å; F210-N252 HydrophobicContact CD2-CB 3.87Å; F210-N252 HydrophobicContact CE2-CB 4.38Å; F210-N252 WeakPolarHBondContact CE2-O 3.5Å; N252-S256 PolarHBondContact OD1-OG 2.77Å; N252-S266 VanDerWaalsContact O-CB 3.23Å; N252-S266 WeakPolarHBondContact O-CB 3.03Å; N252-S266 PolarHBondContact O-OG 3.5Å; N252-L314 WeakPolarHBondContact CB-O 3.34Å; N252-T315 PolarHBondContact ND2-OG1 2.88Å
253	T	88.4	Confident	76.9	Confident	18 Å²	18	58.9 Å²	58.9	11%	0.11	31%	0.312	C	S	.	.			trans	-127.6	154.6	175.7	79.4	0	0	0	0	112.3	N255 S256 A309 P313	T253-N255 PolarHBondContact O-N 3.18Å; T253-N255 VanDerWaalsContact O-N 3.07Å; T253-S256 WeakPolarHBondContact OG1-CB 3.41Å; T253-S256 PolarHBondContact OG1-N 3.25Å; T253-A309 HydrophobicContact CG2-CB 3.76Å; T253-P313 HydrophobicContact CG2-CG 4.27Å
254	P	77.4	Confident	76.3	Confident	74 Å²	74	61 Å²	61	48%	0.481	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27	176.6	-27.4	32.9	0	0	0	115.9	F210	F210-P254 HydrophobicContact CD1-CB 4.12Å; F210-P254 HydrophobicContact CD1-CG 3.61Å; F210-P254 HydrophobicContact CE1-CG 3.69Å
255	N	63.9	Low	76	Confident	108 Å²	108	63.4 Å²	63.4	58%	0.578	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	27.8	-164.9	-81.3	-53.3	0	0	0	114.6	T253 M257 F258	T253-N255 PolarHBondContact O-N 3.18Å; T253-N255 VanDerWaalsContact O-N 3.07Å; N255-M257 PolarHBondContact O-N 3.37Å; N255-F258 PolarHBondContact O-N 3.39Å
256	S	58.2	Low	75.8	Confident	38 Å²	38	64.2 Å²	64.2	27%	0.266	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	31	176.7	56.5	0	0	0	0	115	K211 N252 T253	K211-S256 WeakPolarHBondContact CE-OG 3.3Å; K211-S256 PolarHBondContact NZ-O 2.84Å; K211-S256 PolarHBondContact NZ-OG 3.42Å; N252-S256 PolarHBondContact OD1-OG 2.77Å; T253-S256 WeakPolarHBondContact OG1-CB 3.41Å; T253-S256 PolarHBondContact OG1-N 3.25Å
257	M	48.4	Very low	75.7	Confident	142 Å²	142	68.6 Å²	68.6	70%	0.7	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-25.4	172.8	-171.1	-179.9	-70.5	0	0	112.4	N255	N255-M257 PolarHBondContact O-N 3.37Å
258	F	45.4	Very low	75.6	Confident	188 Å²	188	69 Å²	69	83%	0.825	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	1.1	-176.4	-73.7	-76.6	0	0	0	114.7	N255	N255-F258 PolarHBondContact O-N 3.39Å
259	Q	43.5	Very low	75.6	Confident	114 Å²	114	70.2 Å²	70.2	53%	0.533	39%	0.388	S	S	.	.			trans	-96.9	117.1	174.5	-74.9	-179.1	-38.6	0	0	111.3	Y261	Q259-Y261 PolarHBondContact O-N 2.91Å
260	T	44.8	Very low	75.6	Confident	132 Å²	132	70.2 Å²	70.2	81%	0.81	39%	0.388	S	S	*	.			trans	-68	91.1	173.1	-52.3	0	0	0	0	110.7	S262	T260-S262 PolarHBondContact O-N 3.5Å
261	Y	51.2	Low	75.6	Confident	218 Å²	218	71 Å²	71	86%	0.855	39%	0.393	S	S	*	.			trans	39.6	42.3	166.7	-64.8	-78.6	0	0	0	116.4	Q259 A263	Q259-Y261 PolarHBondContact O-N 2.91Å; Y261-A263 PolarHBondContact O-N 3.38Å; Y261-A263 VanDerWaalsContact O-N 3.14Å
262	S	52.3	Low	75.7	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	41%	0.406	S	S	.	.			trans	-70.7	108.5	169.1	53.9	0	0	0	0	108.8	T260 A264	T260-S262 PolarHBondContact O-N 3.5Å; S262-A264 PolarHBondContact O-N 3.01Å
263	A	66.8	Low	76	Confident	81 Å²	81	73.5 Å²	73.5	67%	0.669	41%	0.406	S	S	*	.			trans	-69.7	56.6	174.9	0	0	0	0	0	111.8	Y261 A310	Y261-A263 PolarHBondContact O-N 3.38Å; Y261-A263 VanDerWaalsContact O-N 3.14Å; A263-A310 WeakPolarHBondContact CB-O 3.49Å
264	A	84	Confident	76.5	Confident	50 Å²	50	72.6 Å²	72.6	41%	0.413	40%	0.401	S	S	.	.			trans	-102	134.7	-178.3	0	0	0	0	0	109.3	S262	S262-A264 PolarHBondContact O-N 3.01Å
265	P	91.6	Very high	77.5	Confident	77 Å²	77	72.3 Å²	72.3	50%	0.5	39%	0.392	S	S	.	.			trans	-70.6	139.7	-176.5	29.2	-35.3	0	0	0	112.1	L267 N307 A310	P265-L267 HydrophobicContact CB-CD2 3.84Å; P265-L267 HydrophobicContact CG-CD2 4.09Å; P265-N307 WeakPolarHBondContact CA-OD1 3.22Å; P265-N307 HydrophobicContact CB-CB 3.97Å; P265-A310 HydrophobicContact CB-CB 4.1Å
266	S	95.2	Very high	79.2	Confident	17 Å²	17	69 Å²	69	12%	0.119	37%	0.373	C	S	.	.			trans	-98.2	98.6	167.1	-167.1	0	0	0	0	108.6	Y250 N252 N307	Y250-S266 PolarHBondContact N-O 2.88Å; N252-S266 VanDerWaalsContact O-CB 3.23Å; N252-S266 WeakPolarHBondContact O-CB 3.03Å; N252-S266 PolarHBondContact O-OG 3.5Å; S266-N307 PolarHBondContact N-OD1 2.92Å; S266-N307 PolarHBondContact O-ND2 3.36Å
267	L	96.1	Very high	81.1	Confident	93 Å²	93	67.2 Å²	67.2	49%	0.487	36%	0.361	S	S	.	.			trans	-76.4	138	-173.4	-51.8	177.6	0	0	0	111	Y250 P265 D271	Y250-L267 WeakPolarHBondContact CD2-O 3.36Å; Y250-L267 WeakPolarHBondContact CE2-O 3.34Å; P265-L267 HydrophobicContact CB-CD2 3.84Å; P265-L267 HydrophobicContact CG-CD2 4.09Å; L267-D271 HydrophobicContact CB-CB 4.31Å; L267-D271 WeakPolarHBondContact CD2-OD1 3.42Å
268	T	97.4	Very high	83.5	Confident	9 Å²	9	60.5 Å²	60.5	6%	0.055	33%	0.327	C	S	.	.			trans	-81.7	161.8	165.3	55.4	0	0	0	0	111.3	P249 Y250 D270 D271 F274 Y323	P249-T268 HydrophobicContact CB-CG2 3.49Å; P249-T268 VanDerWaalsContact CB-CG2 3.49Å; Y250-T268 HydrophobicContact CD1-CG2 3.92Å; Y250-T268 HydrophobicContact CD2-CG2 3.76Å; Y250-T268 HydrophobicContact CE1-CG2 3.84Å; Y250-T268 HydrophobicContact CE2-CG2 3.7Å; Y250-T268 HydrophobicContact CG-CG2 3.89Å; T268-D270 PolarHBondContact O-N 2.87Å; T268-D270 VanDerWaalsContact O-N 3.15Å; T268-D270 PolarHBondContact OG1-N 3.44Å; T268-D271 VanDerWaalsContact O-CB 3.32Å; T268-D271 WeakPolarHBondContact O-CB 3.45Å; T268-D271 PolarHBondContact O-N 2.94Å; T268-D271 WeakPolarHBondContact OG1-CA 3.27Å; T268-D271 PolarHBondContact OG1-N 2.73Å; T268-F274 HydrophobicContact CG2-CD2 4.28Å; T268-F274 HydrophobicContact CG2-CE2 4.18Å; T268-F274 WeakPolarHBondContact OG1-CD2 3.47Å; T268-Y323 HydrophobicContact CG2-CD1 3.93Å; T268-Y323 HydrophobicContact CG2-CE1 3.41Å; T268-Y323 VanDerWaalsContact CG2-CE1 3.41Å
269	P	97.6	Very high	86.1	Confident	42 Å²	42	52.8 Å²	52.8	27%	0.273	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-6	165.2	-18.7	30.1	0	0	0	115.1	Y323 R390 D391 V392	P269-Y323 WeakPolarHBondContact CD-OH 3.18Å; P269-R390 HydrophobicContact CB-CB 3.93Å; P269-R390 HydrophobicContact CB-CG 4.49Å; P269-R390 VanDerWaalsContact O-CD 3.29Å; P269-R390 WeakPolarHBondContact O-CD 3.47Å; P269-R390 WeakPolarHBondContact O-CG 3.29Å; P269-D391 HydrophobicContact CG-CB 4.24Å; P269-V392 HydrophobicContact CG-CG2 4.49Å
270	D	98.5	Very high	88.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	26.1	174.8	-63.3	-99.8	0	0	0	112.1	T268 D272 V273 F274 Y323 M329 R390 R404	T268-D270 PolarHBondContact O-N 2.87Å; T268-D270 VanDerWaalsContact O-N 3.15Å; T268-D270 PolarHBondContact OG1-N 3.44Å; D270-D272 PolarHBondContact O-N 3.01Å; D270-D272 VanDerWaalsContact O-N 3.13Å; D270-V273 HydrophobicContact CB-CB 4.48Å; D270-V273 PolarHBondContact O-N 2.92Å; D270-F274 HydrophobicContact CB-CD2 4.01Å; D270-F274 HydrophobicContact CB-CE2 4.11Å; D270-F274 WeakPolarHBondContact O-CD2 3.18Å; D270-F274 PolarHBondContact O-N 2.78Å; D270-Y323 HydrophobicContact CB-CE2 4.31Å; D270-Y323 PolarHBondContact N-OH 3.14Å; D270-Y323 PolarHBondContact OD2-OH 3.36Å; D270-M329 HydrophobicContact CB-CE 4.05Å; D270-R390 WeakPolarHBondContact OD1-CD 3.32Å; D270-R390 IonicContact OD1-CZ 1.75Å; D270-R390 IonicContact OD1-NE 2.74Å; D270-R390 IonicContact OD1-NH1 2.79Å; D270-R390 PolarHBondContact OD1-NH1 2.71Å; D270-R404 VanDerWaalsContact CG-NH2 3.27Å; D270-R404 IonicContact OD1-CZ 3.87Å; D270-R404 IonicContact OD1-NE 3.85Å; D270-R404 PolarHBondContact OD1-NE 3.21Å; D270-R404 IonicContact OD1-NH2 2.75Å; D270-R404 PolarHBondContact OD1-NH2 3.27Å; D270-R404 IonicContact OD2-CZ 2.91Å; D270-R404 IonicContact OD2-NH2 2.62Å; D270-R404 PolarHBondContact OD2-NH2 2.99Å
271	D	98.6	Very high	91.3	Very high	28 Å²	28	42 Å²	42	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-55.1	-30.8	-177.2	166.1	78.4	0	0	0	113.2	L267 T268 K275	L267-D271 HydrophobicContact CB-CB 4.31Å; L267-D271 WeakPolarHBondContact CD2-OD1 3.42Å; T268-D271 VanDerWaalsContact O-CB 3.32Å; T268-D271 WeakPolarHBondContact O-CB 3.45Å; T268-D271 PolarHBondContact O-N 2.94Å; T268-D271 WeakPolarHBondContact OG1-CA 3.27Å; T268-D271 PolarHBondContact OG1-N 2.73Å; D271-K275 VanDerWaalsContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CD 3.17Å; D271-K275 VanDerWaalsContact O-CG 3.27Å; D271-K275 WeakPolarHBondContact O-CG 3.47Å; D271-K275 PolarHBondContact O-N 2.75Å; D271-K275 WeakPolarHBondContact OD1-CE 3.26Å; D271-K275 IonicContact OD1-NZ 3.12Å; D271-K275 PolarHBondContact OD1-NZ 2.94Å; D271-K275 WeakPolarHBondContact OD2-CE 3.47Å; D271-K275 IonicContact OD2-NZ 2.5Å; D271-K275 PolarHBondContact OD2-NZ 3.23Å
272	D	98.5	Very high	93.5	Very high	55 Å²	55	31.6 Å²	31.6	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-49.2	172.8	67.7	-38	0	0	0	112.3	D270 H276 R390 L407	D270-D272 PolarHBondContact O-N 3.01Å; D270-D272 VanDerWaalsContact O-N 3.13Å; D272-H276 WeakPolarHBondContact O-CB 3.42Å; D272-H276 PolarHBondContact O-N 2.96Å; D272-H276 VanDerWaalsContact O-N 3.07Å; D272-R390 IonicContact OD1-CZ 3.73Å; D272-R390 VanDerWaalsContact OD1-CZ 3.29Å; D272-R390 IonicContact OD1-NH1 3.72Å; D272-R390 PolarHBondContact OD1-NH1 3.4Å; D272-R390 IonicContact OD1-NH2 3.34Å; D272-R390 PolarHBondContact OD1-NH2 3.3Å; D272-R390 IonicContact OD2-CZ 3.6Å; D272-R390 IonicContact OD2-NH1 3.9Å; D272-R390 IonicContact OD2-NH2 3.96Å; D272-R390 PolarHBondContact OD2-NH2 2.94Å; D272-L407 HydrophobicContact CB-CD1 3.99Å
273	V	98.6	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.8	-42.4	178.5	178.2	0	0	0	0	110.2	D270 K275 H276 L277 M329 I405 L407	D270-V273 HydrophobicContact CB-CB 4.48Å; D270-V273 PolarHBondContact O-N 2.92Å; V273-K275 PolarHBondContact O-N 3.28Å; V273-H276 WeakPolarHBondContact O-CB 3.22Å; V273-H276 PolarHBondContact O-N 2.94Å; V273-L277 HydrophobicContact CG1-CD1 3.97Å; V273-L277 HydrophobicContact CG1-CG 4.17Å; V273-L277 WeakPolarHBondContact O-CB 3.26Å; V273-L277 VanDerWaalsContact O-CG 3.32Å; V273-L277 WeakPolarHBondContact O-CG 3.22Å; V273-L277 PolarHBondContact O-N 3.19Å; V273-M329 HydrophobicContact CB-CE 4.38Å; V273-M329 HydrophobicContact CB-SD 4.39Å; V273-M329 HydrophobicContact CG1-CE 3.97Å; V273-M329 HydrophobicContact CG1-SD 3.47Å; V273-M329 WeakPolarHBondContact CG1-SD 3.12Å; V273-I405 HydrophobicContact CG1-CB 4.07Å; V273-I405 HydrophobicContact CG1-CG2 3.56Å; V273-L407 HydrophobicContact CG2-CD2 4.5Å; V273-L407 HydrophobicContact CG2-CG 4.04Å
274	F	98.9	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-39	179.3	-84	-64.3	0	0	0	113.4	Y248 P249 T268 D270 L277 S278 Y323 M329 E330 I331	Y248-F274 HydrophobicContact CD2-CB 4.05Å; Y248-F274 HydrophobicContact CG-CB 4.3Å; P249-F274 HydrophobicContact CB-CE2 4.48Å; P249-F274 HydrophobicContact CB-CZ 4.48Å; P249-F274 HydrophobicContact CG-CD1 4.1Å; P249-F274 HydrophobicContact CG-CE1 3.74Å; P249-F274 HydrophobicContact CG-CE2 4.29Å; P249-F274 HydrophobicContact CG-CZ 3.84Å; T268-F274 HydrophobicContact CG2-CD2 4.28Å; T268-F274 HydrophobicContact CG2-CE2 4.18Å; T268-F274 WeakPolarHBondContact OG1-CD2 3.47Å; D270-F274 HydrophobicContact CB-CD2 4.01Å; D270-F274 HydrophobicContact CB-CE2 4.11Å; D270-F274 WeakPolarHBondContact O-CD2 3.18Å; D270-F274 PolarHBondContact O-N 2.78Å; F274-L277 HydrophobicContact CD1-CD1 4.48Å; F274-S278 WeakPolarHBondContact O-CB 3.43Å; F274-S278 PolarHBondContact O-N 3.34Å; F274-S278 PolarHBondContact O-OG 2.73Å; F274-Y323 HydrophobicContact CE2-CD1 4.19Å; F274-Y323 AromaticContact CE2-CD2 3.67Å; F274-Y323 HydrophobicContact CE2-CD2 3.67Å; F274-Y323 HydrophobicContact CE2-CE1 4.12Å; F274-Y323 AromaticContact CE2-CE2 3.58Å; F274-Y323 HydrophobicContact CE2-CE2 3.58Å; F274-Y323 AromaticContact CE2-CG 3.97Å; F274-Y323 HydrophobicContact CE2-CG 3.97Å; F274-Y323 AromaticContact CE2-CZ 3.82Å; F274-Y323 HydrophobicContact CZ-CD1 4.36Å; F274-Y323 AromaticContact CZ-CD2 3.59Å; F274-Y323 HydrophobicContact CZ-CD2 3.59Å; F274-Y323 HydrophobicContact CZ-CE2 4Å; F274-Y323 AromaticContact CZ-CG 3.79Å; F274-Y323 HydrophobicContact CZ-CG 3.79Å; F274-M329 HydrophobicContact CE1-CB 3.85Å; F274-M329 HydrophobicContact CE1-CG 4.18Å; F274-M329 HydrophobicContact CZ-CB 4.01Å; F274-M329 HydrophobicContact CZ-CG 3.89Å; F274-E330 WeakPolarHBondContact CE1-O 3.37Å; F274-I331 HydrophobicContact CD1-CG2 3.73Å; F274-I331 HydrophobicContact CE1-CG2 4.19Å
275	K	98.8	Very high	98	Very high	68 Å²	68	32.5 Å²	32.5	30%	0.296	17%	0.166	S	C	.	.	H	α-helix	trans	-62.5	-44.7	170.2	-78.5	166.5	176.7	158.9	0	111.4	Y248 D271 V273 S278 L279 I305	Y248-K275 HydrophobicContact CE1-CG 4.05Å; Y248-K275 HydrophobicContact CE2-CD 4.48Å; Y248-K275 HydrophobicContact CE2-CG 3.76Å; Y248-K275 WeakPolarHBondContact OH-CE 3.21Å; D271-K275 VanDerWaalsContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CD 3.17Å; D271-K275 VanDerWaalsContact O-CG 3.27Å; D271-K275 WeakPolarHBondContact O-CG 3.47Å; D271-K275 PolarHBondContact O-N 2.75Å; D271-K275 WeakPolarHBondContact OD1-CE 3.26Å; D271-K275 IonicContact OD1-NZ 3.12Å; D271-K275 PolarHBondContact OD1-NZ 2.94Å; D271-K275 WeakPolarHBondContact OD2-CE 3.47Å; D271-K275 IonicContact OD2-NZ 2.5Å; D271-K275 PolarHBondContact OD2-NZ 3.23Å; V273-K275 PolarHBondContact O-N 3.28Å; K275-S278 PolarHBondContact O-N 3.43Å; K275-L279 WeakPolarHBondContact O-CB 3.35Å; K275-L279 VanDerWaalsContact O-CG 3.23Å; K275-L279 WeakPolarHBondContact O-CG 3.3Å; K275-L279 PolarHBondContact O-N 3.03Å; K275-I305 HydrophobicContact CG-CD1 4.35Å
276	H	98.7	Very high	98.3	Very high	39 Å²	39	31 Å²	31	18%	0.181	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-50.3	176.1	168.9	77	0	0	0	112.4	D272 V273 S278 L279 V280 E363 R366 L407	D272-H276 WeakPolarHBondContact O-CB 3.42Å; D272-H276 PolarHBondContact O-N 2.96Å; D272-H276 VanDerWaalsContact O-N 3.07Å; V273-H276 WeakPolarHBondContact O-CB 3.22Å; V273-H276 PolarHBondContact O-N 2.94Å; H276-S278 VanDerWaalsContact C-N 3.29Å; H276-S278 PolarHBondContact O-N 3.05Å; H276-L279 CarbonylContact O-C 3.44Å; H276-L279 PolarHBondContact O-N 3.23Å; H276-L279 VanDerWaalsContact O-N 3.11Å; H276-V280 WeakPolarHBondContact O-CG2 3.35Å; H276-V280 PolarHBondContact O-N 3.44Å; H276-E363 IonicContact CD2-OE2 2.65Å; H276-E363 IonicContact CE1-OE2 3.71Å; H276-E363 VanDerWaalsContact NE2-CD 3.33Å; H276-E363 IonicContact NE2-OE1 3.82Å; H276-E363 IonicContact NE2-OE2 3.98Å; H276-E363 PolarHBondContact NE2-OE2 3.03Å; H276-R366 PolarHBondContact NE2-NE 2.96Å; H276-R366 PolarHBondContact NE2-NH2 2.95Å; H276-L407 HydrophobicContact CB-CD1 4.27Å; H276-L407 HydrophobicContact CB-CD2 3.82Å
277	L	98.8	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.3	-42.7	176.9	-73.2	174.8	0	0	0	112.1	L235 V273 F274 V280 Y281 M329 F360 E363 I405	L235-L277 HydrophobicContact CD1-CD1 3.77Å; L235-L277 HydrophobicContact CD1-CD2 3.82Å; L235-L277 HydrophobicContact CD1-CG 4.42Å; V273-L277 HydrophobicContact CG1-CD1 3.97Å; V273-L277 HydrophobicContact CG1-CG 4.17Å; V273-L277 WeakPolarHBondContact O-CB 3.26Å; V273-L277 VanDerWaalsContact O-CG 3.32Å; V273-L277 WeakPolarHBondContact O-CG 3.22Å; V273-L277 PolarHBondContact O-N 3.19Å; F274-L277 HydrophobicContact CD1-CD1 4.48Å; L277-V280 PolarHBondContact O-N 2.68Å; L277-Y281 PolarHBondContact O-N 2.86Å; L277-M329 HydrophobicContact CD1-CB 3.95Å; L277-M329 HydrophobicContact CD1-SD 3.94Å; L277-F360 HydrophobicContact CB-CE2 4.19Å; L277-F360 HydrophobicContact CD2-CE2 4.42Å; L277-E363 HydrophobicContact CD2-CB 3.54Å; L277-E363 HydrophobicContact CD2-CG 4.11Å; L277-I405 HydrophobicContact CD2-CD1 4.41Å
278	S	98.9	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-41.1	176.7	-55	0	0	0	0	112.2	Y248 F274 K275 H276 Y281 A282	Y248-S278 WeakPolarHBondContact CB-OG 3.3Å; Y248-S278 WeakPolarHBondContact CD1-OG 3.36Å; F274-S278 WeakPolarHBondContact O-CB 3.43Å; F274-S278 PolarHBondContact O-N 3.34Å; F274-S278 PolarHBondContact O-OG 2.73Å; K275-S278 PolarHBondContact O-N 3.43Å; H276-S278 VanDerWaalsContact C-N 3.29Å; H276-S278 PolarHBondContact O-N 3.05Å; S278-Y281 PolarHBondContact O-N 2.82Å; S278-A282 WeakPolarHBondContact O-CB 3.35Å; S278-A282 PolarHBondContact O-N 3.06Å
279	L	98.8	Very high	98.5	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.141	16%	0.16	C	C	.	.	H	α-helix	trans	-67.3	-34.8	175.5	-72.2	167.7	0	0	0	112.3	K275 H276 Y281 A282 R283 N303 I305	K275-L279 WeakPolarHBondContact O-CB 3.35Å; K275-L279 VanDerWaalsContact O-CG 3.23Å; K275-L279 WeakPolarHBondContact O-CG 3.3Å; K275-L279 PolarHBondContact O-N 3.03Å; H276-L279 CarbonylContact O-C 3.44Å; H276-L279 PolarHBondContact O-N 3.23Å; H276-L279 VanDerWaalsContact O-N 3.11Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.42Å; L279-A282 PolarHBondContact O-N 3.43Å; L279-R283 WeakPolarHBondContact O-CB 3.23Å; L279-R283 WeakPolarHBondContact O-CD 3.33Å; L279-R283 WeakPolarHBondContact O-CG 3.11Å; L279-R283 PolarHBondContact O-N 2.81Å; L279-N303 HydrophobicContact CD2-CB 3.67Å; L279-I305 HydrophobicContact CD1-CD1 4.47Å; L279-I305 HydrophobicContact CD2-CD1 4.02Å; L279-I305 HydrophobicContact CD2-CG1 4.32Å; L279-I305 HydrophobicContact CD2-CG2 3.89Å; L279-I305 HydrophobicContact CG-CD1 4.01Å; L279-I305 HydrophobicContact CG-CG2 4.12Å
280	V	98.6	Very high	98.5	Very high	18 Å²	18	37.5 Å²	37.5	11%	0.109	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-44.1	173.4	168.7	0	0	0	0	110.1	H276 L277 N284 K359 E363	H276-V280 WeakPolarHBondContact O-CG2 3.35Å; H276-V280 PolarHBondContact O-N 3.44Å; L277-V280 PolarHBondContact O-N 2.68Å; V280-N284 PolarHBondContact O-N 3.01Å; V280-N284 PolarHBondContact O-ND2 2.92Å; V280-K359 HydrophobicContact CG1-CB 4.28Å; V280-E363 HydrophobicContact CB-CG 4.41Å; V280-E363 HydrophobicContact CG1-CG 4Å; V280-E363 HydrophobicContact CG2-CG 4.12Å
281	Y	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-54.9	174.6	-158.5	-84.2	0	0	0	112	L277 S278 L279 R283 N284 H285 M288 L333 I335 N353 L357 F360	L277-Y281 PolarHBondContact O-N 2.86Å; S278-Y281 PolarHBondContact O-N 2.82Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.42Å; Y281-R283 VanDerWaalsContact C-N 3.32Å; Y281-R283 PolarHBondContact O-N 2.75Å; Y281-N284 PolarHBondContact O-N 3.14Å; Y281-H285 PolarHBondContact O-N 3.45Å; Y281-M288 HydrophobicContact CD1-CE 4.11Å; Y281-M288 HydrophobicContact CD1-SD 4.07Å; Y281-M288 HydrophobicContact CE1-CE 4.08Å; Y281-L333 HydrophobicContact CD1-CD2 3.72Å; Y281-L333 HydrophobicContact CD2-CD1 3.83Å; Y281-L333 HydrophobicContact CD2-CD2 3.8Å; Y281-L333 HydrophobicContact CD2-CG 4.47Å; Y281-L333 HydrophobicContact CE1-CD2 4.1Å; Y281-L333 HydrophobicContact CE2-CD1 3.56Å; Y281-L333 HydrophobicContact CE2-CD2 4.18Å; Y281-L333 HydrophobicContact CE2-CG 4.45Å; Y281-L333 HydrophobicContact CG-CD1 4.43Å; Y281-L333 HydrophobicContact CG-CD2 3.56Å; Y281-I335 HydrophobicContact CE1-CG2 4.01Å; Y281-N353 PolarHBondContact OH-OD1 3.21Å; Y281-L357 HydrophobicContact CE2-CD2 3.97Å; Y281-L357 HydrophobicContact CE2-CG 4.24Å; Y281-L357 WeakPolarHBondContact OH-CD2 3.44Å; Y281-F360 HydrophobicContact CD2-CB 3.96Å; Y281-F360 HydrophobicContact CD2-CD2 4.49Å; Y281-F360 HydrophobicContact CD2-CG 4.31Å
282	A	98.8	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-32.2	-171.7	0	0	0	0	0	114	S278 L279 M288 S289 N303 I305	S278-A282 WeakPolarHBondContact O-CB 3.35Å; S278-A282 PolarHBondContact O-N 3.06Å; L279-A282 PolarHBondContact O-N 3.43Å; A282-M288 HydrophobicContact CB-CB 4.31Å; A282-M288 HydrophobicContact CB-CG 3.89Å; A282-M288 HydrophobicContact CB-SD 3.77Å; A282-S289 WeakPolarHBondContact O-CB 3.44Å; A282-S289 PolarHBondContact O-N 2.96Å; A282-S289 PolarHBondContact O-OG 3.33Å; A282-N303 WeakPolarHBondContact CB-O 3.43Å; A282-I305 HydrophobicContact CB-CG2 3.98Å
283	R	98.7	Very high	97.8	Very high	153 Å²	153	40.4 Å²	40.4	58%	0.577	20%	0.203	S	C	*	.	H	α-helix	trans	-78.7	-29.8	177.6	-68.1	172.1	173.1	166.3	-2.2	113.6	L279 Y281	L279-R283 WeakPolarHBondContact O-CB 3.23Å; L279-R283 WeakPolarHBondContact O-CD 3.33Å; L279-R283 WeakPolarHBondContact O-CG 3.11Å; L279-R283 PolarHBondContact O-N 2.81Å; Y281-R283 VanDerWaalsContact C-N 3.32Å; Y281-R283 PolarHBondContact O-N 2.75Å
284	N	98.6	Very high	97.5	Very high	52 Å²	52	42.4 Å²	42.4	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-82.3	-21.8	173.5	-75	-79.2	0	0	0	112.1	V280 Y281 L355 S356	V280-N284 PolarHBondContact O-N 3.01Å; V280-N284 PolarHBondContact O-ND2 2.92Å; Y281-N284 PolarHBondContact O-N 3.14Å; N284-L355 HydrophobicContact CB-CD2 4.32Å; N284-L355 HydrophobicContact CB-CG 4.12Å; N284-L355 WeakPolarHBondContact OD1-CD2 3.42Å; N284-S356 VanDerWaalsContact C-OG 3.28Å
285	H	98.8	Very high	97.1	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.019	24%	0.236	C	C	.	.	S	Bend	trans	-74	127.7	174	-174.2	-87.8	0	0	0	111.3	Y281 K287 M288 D352 N353 S356	Y281-H285 PolarHBondContact O-N 3.45Å; H285-K287 PolarHBondContact ND1-N 3.45Å; H285-K287 PolarHBondContact O-N 2.72Å; H285-M288 HydrophobicContact CB-CB 3.76Å; H285-M288 WeakPolarHBondContact ND1-CB 3.34Å; H285-M288 PolarHBondContact ND1-N 3.19Å; H285-M288 VanDerWaalsContact ND1-N 3.11Å; H285-M288 PolarHBondContact O-N 3.09Å; H285-D352 WeakPolarHBondContact CA-O 3.31Å; H285-D352 PolarHBondContact CD2-O 3.2Å; H285-N353 VanDerWaalsContact CD2-CG 3.42Å; H285-N353 PolarHBondContact CD2-OD1 2.68Å; H285-N353 PolarHBondContact NE2-ND2 2.76Å; H285-N353 PolarHBondContact NE2-OD1 3.27Å; H285-S356 WeakPolarHBondContact CA-OG 3.43Å; H285-S356 WeakPolarHBondContact CB-OG 3.2Å; H285-S356 PolarHBondContact N-OG 2.96Å
286	A	97.9	Very high	96.4	Very high	45 Å²	45	50.4 Å²	50.4	37%	0.372	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.5	-169.2	0	0	0	0	0	115.7	R290 D352	A286-R290 PolarHBondContact O-NE 3.27Å; A286-R290 PolarHBondContact O-NH2 2.99Å; A286-D352 HydrophobicContact CB-CB 4.12Å; A286-D352 WeakPolarHBondContact CB-OD1 3.27Å; A286-D352 PolarHBondContact N-O 3Å
287	K	97.3	Very high	95.5	Very high	85 Å²	85	53.4 Å²	53.4	37%	0.37	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-15.9	-175.2	-61.3	167.7	-172.6	155.7	0	116	L244 H285 R290 D352	L244-K287 HydrophobicContact CD2-CB 4.14Å; H285-K287 PolarHBondContact ND1-N 3.45Å; H285-K287 PolarHBondContact O-N 2.72Å; K287-R290 WeakPolarHBondContact O-CB 3.48Å; K287-R290 WeakPolarHBondContact O-CG 3.27Å; K287-R290 PolarHBondContact O-N 3.32Å; K287-D352 WeakPolarHBondContact CD-OD2 3.23Å; K287-D352 WeakPolarHBondContact CE-OD2 3.47Å; K287-D352 IonicContact NZ-OD2 2.7Å; K287-D352 PolarHBondContact NZ-OD2 2.95Å
288	M	98.5	Very high	94.8	Very high	1 Å²	1	56 Å²	56	1%	0.005	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-74.1	-46.9	-163.6	-176.1	-178.5	-73.5	0	0	111.1	L244 A246 Y281 A282 H285 R290 G291 G304 E334 I335	L244-M288 HydrophobicContact CD1-CE 3.9Å; L244-M288 HydrophobicContact CG-CB 4.25Å; L244-M288 HydrophobicContact CG-CE 4.42Å; L244-M288 HydrophobicContact CG-CG 4.3Å; A246-M288 HydrophobicContact CB-SD 4.08Å; A246-M288 PolarHBondContact N-SD 3.3Å; A246-M288 VanDerWaalsContact N-SD 3.41Å; Y281-M288 HydrophobicContact CD1-CE 4.11Å; Y281-M288 HydrophobicContact CD1-SD 4.07Å; Y281-M288 HydrophobicContact CE1-CE 4.08Å; A282-M288 HydrophobicContact CB-CB 4.31Å; A282-M288 HydrophobicContact CB-CG 3.89Å; A282-M288 HydrophobicContact CB-SD 3.77Å; H285-M288 HydrophobicContact CB-CB 3.76Å; H285-M288 WeakPolarHBondContact ND1-CB 3.34Å; H285-M288 PolarHBondContact ND1-N 3.19Å; H285-M288 VanDerWaalsContact ND1-N 3.11Å; H285-M288 PolarHBondContact O-N 3.09Å; M288-R290 PolarHBondContact O-N 3.1Å; M288-G291 PolarHBondContact O-N 3.38Å; M288-G304 WeakPolarHBondContact O-CA 3.38Å; M288-E334 VanDerWaalsContact CE-O 3.3Å; M288-E334 WeakPolarHBondContact CE-O 3.4Å; M288-I335 HydrophobicContact CE-CG2 4.49Å
289	S	97.6	Very high	94.2	Very high	43 Å²	43	59.1 Å²	59.1	30%	0.301	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-53.9	-16.8	174.2	41.9	0	0	0	0	115.8	A282 G291 N303	A282-S289 WeakPolarHBondContact O-CB 3.44Å; A282-S289 PolarHBondContact O-N 2.96Å; A282-S289 PolarHBondContact O-OG 3.33Å; S289-G291 PolarHBondContact O-N 2.87Å; S289-N303 WeakPolarHBondContact CA-O 3.3Å
290	R	97.2	Very high	93.9	Very high	170 Å²	170	61.2 Å²	61.2	64%	0.642	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-71.9	-16.4	174.3	-50.4	179.9	-164.9	-168.7	6.1	112.8	A286 K287 M288 V292	A286-R290 PolarHBondContact O-NE 3.27Å; A286-R290 PolarHBondContact O-NH2 2.99Å; K287-R290 WeakPolarHBondContact O-CB 3.48Å; K287-R290 WeakPolarHBondContact O-CG 3.27Å; K287-R290 PolarHBondContact O-N 3.32Å; M288-R290 PolarHBondContact O-N 3.1Å; R290-V292 HydrophobicContact CB-CG2 4.07Å; R290-V292 PolarHBondContact O-N 3.11Å; R290-V292 VanDerWaalsContact O-N 3.1Å
291	G	95.6	Very high	93.8	Very high	10 Å²	10	61.2 Å²	61.2	10%	0.103	36%	0.357	C	S	.	.			trans	66.8	7.3	176.7	0	0	0	0	0	116.6	M288 S289 A293 A300 F301	M288-G291 PolarHBondContact O-N 3.38Å; S289-G291 PolarHBondContact O-N 2.87Å; G291-A293 PolarHBondContact O-N 3Å; G291-A300 WeakPolarHBondContact O-CA 3.47Å; G291-A300 WeakPolarHBondContact O-CB 3.48Å; G291-F301 WeakPolarHBondContact CA-O 3.46Å; G291-F301 PolarHBondContact O-N 2.77Å; G291-F301 VanDerWaalsContact O-N 3.11Å
292	V	94.3	Very high	93.6	Very high	105 Å²	105	68.8 Å²	68.8	64%	0.636	39%	0.392	S	S	*	.			trans	-65	119.9	-176.4	-179.3	0	0	0	0	110	R290	R290-V292 HydrophobicContact CB-CG2 4.07Å; R290-V292 PolarHBondContact O-N 3.11Å; R290-V292 VanDerWaalsContact O-N 3.1Å
293	A	91.4	Very high	93.5	Very high	29 Å²	29	72 Å²	72	24%	0.24	41%	0.409	C	S	.	.			trans	-59.8	138.2	176.9	0	0	0	0	0	111.6	G291 K295 T298 P299 A300	G291-A293 PolarHBondContact O-N 3Å; A293-K295 PolarHBondContact O-N 3.26Å; A293-T298 WeakPolarHBondContact CB-O 3.31Å; A293-P299 WeakPolarHBondContact CB-O 3.49Å; A293-A300 HydrophobicContact CB-CB 4.31Å
294	C	92.7	Very high	93.5	Very high	41 Å²	41	64.7 Å²	64.7	28%	0.277	38%	0.382	S	S	.	.	S	Bend	trans	-60.5	-27.2	177.7	-68.9	0	0	0	0	113.5	C337	C294-C337 VanDerWaalsContact CA-SG 3.55Å; C294-C337 HydrophobicContact CB-CB 3.54Å; C294-C337 WeakPolarHBondContact CB-SG 3.44Å; C294-C337 WeakPolarHBondContact SG-CA 3.06Å; C294-C337 WeakPolarHBondContact SG-CB 3.33Å; C294-C337 CovalentContact SG-SG 2.04Å; C294-C337 PolarHBondContact SG-SG 3.19Å
295	K	89.8	Confident	93.5	Very high	95 Å²	95	63.4 Å²	63.4	41%	0.413	38%	0.375	S	S	.	.	S	Bend	trans	-145	153.1	179.6	-60.4	-176.3	173.5	-172.2	0	110.4	D189 A293 A297 T298	D189-K295 IonicContact OD1-NZ 3.74Å; D189-K295 PolarHBondContact OD1-NZ 2.98Å; D189-K295 IonicContact OD2-NZ 2.83Å; D189-K295 PolarHBondContact OD2-NZ 2.97Å; A293-K295 PolarHBondContact O-N 3.26Å; K295-A297 PolarHBondContact O-N 3.46Å; K295-T298 HydrophobicContact CB-CG2 4.16Å; K295-T298 PolarHBondContact N-OG1 3.21Å; K295-T298 PolarHBondContact O-N 2.81Å; K295-T298 PolarHBondContact O-OG1 2.92Å
296	S	84.1	Confident	93.5	Very high	141 Å²	141	64.1 Å²	64.1	99%	0.986	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.2	178.4	-44.4	0	0	0	0	114.9
297	A	81.2	Confident	93.5	Very high	103 Å²	103	62.1 Å²	62.1	85%	0.851	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	4.4	177.6	0	0	0	0	0	113.7	K295	K295-A297 PolarHBondContact O-N 3.46Å
298	T	83.6	Confident	93.5	Very high	55 Å²	55	58.2 Å²	58.2	34%	0.337	35%	0.346	S	S	.	.	S	Bend	trans	-102.4	151.3	172.4	49.9	0	0	0	0	110.3	A293 K295	A293-T298 WeakPolarHBondContact CB-O 3.31Å; K295-T298 HydrophobicContact CB-CG2 4.16Å; K295-T298 PolarHBondContact N-OG1 3.21Å; K295-T298 PolarHBondContact O-N 2.81Å; K295-T298 PolarHBondContact O-OG1 2.92Å
299	P	86.3	Confident	93.3	Very high	64 Å²	64	58.2 Å²	58.2	42%	0.416	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-60.7	146.6	175.9	25.4	-34.4	0	0	0	112.1	A293 F301	A293-P299 WeakPolarHBondContact CB-O 3.49Å; P299-F301 HydrophobicContact CB-CE1 4.31Å; P299-F301 HydrophobicContact CB-CZ 4.44Å; P299-F301 HydrophobicContact CG-CE1 3.91Å; P299-F301 HydrophobicContact CG-CE2 4.46Å; P299-F301 HydrophobicContact CG-CZ 3.72Å
300	A	92	Very high	93.1	Very high	72 Å²	72	57.2 Å²	57.2	60%	0.595	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-83.1	146.9	161.4	0	0	0	0	0	109	G291 A293	G291-A300 WeakPolarHBondContact O-CA 3.47Å; G291-A300 WeakPolarHBondContact O-CB 3.48Å; A293-A300 HydrophobicContact CB-CB 4.31Å
301	F	95.8	Very high	93	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.075	32%	0.322	C	S	.	.			trans	-117.7	106.2	-175.4	-59.9	-70.4	0	0	0	110.1	A243 V245 G291 P299 N303 G304 T306 W311	A243-F301 HydrophobicContact CB-CE2 4.45Å; V245-F301 HydrophobicContact CB-CB 4.32Å; V245-F301 HydrophobicContact CB-CD1 4.46Å; V245-F301 HydrophobicContact CB-CD2 3.59Å; V245-F301 HydrophobicContact CB-CE2 3.89Å; V245-F301 HydrophobicContact CB-CG 3.89Å; V245-F301 HydrophobicContact CB-CZ 4.43Å; V245-F301 HydrophobicContact CG1-CD2 4.08Å; V245-F301 HydrophobicContact CG1-CE2 3.83Å; V245-F301 HydrophobicContact CG1-CZ 4.06Å; V245-F301 HydrophobicContact CG2-CB 3.75Å; V245-F301 HydrophobicContact CG2-CD1 3.9Å; V245-F301 HydrophobicContact CG2-CD2 3.84Å; V245-F301 HydrophobicContact CG2-CE1 4.4Å; V245-F301 HydrophobicContact CG2-CE2 4.35Å; V245-F301 HydrophobicContact CG2-CG 3.56Å; G291-F301 WeakPolarHBondContact CA-O 3.46Å; G291-F301 PolarHBondContact O-N 2.77Å; G291-F301 VanDerWaalsContact O-N 3.11Å; P299-F301 HydrophobicContact CB-CE1 4.31Å; P299-F301 HydrophobicContact CB-CZ 4.44Å; P299-F301 HydrophobicContact CG-CE1 3.91Å; P299-F301 HydrophobicContact CG-CE2 4.46Å; P299-F301 HydrophobicContact CG-CZ 3.72Å; F301-N303 PolarHBondContact O-N 2.97Å; F301-G304 WeakPolarHBondContact O-CA 3.39Å; F301-G304 PolarHBondContact O-N 3.34Å; F301-T306 HydrophobicContact CD1-CG2 4.04Å; F301-T306 HydrophobicContact CE1-CG2 3.92Å; F301-W311 HydrophobicContact CE1-CB 4.44Å; F301-W311 AromaticContact CE1-CD1 3.9Å; F301-W311 HydrophobicContact CE1-CD2 4.06Å; F301-W311 AromaticContact CE1-CG 3.89Å; F301-W311 HydrophobicContact CE1-CG 3.89Å; F301-W311 AromaticContact CZ-CD1 3.95Å; F301-W311 AromaticContact CZ-CD2 3.9Å; F301-W311 HydrophobicContact CZ-CD2 3.9Å; F301-W311 AromaticContact CZ-CE2 3.64Å; F301-W311 HydrophobicContact CZ-CG 4.12Å; F301-W311 HydrophobicContact CZ-CZ2 4.1Å; F301-W311 AromaticContact CZ-NE1 3.67Å
302	E	95.6	Very high	92.7	Very high	159 Å²	159	55.7 Å²	55.7	74%	0.743	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58.2	132.9	-175.9	-154.2	-157.3	122.4	0	0	111.2	G304 I305	E302-G304 PolarHBondContact O-N 3.1Å; E302-I305 PolarHBondContact O-N 2.74Å
303	N	97.6	Very high	92.6	Very high	68 Å²	68	53.4 Å²	53.4	36%	0.364	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	56.2	14.5	-173.7	-52.4	-84	0	0	0	115	L279 A282 S289 F301	L279-N303 HydrophobicContact CD2-CB 3.67Å; A282-N303 WeakPolarHBondContact CB-O 3.43Å; S289-N303 WeakPolarHBondContact CA-O 3.3Å; F301-N303 PolarHBondContact O-N 2.97Å
304	G	98.1	Very high	92.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	75.2	19.4	179.9	0	0	0	0	0	115.2	A246 M288 F301 E302	A246-G304 PolarHBondContact N-O 1.75Å; M288-G304 WeakPolarHBondContact O-CA 3.38Å; F301-G304 WeakPolarHBondContact O-CA 3.39Å; F301-G304 PolarHBondContact O-N 3.34Å; E302-G304 PolarHBondContact O-N 3.1Å
305	I	98.6	Very high	92.7	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.128	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.1	-177.8	67.4	162.1	0	0	0	112.4	A246 Y248 K275 L279 A282 E302	A246-I305 HydrophobicContact CB-CG2 4.39Å; A246-I305 VanDerWaalsContact O-CA 3.27Å; A246-I305 WeakPolarHBondContact O-CA 3.41Å; Y248-I305 HydrophobicContact CE1-CB 4.16Å; Y248-I305 HydrophobicContact CE1-CD1 4Å; Y248-I305 HydrophobicContact CE1-CG1 4.34Å; K275-I305 HydrophobicContact CG-CD1 4.35Å; L279-I305 HydrophobicContact CD1-CD1 4.47Å; L279-I305 HydrophobicContact CD2-CD1 4.02Å; L279-I305 HydrophobicContact CD2-CG1 4.32Å; L279-I305 HydrophobicContact CD2-CG2 3.89Å; L279-I305 HydrophobicContact CG-CD1 4.01Å; L279-I305 HydrophobicContact CG-CG2 4.12Å; A282-I305 HydrophobicContact CB-CG2 3.98Å; E302-I305 PolarHBondContact O-N 2.74Å
306	T	98.2	Very high	93	Very high	19 Å²	19	47.7 Å²	47.7	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.7	170.4	-164.6	0	0	0	0	113.3	V245 A246 S247 Y248 F301 W311	V245-T306 HydrophobicContact CG1-CG2 4.37Å; V245-T306 HydrophobicContact CG2-CG2 3.69Å; A246-T306 PolarHBondContact O-N 2.91Å; S247-T306 CarbonylContact C-O 3.53Å; S247-T306 WeakPolarHBondContact CA-O 3.47Å; S247-T306 WeakPolarHBondContact OG-CG2 3.24Å; S247-T306 PolarHBondContact OG-O 2.77Å; Y248-T306 WeakPolarHBondContact CD1-O 3.24Å; Y248-T306 VanDerWaalsContact CE1-O 3.23Å; Y248-T306 WeakPolarHBondContact CE1-O 3.24Å; Y248-T306 PolarHBondContact N-O 3Å; F301-T306 HydrophobicContact CD1-CG2 4.04Å; F301-T306 HydrophobicContact CE1-CG2 3.92Å; T306-W311 HydrophobicContact CG2-CB 3.88Å; T306-W311 HydrophobicContact CG2-CD2 4.28Å; T306-W311 HydrophobicContact CG2-CE3 3.94Å; T306-W311 HydrophobicContact CG2-CG 4.3Å
307	N	98.3	Very high	93.7	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.7	164.5	171.2	-102.5	0	0	0	108.7	Y248 P249 Y250 P265 S266 A309 A310 W311	Y248-N307 HydrophobicContact CD2-CB 4.41Å; Y248-N307 HydrophobicContact CE2-CB 3.77Å; Y248-N307 WeakPolarHBondContact O-CA 3.33Å; P249-N307 VanDerWaalsContact C-ND2 3.28Å; P249-N307 PolarHBondContact O-ND2 3.12Å; Y250-N307 PolarHBondContact N-ND2 2.7Å; Y250-N307 PolarHBondContact O-ND2 3.14Å; P265-N307 WeakPolarHBondContact CA-OD1 3.22Å; P265-N307 HydrophobicContact CB-CB 3.97Å; S266-N307 PolarHBondContact N-OD1 2.92Å; S266-N307 PolarHBondContact O-ND2 3.36Å; N307-A309 PolarHBondContact OD1-N 2.82Å; N307-A310 HydrophobicContact CB-CB 3.96Å; N307-A310 WeakPolarHBondContact O-CB 3.49Å; N307-A310 PolarHBondContact O-N 2.88Å; N307-A310 PolarHBondContact OD1-N 2.77Å; N307-A310 VanDerWaalsContact OD1-N 3.11Å; N307-W311 PolarHBondContact O-N 2.5Å; N307-W311 VanDerWaalsContact O-N 3.09Å
308	G	97.1	Very high	94.5	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-56.2	-55	-175.1	0	0	0	0	0	112.2	S247 Y248 A310 W311 Y312	S247-G308 WeakPolarHBondContact OG-CA 3.15Å; Y248-G308 PolarHBondContact O-N 3.2Å; G308-A310 VanDerWaalsContact C-N 3.29Å; G308-A310 PolarHBondContact O-N 3.29Å; G308-W311 PolarHBondContact O-N 2.77Å; G308-Y312 CarbonylContact O-C 3.49Å; G308-Y312 PolarHBondContact O-N 3.4Å; G308-Y312 VanDerWaalsContact O-O 3.08Å
309	A	94.9	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-31.6	178.6	0	0	0	0	0	114.2	Y250 D251 T253 N307 W311 P313	Y250-A309 WeakPolarHBondContact O-CB 3.42Å; Y250-A309 PolarHBondContact O-N 3.27Å; D251-A309 WeakPolarHBondContact O-CA 3.47Å; D251-A309 PolarHBondContact O-N 3.46Å; T253-A309 HydrophobicContact CG2-CB 3.76Å; N307-A309 PolarHBondContact OD1-N 2.82Å; A309-W311 VanDerWaalsContact C-N 3.35Å; A309-P313 WeakPolarHBondContact O-CD 3.48Å
310	A	93.8	Very high	95.8	Very high	23 Å²	23	30.8 Å²	30.8	19%	0.19	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-33.6	173.4	0	0	0	0	0	112.6	A263 P265 N307 G308	A263-A310 WeakPolarHBondContact CB-O 3.49Å; P265-A310 HydrophobicContact CB-CB 4.1Å; N307-A310 HydrophobicContact CB-CB 3.96Å; N307-A310 WeakPolarHBondContact O-CB 3.49Å; N307-A310 PolarHBondContact O-N 2.88Å; N307-A310 PolarHBondContact OD1-N 2.77Å; N307-A310 VanDerWaalsContact OD1-N 3.11Å; G308-A310 VanDerWaalsContact C-N 3.29Å; G308-A310 PolarHBondContact O-N 3.29Å
311	W	94.1	Very high	96.1	Very high	65 Å²	65	28 Å²	28	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-76.9	-55	175.8	179	21.3	0	0	0	111	A243 V245 F301 T306 N307 G308 A309 E334	A243-W311 HydrophobicContact CB-CH2 3.68Å; A243-W311 HydrophobicContact CB-CZ2 3.86Å; V245-W311 HydrophobicContact CG1-CE3 4.42Å; V245-W311 HydrophobicContact CG1-CH2 4.3Å; V245-W311 HydrophobicContact CG1-CZ3 4.02Å; F301-W311 HydrophobicContact CE1-CB 4.44Å; F301-W311 AromaticContact CE1-CD1 3.9Å; F301-W311 HydrophobicContact CE1-CD2 4.06Å; F301-W311 AromaticContact CE1-CG 3.89Å; F301-W311 HydrophobicContact CE1-CG 3.89Å; F301-W311 AromaticContact CZ-CD1 3.95Å; F301-W311 AromaticContact CZ-CD2 3.9Å; F301-W311 HydrophobicContact CZ-CD2 3.9Å; F301-W311 AromaticContact CZ-CE2 3.64Å; F301-W311 HydrophobicContact CZ-CG 4.12Å; F301-W311 HydrophobicContact CZ-CZ2 4.1Å; F301-W311 AromaticContact CZ-NE1 3.67Å; T306-W311 HydrophobicContact CG2-CB 3.88Å; T306-W311 HydrophobicContact CG2-CD2 4.28Å; T306-W311 HydrophobicContact CG2-CE3 3.94Å; T306-W311 HydrophobicContact CG2-CG 4.3Å; N307-W311 PolarHBondContact O-N 2.5Å; N307-W311 VanDerWaalsContact O-N 3.09Å; G308-W311 PolarHBondContact O-N 2.77Å; A309-W311 VanDerWaalsContact C-N 3.35Å; W311-E334 HydrophobicContact CH2-CG 3.94Å; W311-E334 HydrophobicContact CZ3-CG 4.03Å
312	Y	89.4	Confident	96.3	Very high	82 Å²	82	27.1 Å²	27.1	32%	0.322	14%	0.138	S	C	.	.			trans	-163	133.7	165.4	60.7	-89.1	0	0	0	111	G308 L314	G308-Y312 CarbonylContact O-C 3.49Å; G308-Y312 PolarHBondContact O-N 3.4Å; G308-Y312 VanDerWaalsContact O-O 3.08Å; Y312-L314 HydrophobicContact CD2-CB 4.33Å; Y312-L314 HydrophobicContact CE2-CB 4.06Å; Y312-L314 HydrophobicContact CE2-CD1 3.96Å; Y312-L314 HydrophobicContact CE2-CG 4.31Å; Y312-L314 PolarHBondContact O-N 2.85Å
313	P	91.6	Very high	96.4	Very high	57 Å²	57	19.6 Å²	19.6	37%	0.37	10%	0.103	S	C	.	.			trans	-60.7	127.5	176.2	-27.7	36.7	0	0	0	113.8	D251 T253 A309	D251-P313 CarbonylContact O-C 3.53Å; D251-P313 WeakPolarHBondContact O-CA 3.48Å; T253-P313 HydrophobicContact CG2-CG 4.27Å; A309-P313 WeakPolarHBondContact O-CD 3.48Å
314	L	91.8	Very high	96.4	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	9%	0.094	C	C	.	.			trans	-127.9	100.6	-169.6	178.9	170.1	0	0	0	109.9	N203 R204 D251 N252 Y312 G317	N203-L314 WeakPolarHBondContact O-CD2 3.25Å; R204-L314 VanDerWaalsContact CZ-CG 3.48Å; D251-L314 HydrophobicContact CB-CB 3.98Å; D251-L314 HydrophobicContact CB-CD2 4.12Å; D251-L314 HydrophobicContact CB-CG 4.38Å; D251-L314 PolarHBondContact O-N 2.78Å; N252-L314 WeakPolarHBondContact CB-O 3.34Å; Y312-L314 HydrophobicContact CD2-CB 4.33Å; Y312-L314 HydrophobicContact CE2-CB 4.06Å; Y312-L314 HydrophobicContact CE2-CD1 3.96Å; Y312-L314 HydrophobicContact CE2-CG 4.31Å; Y312-L314 PolarHBondContact O-N 2.85Å; L314-G317 VanDerWaalsContact CD2-CA 3.46Å
315	T	94.6	Very high	96.3	Very high	40 Å²	40	23 Å²	23	25%	0.245	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	127.8	179.7	-58.1	0	0	0	0	112.6	R204 D208 K211 N252	R204-T315 WeakPolarHBondContact CD-O 3.41Å; D208-T315 HydrophobicContact CB-CG2 4.01Å; D208-T315 VanDerWaalsContact OD2-CA 3.25Å; D208-T315 WeakPolarHBondContact OD2-CA 3.38Å; D208-T315 WeakPolarHBondContact OD2-CG2 3.45Å; K211-T315 HydrophobicContact CB-CG2 4.48Å; N252-T315 PolarHBondContact ND2-OG1 2.88Å
316	G	96.6	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	36.3	172.1	0	0	0	0	0	115.2	R204 N205 F206 D208	R204-G316 CarbonylContact C-O 3.35Å; R204-G316 WeakPolarHBondContact CA-O 3.22Å; N205-G316 PolarHBondContact N-O 2.83Å; N205-G316 VanDerWaalsContact N-O 3.13Å; F206-G316 PolarHBondContact N-O 2.85Å; F206-G316 VanDerWaalsContact O-CA 3.26Å; F206-G316 WeakPolarHBondContact O-CA 3.42Å; D208-G316 PolarHBondContact OD2-N 3.27Å
317	G	97.9	Very high	96.2	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.117	C	C	.	.			trans	-75.8	155.1	176.2	0	0	0	0	0	113.9	N203 L314 Q319 Y321	N203-G317 WeakPolarHBondContact OD1-CA 3.49Å; L314-G317 VanDerWaalsContact CD2-CA 3.46Å; G317-Q319 VanDerWaalsContact C-N 3.32Å; G317-Y321 PolarHBondContact O-N 2.89Å
318	M	98.8	Very high	96.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.6	-34.6	176	-169.3	171.2	70.4	0	0	112.1	V129 I132 M175 N203 F206 V224 S238 Y321 N322 E330	V129-M318 HydrophobicContact CB-CE 3.85Å; V129-M318 HydrophobicContact CG1-CE 3.86Å; V129-M318 HydrophobicContact CG1-SD 4.4Å; V129-M318 HydrophobicContact CG2-CE 4.14Å; I132-M318 HydrophobicContact CD1-CB 4.39Å; I132-M318 HydrophobicContact CD1-CE 4.37Å; I132-M318 HydrophobicContact CD1-SD 4.06Å; M175-M318 HydrophobicContact SD-SD 3.91Å; N203-M318 PolarHBondContact OD1-N 3.38Å; F206-M318 HydrophobicContact CD2-CB 3.84Å; F206-M318 HydrophobicContact CD2-CG 4.35Å; F206-M318 HydrophobicContact CE1-CB 4.48Å; F206-M318 HydrophobicContact CE1-CG 3.97Å; F206-M318 HydrophobicContact CE2-CB 3.51Å; F206-M318 HydrophobicContact CE2-CG 3.7Å; F206-M318 HydrophobicContact CE2-SD 4.13Å; F206-M318 HydrophobicContact CG-CB 4.46Å; F206-M318 HydrophobicContact CZ-CB 3.87Å; F206-M318 HydrophobicContact CZ-CG 3.47Å; F206-M318 VanDerWaalsContact CZ-CG 3.47Å; F206-M318 HydrophobicContact CZ-SD 3.79Å; V224-M318 HydrophobicContact CG1-SD 3.94Å; S238-M318 WeakPolarHBondContact OG-CE 3.4Å; M318-Y321 WeakPolarHBondContact O-CB 3.44Å; M318-Y321 PolarHBondContact O-N 2.74Å; M318-N322 PolarHBondContact O-N 2.75Å; M318-N322 PolarHBondContact O-ND2 2.96Å; M318-E330 VanDerWaalsContact C-OE1 3.3Å; M318-E330 WeakPolarHBondContact CE-OE1 3.46Å; M318-E330 WeakPolarHBondContact CG-OE1 3.45Å
319	Q	98.7	Very high	96.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-56.6	-175.9	-171.9	-161.6	-103	0	0	112	S247 P249 D251 G317 Y321 N322 Y323 E330 T332	S247-Q319 PolarHBondContact O-OE1 3.37Å; S247-Q319 VanDerWaalsContact O-OE1 3.11Å; P249-Q319 HydrophobicContact CG-CG 3.83Å; D251-Q319 PolarHBondContact OD1-NE2 2.66Å; D251-Q319 PolarHBondContact OD2-NE2 3.37Å; G317-Q319 VanDerWaalsContact C-N 3.32Å; Q319-Y321 PolarHBondContact O-N 3.4Å; Q319-N322 PolarHBondContact O-N 3.33Å; Q319-Y323 PolarHBondContact O-N 3.09Å; Q319-E330 VanDerWaalsContact CA-OE1 3.32Å; Q319-E330 WeakPolarHBondContact CA-OE1 3.43Å; Q319-E330 HydrophobicContact CB-CG 4.44Å; Q319-E330 HydrophobicContact CG-CB 4.21Å; Q319-E330 HydrophobicContact CG-CG 4.26Å; Q319-E330 VanDerWaalsContact CG-O 3.26Å; Q319-E330 WeakPolarHBondContact CG-O 3.38Å; Q319-E330 PolarHBondContact N-OE1 3.13Å; Q319-T332 VanDerWaalsContact OE1-CB 3.26Å; Q319-T332 PolarHBondContact OE1-OG1 3.36Å
320	D	98.5	Very high	96.5	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-33.3	176.6	-76.1	14.9	0	0	0	111.8	Y250 D251 Y323 V324	Y250-D320 WeakPolarHBondContact CA-OD1 3.13Å; D251-D320 VanDerWaalsContact N-CG 3.3Å; D251-D320 PolarHBondContact N-OD1 3.05Å; D251-D320 PolarHBondContact N-OD2 3.38Å; D320-Y323 PolarHBondContact O-N 3.22Å; D320-V324 WeakPolarHBondContact O-CB 3.48Å; D320-V324 WeakPolarHBondContact O-CG2 3.34Å; D320-V324 PolarHBondContact O-N 2.84Å
321	Y	98.6	Very high	96.7	Very high	13 Å²	13	22.8 Å²	22.8	5%	0.051	11%	0.106	C	C	.	.	H	α-helix	trans	-64.3	-44.8	178	178.1	-100.8	0	0	0	112.9	F206 P207 K225 I228 G317 M318 Q319 Y323 W325 Y326	F206-Y321 HydrophobicContact CB-CG 4.17Å; F206-Y321 AromaticContact CD1-CD1 3.52Å; F206-Y321 HydrophobicContact CD1-CD1 3.52Å; F206-Y321 HydrophobicContact CD1-CD2 4.44Å; F206-Y321 HydrophobicContact CD1-CE1 4.08Å; F206-Y321 AromaticContact CD1-CG 3.72Å; F206-Y321 HydrophobicContact CD1-CG 3.72Å; F206-Y321 AromaticContact CE1-CD1 3.99Å; F206-Y321 HydrophobicContact CE1-CD1 3.99Å; F206-Y321 HydrophobicContact CE1-CE1 4.4Å; F206-Y321 HydrophobicContact CG-CG 4.33Å; P207-Y321 HydrophobicContact CB-CD2 4.05Å; P207-Y321 HydrophobicContact CB-CE2 4.17Å; P207-Y321 HydrophobicContact CG-CD2 4Å; P207-Y321 HydrophobicContact CG-CE2 3.76Å; K225-Y321 HydrophobicContact CB-CE1 4.28Å; K225-Y321 HydrophobicContact CD-CE1 4.47Å; K225-Y321 HydrophobicContact CG-CD1 4.46Å; K225-Y321 HydrophobicContact CG-CE1 3.65Å; I228-Y321 HydrophobicContact CD1-CD1 4.42Å; I228-Y321 HydrophobicContact CD1-CE1 4.39Å; G317-Y321 PolarHBondContact O-N 2.89Å; M318-Y321 WeakPolarHBondContact O-CB 3.44Å; M318-Y321 PolarHBondContact O-N 2.74Å; Q319-Y321 PolarHBondContact O-N 3.4Å; Y321-Y323 VanDerWaalsContact C-N 3.35Å; Y321-Y323 PolarHBondContact O-N 3.03Å; Y321-W325 HydrophobicContact CD2-CB 4.48Å; Y321-W325 AromaticContact CD2-CD2 3.59Å; Y321-W325 HydrophobicContact CD2-CD2 3.59Å; Y321-W325 AromaticContact CD2-CE3 3.38Å; Y321-W325 HydrophobicContact CD2-CE3 3.38Å; Y321-W325 HydrophobicContact CD2-CG 4.08Å; Y321-W325 HydrophobicContact CD2-CH2 4.42Å; Y321-W325 AromaticContact CD2-CZ3 3.83Å; Y321-W325 HydrophobicContact CD2-CZ3 3.83Å; Y321-W325 HydrophobicContact CE2-CB 4.13Å; Y321-W325 AromaticContact CE2-CD2 3.63Å; Y321-W325 HydrophobicContact CE2-CD2 3.63Å; Y321-W325 AromaticContact CE2-CE3 3.95Å; Y321-W325 HydrophobicContact CE2-CE3 3.95Å; Y321-W325 AromaticContact CE2-CG 3.71Å; Y321-W325 HydrophobicContact CE2-CG 3.71Å; Y321-W325 HydrophobicContact CG-CE3 4.15Å; Y321-W325 PolarHBondContact O-N 2.65Å; Y321-Y326 HydrophobicContact CE1-CD2 4.47Å; Y321-Y326 AromaticContact CE1-CE2 3.86Å; Y321-Y326 HydrophobicContact CE1-CE2 3.86Å; Y321-Y326 AromaticContact CZ-CE2 3.78Å; Y321-Y326 PolarHBondContact OH-OH 3.5Å
322	N	98.7	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.7	-47.9	176.4	-87.6	-87.1	0	0	0	112.1	K127 I228 M318 Q319 Y326 G327 C328 E330	K127-N322 WeakPolarHBondContact CE-OD1 3.1Å; K127-N322 PolarHBondContact NZ-OD1 3.07Å; I228-N322 WeakPolarHBondContact CD1-OD1 3.22Å; M318-N322 PolarHBondContact O-N 2.75Å; M318-N322 PolarHBondContact O-ND2 2.96Å; Q319-N322 PolarHBondContact O-N 3.33Å; N322-Y326 PolarHBondContact O-N 2.84Å; N322-G327 PolarHBondContact O-N 2.82Å; N322-C328 CarbonylContact C-O 3.58Å; N322-C328 HydrophobicContact CB-CB 4.1Å; N322-C328 PolarHBondContact O-N 2.91Å; N322-C328 VanDerWaalsContact O-N 3.16Å; N322-E330 HydrophobicContact CB-CB 3.75Å; N322-E330 PolarHBondContact ND2-OE1 3.5Å; N322-E330 PolarHBondContact ND2-OE2 3.2Å
323	Y	98.6	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.1	-50.4	-176.7	174.1	-118.1	0	0	0	111.7	Y250 T268 P269 D270 F274 Q319 D320 Y321 G327 C328 V392	Y250-Y323 AromaticContact CE1-CD1 3.96Å; Y250-Y323 HydrophobicContact CE1-CD1 3.96Å; Y250-Y323 HydrophobicContact CE1-CE1 4.04Å; T268-Y323 HydrophobicContact CG2-CD1 3.93Å; T268-Y323 HydrophobicContact CG2-CE1 3.41Å; T268-Y323 VanDerWaalsContact CG2-CE1 3.41Å; P269-Y323 WeakPolarHBondContact CD-OH 3.18Å; D270-Y323 HydrophobicContact CB-CE2 4.31Å; D270-Y323 PolarHBondContact N-OH 3.14Å; D270-Y323 PolarHBondContact OD2-OH 3.36Å; F274-Y323 HydrophobicContact CE2-CD1 4.19Å; F274-Y323 AromaticContact CE2-CD2 3.67Å; F274-Y323 HydrophobicContact CE2-CD2 3.67Å; F274-Y323 HydrophobicContact CE2-CE1 4.12Å; F274-Y323 AromaticContact CE2-CE2 3.58Å; F274-Y323 HydrophobicContact CE2-CE2 3.58Å; F274-Y323 AromaticContact CE2-CG 3.97Å; F274-Y323 HydrophobicContact CE2-CG 3.97Å; F274-Y323 AromaticContact CE2-CZ 3.82Å; F274-Y323 HydrophobicContact CZ-CD1 4.36Å; F274-Y323 AromaticContact CZ-CD2 3.59Å; F274-Y323 HydrophobicContact CZ-CD2 3.59Å; F274-Y323 HydrophobicContact CZ-CE2 4Å; F274-Y323 AromaticContact CZ-CG 3.79Å; F274-Y323 HydrophobicContact CZ-CG 3.79Å; Q319-Y323 PolarHBondContact O-N 3.09Å; D320-Y323 PolarHBondContact O-N 3.22Å; Y321-Y323 VanDerWaalsContact C-N 3.35Å; Y321-Y323 PolarHBondContact O-N 3.03Å; Y323-G327 WeakPolarHBondContact O-CA 3.37Å; Y323-G327 PolarHBondContact O-N 3.21Å; Y323-C328 WeakPolarHBondContact CA-O 3.13Å; Y323-C328 PolarHBondContact N-O 3.47Å; Y323-V392 HydrophobicContact CD1-CG1 4.34Å; Y323-V392 HydrophobicContact CD1-CG2 4.3Å; Y323-V392 HydrophobicContact CD2-CG1 3.99Å; Y323-V392 HydrophobicContact CE1-CB 4.01Å; Y323-V392 HydrophobicContact CE1-CG1 4.11Å; Y323-V392 HydrophobicContact CE1-CG2 3.57Å; Y323-V392 HydrophobicContact CE2-CB 3.99Å; Y323-V392 HydrophobicContact CE2-CG1 3.75Å; Y323-V392 HydrophobicContact CE2-CG2 4.46Å; Y323-V392 HydrophobicContact CG-CG1 4.29Å; Y323-V392 WeakPolarHBondContact O-CG1 3.43Å
324	V	97.5	Very high	97.7	Very high	31 Å²	31	14 Å²	14	19%	0.188	7%	0.067	C	C	.	.	H	α-helix	trans	-71.2	-37.5	-172.1	170.5	0	0	0	0	113.5	Y209 Y250 D320	Y209-V324 HydrophobicContact CD1-CG2 4.2Å; Y209-V324 HydrophobicContact CD2-CG1 3.51Å; Y209-V324 HydrophobicContact CD2-CG2 4.4Å; Y209-V324 HydrophobicContact CE2-CG1 4.09Å; Y209-V324 HydrophobicContact CG-CG1 3.88Å; Y209-V324 HydrophobicContact CG-CG2 3.98Å; Y250-V324 HydrophobicContact CE1-CG2 3.66Å; D320-V324 WeakPolarHBondContact O-CB 3.48Å; D320-V324 WeakPolarHBondContact O-CG2 3.34Å; D320-V324 PolarHBondContact O-N 2.84Å
325	W	96.9	Very high	98	Very high	109 Å²	109	13.7 Å²	13.7	41%	0.413	7%	0.065	S	C	.	.	H	α-helix	trans	-90.9	-24.7	-175.5	-81.1	-98.9	0	0	0	114.4	P207 Y321	P207-W325 HydrophobicContact CB-CH2 3.72Å; P207-W325 HydrophobicContact CB-CZ2 3.55Å; P207-W325 HydrophobicContact CB-CZ3 4.46Å; Y321-W325 HydrophobicContact CD2-CB 4.48Å; Y321-W325 AromaticContact CD2-CD2 3.59Å; Y321-W325 HydrophobicContact CD2-CD2 3.59Å; Y321-W325 AromaticContact CD2-CE3 3.38Å; Y321-W325 HydrophobicContact CD2-CE3 3.38Å; Y321-W325 HydrophobicContact CD2-CG 4.08Å; Y321-W325 HydrophobicContact CD2-CH2 4.42Å; Y321-W325 AromaticContact CD2-CZ3 3.83Å; Y321-W325 HydrophobicContact CD2-CZ3 3.83Å; Y321-W325 HydrophobicContact CE2-CB 4.13Å; Y321-W325 AromaticContact CE2-CD2 3.63Å; Y321-W325 HydrophobicContact CE2-CD2 3.63Å; Y321-W325 AromaticContact CE2-CE3 3.95Å; Y321-W325 HydrophobicContact CE2-CE3 3.95Å; Y321-W325 AromaticContact CE2-CG 3.71Å; Y321-W325 HydrophobicContact CE2-CG 3.71Å; Y321-W325 HydrophobicContact CG-CE3 4.15Å; Y321-W325 PolarHBondContact O-N 2.65Å
326	Y	96.6	Very high	98.2	Very high	57 Å²	57	11.8 Å²	11.8	22%	0.224	5%	0.054	C	C	.	.	H	α-helix	trans	-131.5	-8.6	-172.5	-59.7	-82.5	0	0	0	114.3	I228 S229 Q232 Y321 N322 C328	I228-Y326 HydrophobicContact CG2-CD1 4.31Å; I228-Y326 HydrophobicContact CG2-CD2 3.38Å; I228-Y326 HydrophobicContact CG2-CE2 3.72Å; I228-Y326 HydrophobicContact CG2-CG 3.71Å; S229-Y326 WeakPolarHBondContact CB-OH 3.45Å; Q232-Y326 PolarHBondContact NE2-O 3.34Å; Y321-Y326 HydrophobicContact CE1-CD2 4.47Å; Y321-Y326 AromaticContact CE1-CE2 3.86Å; Y321-Y326 HydrophobicContact CE1-CE2 3.86Å; Y321-Y326 AromaticContact CZ-CE2 3.78Å; Y321-Y326 PolarHBondContact OH-OH 3.5Å; N322-Y326 PolarHBondContact O-N 2.84Å; Y326-C328 PolarHBondContact O-N 3.07Å
327	G	97.3	Very high	98.2	Very high	8 Å²	8	14 Å²	14	8%	0.082	7%	0.069	C	C	.	.			trans	75.3	6.5	-175.1	0	0	0	0	0	114.5	N322 Y323 M329 G393 R404	N322-G327 PolarHBondContact O-N 2.82Å; Y323-G327 WeakPolarHBondContact O-CA 3.37Å; Y323-G327 PolarHBondContact O-N 3.21Å; G327-M329 PolarHBondContact O-N 3.5Å; G327-G393 WeakPolarHBondContact CA-O 3.3Å; G327-R404 PolarHBondContact O-NH1 3.35Å
328	C	98.4	Very high	98.2	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	7%	0.073	C	C	.	.			trans	-71.3	122.8	180	-177.6	0	0	0	0	110.2	K127 F233 N322 Y323 Y326 E330	K127-C328 PolarHBondContact NZ-SG 3.03Å; K127-C328 VanDerWaalsContact NZ-SG 3.44Å; F233-C328 HydrophobicContact CB-CB 4.34Å; F233-C328 WeakPolarHBondContact CB-SG 3.39Å; F233-C328 WeakPolarHBondContact O-CA 3.39Å; F233-C328 WeakPolarHBondContact O-CB 3.38Å; F233-C328 PolarHBondContact O-SG 3.2Å; N322-C328 CarbonylContact C-O 3.58Å; N322-C328 HydrophobicContact CB-CB 4.1Å; N322-C328 PolarHBondContact O-N 2.91Å; N322-C328 VanDerWaalsContact O-N 3.16Å; Y323-C328 WeakPolarHBondContact CA-O 3.13Å; Y323-C328 PolarHBondContact N-O 3.47Å; Y326-C328 PolarHBondContact O-N 3.07Å; C328-E330 PolarHBondContact O-N 3.4Å; C328-E330 VanDerWaalsContact O-N 3.09Å
329	M	98.7	Very high	98.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	96.4	-178.6	-67.3	-171.8	175.8	0	0	110.6	V234 L235 S236 D270 V273 F274 L277 G327 I405	V234-M329 PolarHBondContact O-N 3.45Å; L235-M329 HydrophobicContact CD1-CB 4.26Å; S236-M329 PolarHBondContact N-O 3.03Å; D270-M329 HydrophobicContact CB-CE 4.05Å; V273-M329 HydrophobicContact CB-CE 4.38Å; V273-M329 HydrophobicContact CB-SD 4.39Å; V273-M329 HydrophobicContact CG1-CE 3.97Å; V273-M329 HydrophobicContact CG1-SD 3.47Å; V273-M329 WeakPolarHBondContact CG1-SD 3.12Å; F274-M329 HydrophobicContact CE1-CB 3.85Å; F274-M329 HydrophobicContact CE1-CG 4.18Å; F274-M329 HydrophobicContact CZ-CB 4.01Å; F274-M329 HydrophobicContact CZ-CG 3.89Å; L277-M329 HydrophobicContact CD1-CB 3.95Å; L277-M329 HydrophobicContact CD1-SD 3.94Å; G327-M329 PolarHBondContact O-N 3.5Å; M329-I405 HydrophobicContact CE-CB 4.44Å; M329-I405 HydrophobicContact SD-CB 3.83Å; M329-I405 HydrophobicContact SD-CD1 4.24Å; M329-I405 HydrophobicContact SD-CG1 4.41Å; M329-I405 HydrophobicContact SD-CG2 4.49Å
330	E	98.9	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.5	173.2	-167.4	158.5	99.3	0	0	112	K127 S236 F274 M318 Q319 N322 C328	K127-E330 IonicContact NZ-OE2 3.97Å; S236-E330 VanDerWaalsContact CB-OE2 3.25Å; S236-E330 WeakPolarHBondContact CB-OE2 3.15Å; S236-E330 WeakPolarHBondContact O-CA 3.43Å; S236-E330 PolarHBondContact OG-OE2 3.49Å; F274-E330 WeakPolarHBondContact CE1-O 3.37Å; M318-E330 VanDerWaalsContact C-OE1 3.3Å; M318-E330 WeakPolarHBondContact CE-OE1 3.46Å; M318-E330 WeakPolarHBondContact CG-OE1 3.45Å; Q319-E330 VanDerWaalsContact CA-OE1 3.32Å; Q319-E330 WeakPolarHBondContact CA-OE1 3.43Å; Q319-E330 HydrophobicContact CB-CG 4.44Å; Q319-E330 HydrophobicContact CG-CB 4.21Å; Q319-E330 HydrophobicContact CG-CG 4.26Å; Q319-E330 VanDerWaalsContact CG-O 3.26Å; Q319-E330 WeakPolarHBondContact CG-O 3.38Å; Q319-E330 PolarHBondContact N-OE1 3.13Å; N322-E330 HydrophobicContact CB-CB 3.75Å; N322-E330 PolarHBondContact ND2-OE1 3.5Å; N322-E330 PolarHBondContact ND2-OE2 3.2Å; C328-E330 PolarHBondContact O-N 3.4Å; C328-E330 VanDerWaalsContact O-N 3.09Å
331	I	98.9	Very high	98.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153	165.4	65.3	168.8	0	0	0	111.3	S236 G237 S238 A246 S247 F274 L333 F360	S236-I331 PolarHBondContact O-N 3.29Å; G237-I331 WeakPolarHBondContact CA-O 3.33Å; S238-I331 PolarHBondContact N-O 2.9Å; A246-I331 HydrophobicContact CB-CD1 4.43Å; S247-I331 WeakPolarHBondContact O-CB 3.45Å; F274-I331 HydrophobicContact CD1-CG2 3.73Å; F274-I331 HydrophobicContact CE1-CG2 4.19Å; I331-L333 HydrophobicContact CD1-CD2 3.72Å; I331-L333 HydrophobicContact CG1-CD2 4.03Å; I331-L333 HydrophobicContact CG1-CG 4.34Å; I331-F360 HydrophobicContact CD1-CD2 4.12Å; I331-F360 HydrophobicContact CD1-CE2 3.41Å; I331-F360 VanDerWaalsContact CD1-CE2 3.41Å; I331-F360 HydrophobicContact CD1-CZ 4.08Å; I331-F360 HydrophobicContact CG1-CE2 3.65Å; I331-F360 HydrophobicContact CG1-CZ 3.78Å
332	T	98.9	Very high	98.1	Very high	10 Å²	10	17.3 Å²	17.3	6%	0.061	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.7	178.2	-64	0	0	0	0	109.8	S247 Q319	S247-T332 PolarHBondContact N-O 2.97Å; S247-T332 PolarHBondContact O-N 3.49Å; Q319-T332 VanDerWaalsContact OE1-CB 3.26Å; Q319-T332 PolarHBondContact OE1-OG1 3.36Å
333	L	98.9	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	92.3	-175.3	-62.1	174.5	0	0	0	109.5	Y128 S238 L239 H240 A246 Y281 I331 I335	Y128-L333 HydrophobicContact CE1-CD1 3.86Å; S238-L333 PolarHBondContact O-N 3.32Å; L239-L333 HydrophobicContact CD1-CD1 4.11Å; L239-L333 HydrophobicContact CG-CB 4.42Å; L239-L333 HydrophobicContact CG-CD1 4.46Å; H240-L333 PolarHBondContact N-O 2.97Å; A246-L333 HydrophobicContact CB-CD2 4.06Å; Y281-L333 HydrophobicContact CD1-CD2 3.72Å; Y281-L333 HydrophobicContact CD2-CD1 3.83Å; Y281-L333 HydrophobicContact CD2-CD2 3.8Å; Y281-L333 HydrophobicContact CD2-CG 4.47Å; Y281-L333 HydrophobicContact CE1-CD2 4.1Å; Y281-L333 HydrophobicContact CE2-CD1 3.56Å; Y281-L333 HydrophobicContact CE2-CD2 4.18Å; Y281-L333 HydrophobicContact CE2-CG 4.45Å; Y281-L333 HydrophobicContact CG-CD1 4.43Å; Y281-L333 HydrophobicContact CG-CD2 3.56Å; I331-L333 HydrophobicContact CD1-CD2 3.72Å; I331-L333 HydrophobicContact CG1-CD2 4.03Å; I331-L333 HydrophobicContact CG1-CG 4.34Å; L333-I335 HydrophobicContact CB-CG2 4Å; L333-I335 PolarHBondContact O-N 3.01Å
334	E	98.7	Very high	98	Very high	9 Å²	9	26.7 Å²	26.7	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	100.7	169.5	-71.8	-84.7	-173.3	0	0	108	H240 G241 G242 A243 L244 V245 M288 W311	H240-E334 HydrophobicContact CB-CG 4.13Å; G241-E334 VanDerWaalsContact CA-OE2 3.22Å; G241-E334 WeakPolarHBondContact CA-OE2 3.43Å; G241-E334 PolarHBondContact N-OE2 2.79Å; G242-E334 PolarHBondContact N-OE2 3.11Å; A243-E334 HydrophobicContact CB-CB 3.88Å; A243-E334 HydrophobicContact CB-CG 4.01Å; A243-E334 PolarHBondContact N-OE2 3.06Å; A243-E334 VanDerWaalsContact N-OE2 3.09Å; A243-E334 CarbonylContact O-C 3.47Å; L244-E334 CarbonylContact C-O 3.49Å; L244-E334 VanDerWaalsContact CA-O 3.27Å; L244-E334 WeakPolarHBondContact CA-O 3.47Å; V245-E334 HydrophobicContact CG1-CB 3.9Å; V245-E334 HydrophobicContact CG1-CG 4.16Å; V245-E334 PolarHBondContact N-O 3.01Å; V245-E334 WeakPolarHBondContact O-CB 3.32Å; V245-E334 PolarHBondContact O-N 2.86Å; M288-E334 VanDerWaalsContact CE-O 3.3Å; M288-E334 WeakPolarHBondContact CE-O 3.4Å; W311-E334 HydrophobicContact CH2-CG 3.94Å; W311-E334 HydrophobicContact CZ3-CG 4.03Å
335	I	98.6	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	2.1	-168.7	61	161.7	0	0	0	114.4	V138 M142 L239 H240 Y281 M288 L333 N353	V138-I335 HydrophobicContact CB-CD1 4.38Å; V138-I335 HydrophobicContact CG1-CD1 3.86Å; V138-I335 HydrophobicContact CG1-CG1 4.33Å; M142-I335 HydrophobicContact CB-CD1 4.39Å; M142-I335 HydrophobicContact CG-CD1 3.65Å; L239-I335 HydrophobicContact CD2-CD1 4.19Å; H240-I335 WeakPolarHBondContact O-CG1 3.17Å; H240-I335 PolarHBondContact O-N 2.87Å; Y281-I335 HydrophobicContact CE1-CG2 4.01Å; M288-I335 HydrophobicContact CE-CG2 4.49Å; L333-I335 HydrophobicContact CB-CG2 4Å; L333-I335 PolarHBondContact O-N 3.01Å; I335-N353 WeakPolarHBondContact CB-OD1 3.11Å; I335-N353 VanDerWaalsContact CG2-OD1 3.28Å; I335-N353 WeakPolarHBondContact CG2-OD1 3.34Å
336	S	97.9	Very high	98.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.111	C	C	.	.			trans	-155.5	122.1	-171.2	49.5	0	0	0	0	112.3	G241 G242 A243	G241-S336 CarbonylContact C-O 3.59Å; G241-S336 WeakPolarHBondContact CA-O 3.26Å; G241-S336 WeakPolarHBondContact CA-OG 3.18Å; G242-S336 PolarHBondContact N-O 2.96Å; A243-S336 CarbonylContact O-C 3.14Å; A243-S336 PolarHBondContact O-N 3.13Å
337	C	96.4	Very high	98.2	Very high	47 Å²	47	25.1 Å²	25.1	32%	0.318	12%	0.124	S	C	.	.	S	Bend	trans	-66.3	-37.9	179.2	-71.3	0	0	0	0	113.1	C294	C294-C337 VanDerWaalsContact CA-SG 3.55Å; C294-C337 HydrophobicContact CB-CB 3.54Å; C294-C337 WeakPolarHBondContact CB-SG 3.44Å; C294-C337 WeakPolarHBondContact SG-CA 3.06Å; C294-C337 WeakPolarHBondContact SG-CB 3.33Å; C294-C337 CovalentContact SG-SG 2.04Å; C294-C337 PolarHBondContact SG-SG 3.19Å
338	C	97.4	Very high	98.3	Very high	14 Å²	14	28.5 Å²	28.5	10%	0.095	14%	0.136	C	C	.	.	S	Bend	trans	-87.3	126.5	170.1	179.3	0	0	0	0	107.9	C188 P341	C188-C338 WeakPolarHBondContact CA-SG 3.44Å; C188-C338 HydrophobicContact CB-CB 3.73Å; C188-C338 WeakPolarHBondContact CB-SG 3.16Å; C188-C338 WeakPolarHBondContact SG-CB 3.38Å; C188-C338 CovalentContact SG-SG 2.03Å; C188-C338 PolarHBondContact SG-SG 2.95Å; C338-P341 HydrophobicContact CB-CB 4.08Å; C338-P341 WeakPolarHBondContact SG-CA 3.23Å; C338-P341 VanDerWaalsContact SG-N 3.43Å
339	K	98.1	Very high	98.3	Very high	33 Å²	33	30 Å²	30	14%	0.143	14%	0.142	C	C	.	.	S	Bend	trans	-61.8	-50.7	-179	-70.8	-170.4	175.7	-72.6	0	112.8	N135 E136 P137 C188 G241	N135-K339 CarbonylContact O-C 3.17Å; N135-K339 WeakPolarHBondContact O-CB 3.29Å; E136-K339 HydrophobicContact CG-CB 4.23Å; E136-K339 HydrophobicContact CG-CD 4.06Å; E136-K339 HydrophobicContact CG-CG 4.1Å; E136-K339 IonicContact OE1-NZ 3.05Å; E136-K339 PolarHBondContact OE1-NZ 3.45Å; P137-K339 WeakPolarHBondContact CD-O 3.23Å; C188-K339 WeakPolarHBondContact O-CG 3.42Å; C188-K339 PolarHBondContact O-N 3.15Å; C188-K339 VanDerWaalsContact O-N 3.13Å; G241-K339 PolarHBondContact O-NZ 2.89Å
340	F	98.4	Very high	98.3	Very high	11 Å²	11	30.9 Å²	30.9	5%	0.048	15%	0.145	C	C	.	.	S	Bend	trans	-125	78.9	178.5	-157.8	150.9	0	0	0	109.6	Y72 P137 K184 E185 G186 T187	Y72-F340 AromaticContact CD1-CE2 3.94Å; Y72-F340 HydrophobicContact CD1-CE2 3.94Å; Y72-F340 HydrophobicContact CD1-CZ 4.45Å; Y72-F340 HydrophobicContact CD2-CD2 4.49Å; Y72-F340 AromaticContact CD2-CE2 3.64Å; Y72-F340 HydrophobicContact CD2-CE2 3.64Å; Y72-F340 HydrophobicContact CD2-CZ 4.49Å; Y72-F340 HydrophobicContact CE1-CD2 4.13Å; Y72-F340 AromaticContact CE1-CE2 3.79Å; Y72-F340 HydrophobicContact CE1-CE2 3.79Å; Y72-F340 AromaticContact CE2-CD2 3.88Å; Y72-F340 HydrophobicContact CE2-CD2 3.88Å; Y72-F340 AromaticContact CE2-CE2 3.48Å; Y72-F340 HydrophobicContact CE2-CE2 3.48Å; Y72-F340 VanDerWaalsContact CE2-CE2 3.48Å; Y72-F340 AromaticContact CG-CE2 3.86Å; Y72-F340 HydrophobicContact CG-CE2 3.86Å; Y72-F340 HydrophobicContact CG-CZ 4.38Å; Y72-F340 AromaticContact CZ-CD2 3.67Å; Y72-F340 AromaticContact CZ-CE2 3.54Å; P137-F340 HydrophobicContact CG-CB 4.16Å; P137-F340 HydrophobicContact CG-CD1 3.73Å; P137-F340 HydrophobicContact CG-CD2 3.54Å; P137-F340 HydrophobicContact CG-CE1 3.96Å; P137-F340 HydrophobicContact CG-CE2 3.8Å; P137-F340 HydrophobicContact CG-CG 3.52Å; P137-F340 HydrophobicContact CG-CZ 4Å; K184-F340 VanDerWaalsContact C-CD1 3.46Å; K184-F340 WeakPolarHBondContact O-CD1 3.49Å; K184-F340 WeakPolarHBondContact O-CG 3.46Å; E185-F340 VanDerWaalsContact CA-CD2 3.49Å; E185-F340 HydrophobicContact CB-CD2 4.11Å; E185-F340 HydrophobicContact CB-CE2 3.73Å; E185-F340 HydrophobicContact CB-CZ 4.25Å; E185-F340 HydrophobicContact CG-CD2 4.23Å; E185-F340 HydrophobicContact CG-CE2 4.02Å; G186-F340 CarbonylContact C-O 3.5Å; G186-F340 VanDerWaalsContact CA-O 3.32Å; G186-F340 WeakPolarHBondContact CA-O 3.47Å; G186-F340 PolarHBondContact N-O 3.32Å; T187-F340 PolarHBondContact N-O 3.07Å; T187-F340 PolarHBondContact O-N 3.08Å
341	P	98.3	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.			trans	-69.4	164.1	179.9	28.3	-32.3	0	0	0	111.9	Y72 V138 C338 E345 Y349	Y72-P341 WeakPolarHBondContact CE2-O 3.33Å; Y72-P341 VanDerWaalsContact OH-CD 3.3Å; Y72-P341 WeakPolarHBondContact OH-CD 3.43Å; Y72-P341 WeakPolarHBondContact OH-CG 3.02Å; Y72-P341 PolarHBondContact OH-O 3.46Å; V138-P341 VanDerWaalsContact CG2-CD 3.43Å; V138-P341 HydrophobicContact CG2-CG 3.54Å; C338-P341 HydrophobicContact CB-CB 4.08Å; C338-P341 WeakPolarHBondContact SG-CA 3.23Å; C338-P341 VanDerWaalsContact SG-N 3.43Å; P341-E345 HydrophobicContact CB-CB 4.42Å; P341-E345 WeakPolarHBondContact CB-OE2 3.44Å; P341-Y349 HydrophobicContact CB-CE2 3.92Å; P341-Y349 HydrophobicContact CG-CD2 4.26Å; P341-Y349 HydrophobicContact CG-CE2 3.52Å
342	P	98.3	Very high	98.3	Very high	30 Å²	30	36.1 Å²	36.1	20%	0.195	17%	0.17	C	C	.	.			trans	-58.1	145.6	170.2	-24.9	36.6	0	0	0	112.7	E185 Y344 E345	E185-P342 VanDerWaalsContact OE1-CA 3.27Å; E185-P342 WeakPolarHBondContact OE1-CA 3.46Å; P342-Y344 HydrophobicContact CB-CD1 3.63Å; P342-Y344 HydrophobicContact CB-CE1 3.25Å; P342-Y344 HydrophobicContact CB-CG 4.42Å; P342-Y344 HydrophobicContact CG-CE1 3.82Å; P342-Y344 PolarHBondContact O-N 3.18Å; P342-Y344 VanDerWaalsContact O-N 3.13Å; P342-E345 PolarHBondContact O-N 3.25Å
343	A	98.1	Very high	98.3	Very high	20 Å²	20	35.7 Å²	35.7	17%	0.165	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-56.9	-33.3	-174.2	0	0	0	0	0	113.4	Y72 E185 E345 L346	Y72-A343 HydrophobicContact CD2-CB 3.88Å; Y72-A343 HydrophobicContact CE2-CB 4.03Å; E185-A343 PolarHBondContact OE1-N 3.29Å; A343-E345 PolarHBondContact O-N 2.93Å; A343-L346 HydrophobicContact CB-CD1 4.35Å; A343-L346 VanDerWaalsContact O-CB 3.31Å; A343-L346 WeakPolarHBondContact O-CB 3.4Å; A343-L346 WeakPolarHBondContact O-CG 3.48Å; A343-L346 PolarHBondContact O-N 2.95Å
344	Y	97.7	Very high	98.2	Very high	178 Å²	178	38 Å²	38	70%	0.698	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-59.9	-19.9	178.4	70	-107.9	0	0	0	113.5	P342	P342-Y344 HydrophobicContact CB-CD1 3.63Å; P342-Y344 HydrophobicContact CB-CE1 3.25Å; P342-Y344 HydrophobicContact CB-CG 4.42Å; P342-Y344 HydrophobicContact CG-CE1 3.82Å; P342-Y344 PolarHBondContact O-N 3.18Å; P342-Y344 VanDerWaalsContact O-N 3.13Å
345	E	98.3	Very high	98.2	Very high	52 Å²	52	41.7 Å²	41.7	24%	0.243	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-81.8	-16.9	176.4	-60.1	-172.1	-167.8	0	0	113.4	P341 P342 A343 K347 K348 Y349	P341-E345 HydrophobicContact CB-CB 4.42Å; P341-E345 WeakPolarHBondContact CB-OE2 3.44Å; P342-E345 PolarHBondContact O-N 3.25Å; A343-E345 PolarHBondContact O-N 2.93Å; E345-K347 VanDerWaalsContact C-N 3.28Å; E345-K347 PolarHBondContact O-N 3.49Å; E345-K348 WeakPolarHBondContact O-CA 3.38Å; E345-K348 VanDerWaalsContact O-CB 3.31Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 2.98Å; E345-Y349 HydrophobicContact CB-CD2 3.91Å; E345-Y349 HydrophobicContact CB-CE2 3.47Å; E345-Y349 VanDerWaalsContact CB-CE2 3.47Å; E345-Y349 HydrophobicContact CG-CE2 4.46Å; E345-Y349 VanDerWaalsContact O-CD2 3.22Å; E345-Y349 WeakPolarHBondContact O-CD2 3.41Å; E345-Y349 PolarHBondContact O-N 2.95Å; E345-Y349 VanDerWaalsContact OE2-CE2 3.32Å; E345-Y349 WeakPolarHBondContact OE2-CE2 3.48Å; E345-Y349 PolarHBondContact OE2-OH 3.22Å
346	L	98.6	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.6	-40.1	-172.6	-72.4	171.9	0	0	0	112.7	F70 V71 Y72 E141 M142 A343 K348 Y349 W350	F70-L346 HydrophobicContact CB-CB 4.22Å; F70-L346 HydrophobicContact CD1-CB 4.16Å; V71-L346 VanDerWaalsContact C-CD1 3.46Å; V71-L346 WeakPolarHBondContact O-CD1 3.39Å; Y72-L346 HydrophobicContact CD1-CD1 4.15Å; Y72-L346 HydrophobicContact CD2-CD1 4.15Å; Y72-L346 HydrophobicContact CE1-CD1 4.04Å; Y72-L346 HydrophobicContact CE1-CD2 3.8Å; Y72-L346 HydrophobicContact CE1-CG 4.36Å; Y72-L346 HydrophobicContact CE2-CD1 4.04Å; Y72-L346 HydrophobicContact CE2-CG 4.4Å; Y72-L346 HydrophobicContact CG-CD1 4.2Å; E141-L346 HydrophobicContact CB-CD2 4.06Å; E141-L346 HydrophobicContact CG-CD1 4.16Å; E141-L346 HydrophobicContact CG-CD2 4.09Å; M142-L346 HydrophobicContact CE-CD2 4.48Å; M142-L346 WeakPolarHBondContact CE-O 3.47Å; A343-L346 HydrophobicContact CB-CD1 4.35Å; A343-L346 VanDerWaalsContact O-CB 3.31Å; A343-L346 WeakPolarHBondContact O-CB 3.4Å; A343-L346 WeakPolarHBondContact O-CG 3.48Å; A343-L346 PolarHBondContact O-N 2.95Å; L346-K348 VanDerWaalsContact C-N 3.3Å; L346-K348 PolarHBondContact O-N 3.38Å; L346-Y349 PolarHBondContact O-N 3.24Å; L346-W350 PolarHBondContact O-N 2.91Å
347	K	98.1	Very high	98.3	Very high	112 Å²	112	41.6 Å²	41.6	49%	0.487	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-40.2	173	-174.9	178.4	175.2	-174.7	0	112.4	F70 E345 W350 E351	F70-K347 HydrophobicContact CB-CB 4.23Å; F70-K347 VanDerWaalsContact CD1-CA 3.49Å; F70-K347 HydrophobicContact CD1-CB 3.95Å; F70-K347 HydrophobicContact CD2-CB 3.8Å; F70-K347 HydrophobicContact CD2-CD 4.28Å; F70-K347 HydrophobicContact CD2-CG 3.98Å; F70-K347 HydrophobicContact CE1-CB 4.26Å; F70-K347 HydrophobicContact CE2-CB 4.11Å; F70-K347 HydrophobicContact CE2-CD 4.28Å; F70-K347 HydrophobicContact CE2-CG 3.85Å; F70-K347 HydrophobicContact CG-CB 3.71Å; F70-K347 HydrophobicContact CG-CG 4.37Å; F70-K347 HydrophobicContact CZ-CB 4.33Å; F70-K347 HydrophobicContact CZ-CG 4.14Å; E345-K347 VanDerWaalsContact C-N 3.28Å; E345-K347 PolarHBondContact O-N 3.49Å; K347-W350 PolarHBondContact O-N 3.44Å; K347-E351 VanDerWaalsContact CE-OE1 3.22Å; K347-E351 WeakPolarHBondContact CE-OE1 3.43Å; K347-E351 WeakPolarHBondContact O-CG 3.4Å; K347-E351 PolarHBondContact O-N 3.5Å
348	K	98.4	Very high	98.4	Very high	79 Å²	79	39.8 Å²	39.8	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-68.5	-37.9	178.8	-169.5	69.7	-126.1	76.2	0	111.3	E345 L346 E351 D352	E345-K348 WeakPolarHBondContact O-CA 3.38Å; E345-K348 VanDerWaalsContact O-CB 3.31Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 2.98Å; L346-K348 VanDerWaalsContact C-N 3.3Å; L346-K348 PolarHBondContact O-N 3.38Å; K348-E351 WeakPolarHBondContact CE-OE2 3.27Å; K348-E351 IonicContact NZ-OE2 3.39Å; K348-E351 PolarHBondContact NZ-OE2 3.19Å; K348-D352 VanDerWaalsContact CE-OD1 3.25Å; K348-D352 WeakPolarHBondContact CE-OD1 3.49Å; K348-D352 IonicContact NZ-OD1 2.75Å; K348-D352 PolarHBondContact NZ-OD1 3Å; K348-D352 IonicContact NZ-OD2 2.65Å; K348-D352 WeakPolarHBondContact O-CB 3.33Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.39Å; K348-D352 VanDerWaalsContact O-N 3.09Å
349	Y	98.7	Very high	98.4	Very high	32 Å²	32	42.1 Å²	42.1	13%	0.125	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-41.1	172.1	-70	-72.9	0	0	0	111.6	V138 M142 P341 E345 L346 D352 N353	V138-Y349 HydrophobicContact CG1-CD1 4.03Å; V138-Y349 HydrophobicContact CG1-CD2 4.14Å; V138-Y349 HydrophobicContact CG1-CG 3.71Å; M142-Y349 VanDerWaalsContact SD-C 3.55Å; P341-Y349 HydrophobicContact CB-CE2 3.92Å; P341-Y349 HydrophobicContact CG-CD2 4.26Å; P341-Y349 HydrophobicContact CG-CE2 3.52Å; E345-Y349 HydrophobicContact CB-CD2 3.91Å; E345-Y349 HydrophobicContact CB-CE2 3.47Å; E345-Y349 VanDerWaalsContact CB-CE2 3.47Å; E345-Y349 HydrophobicContact CG-CE2 4.46Å; E345-Y349 VanDerWaalsContact O-CD2 3.22Å; E345-Y349 WeakPolarHBondContact O-CD2 3.41Å; E345-Y349 PolarHBondContact O-N 2.95Å; E345-Y349 VanDerWaalsContact OE2-CE2 3.32Å; E345-Y349 WeakPolarHBondContact OE2-CE2 3.48Å; E345-Y349 PolarHBondContact OE2-OH 3.22Å; L346-Y349 PolarHBondContact O-N 3.24Å; Y349-D352 PolarHBondContact O-N 3.18Å; Y349-N353 WeakPolarHBondContact O-CB 3.46Å; Y349-N353 PolarHBondContact O-N 3.29Å; Y349-N353 PolarHBondContact O-ND2 3.3Å
350	W	98.7	Very high	98.5	Very high	21 Å²	21	40.6 Å²	40.6	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-52.6	175.8	171.3	-101.6	0	0	0	112.1	F70 M142 H145 L146 Y149 L346 K347 D352 N353 Q354 L357	F70-W350 HydrophobicContact CE1-CB 3.61Å; F70-W350 AromaticContact CE1-CG 3.89Å; F70-W350 HydrophobicContact CE1-CG 3.89Å; F70-W350 HydrophobicContact CZ-CB 4.14Å; F70-W350 AromaticContact CZ-CD1 3.84Å; F70-W350 HydrophobicContact CZ-CG 4.02Å; M142-W350 HydrophobicContact CE-CB 4.06Å; M142-W350 WeakPolarHBondContact SD-CA 3.42Å; M142-W350 HydrophobicContact SD-CB 3.9Å; M142-W350 HydrophobicContact SD-CE3 4.22Å; M142-W350 PolarHBondContact SD-N 2.73Å; H145-W350 HydrophobicContact CB-CD2 3.94Å; H145-W350 HydrophobicContact CB-CE3 3.59Å; H145-W350 HydrophobicContact CB-CH2 4.38Å; H145-W350 HydrophobicContact CB-CZ3 3.84Å; L146-W350 HydrophobicContact CB-CH2 4.33Å; L146-W350 HydrophobicContact CB-CZ3 4.04Å; L146-W350 HydrophobicContact CD1-CH2 4.17Å; L146-W350 HydrophobicContact CD1-CZ3 4.42Å; Y149-W350 HydrophobicContact CD1-CH2 4.47Å; Y149-W350 HydrophobicContact CD1-CZ2 4.48Å; Y149-W350 HydrophobicContact CD2-CZ2 4.35Å; Y149-W350 HydrophobicContact CG-CH2 4.2Å; Y149-W350 AromaticContact CG-CZ2 3.92Å; Y149-W350 HydrophobicContact CG-CZ2 3.92Å; L346-W350 PolarHBondContact O-N 2.91Å; K347-W350 PolarHBondContact O-N 3.44Å; W350-D352 PolarHBondContact O-N 2.86Å; W350-N353 PolarHBondContact O-N 3.4Å; W350-N353 VanDerWaalsContact O-N 3.1Å; W350-Q354 HydrophobicContact CD2-CB 4.21Å; W350-Q354 HydrophobicContact CH2-CB 4.19Å; W350-Q354 HydrophobicContact CH2-CG 3.87Å; W350-Q354 HydrophobicContact CZ2-CB 3.86Å; W350-Q354 HydrophobicContact CZ2-CG 3.43Å; W350-Q354 VanDerWaalsContact CZ2-CG 3.43Å; W350-Q354 HydrophobicContact CZ3-CB 4.49Å; W350-Q354 VanDerWaalsContact O-CB 3.29Å; W350-Q354 WeakPolarHBondContact O-CB 3.37Å; W350-Q354 PolarHBondContact O-N 3.09Å; W350-L357 HydrophobicContact CZ3-CD1 4.27Å
351	E	98.6	Very high	98.5	Very high	98 Å²	98	40 Å²	40	46%	0.458	18%	0.184	S	C	.	.	H	α-helix	trans	-55.6	-35.8	175.1	-72.7	166.2	-176.2	0	0	113.3	K347 K348	K347-E351 VanDerWaalsContact CE-OE1 3.22Å; K347-E351 WeakPolarHBondContact CE-OE1 3.43Å; K347-E351 WeakPolarHBondContact O-CG 3.4Å; K347-E351 PolarHBondContact O-N 3.5Å; K348-E351 WeakPolarHBondContact CE-OE2 3.27Å; K348-E351 IonicContact NZ-OE2 3.39Å; K348-E351 PolarHBondContact NZ-OE2 3.19Å
352	D	98.6	Very high	98.4	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-78.1	-25.4	179.5	-73.4	-7.8	0	0	0	112.8	H285 A286 K287 K348 Y349 W350	H285-D352 WeakPolarHBondContact CA-O 3.31Å; H285-D352 PolarHBondContact CD2-O 3.2Å; A286-D352 HydrophobicContact CB-CB 4.12Å; A286-D352 WeakPolarHBondContact CB-OD1 3.27Å; A286-D352 PolarHBondContact N-O 3Å; K287-D352 WeakPolarHBondContact CD-OD2 3.23Å; K287-D352 WeakPolarHBondContact CE-OD2 3.47Å; K287-D352 IonicContact NZ-OD2 2.7Å; K287-D352 PolarHBondContact NZ-OD2 2.95Å; K348-D352 VanDerWaalsContact CE-OD1 3.25Å; K348-D352 WeakPolarHBondContact CE-OD1 3.49Å; K348-D352 IonicContact NZ-OD1 2.75Å; K348-D352 PolarHBondContact NZ-OD1 3Å; K348-D352 IonicContact NZ-OD2 2.65Å; K348-D352 WeakPolarHBondContact O-CB 3.33Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.39Å; K348-D352 VanDerWaalsContact O-N 3.09Å; Y349-D352 PolarHBondContact O-N 3.18Å; W350-D352 PolarHBondContact O-N 2.86Å
353	N	98.8	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-107.6	-23.4	-173.2	-75.3	-85.9	0	0	0	115.7	M142 Y281 H285 I335 Y349 W350 L355 S356 L357	M142-N353 HydrophobicContact SD-CB 4.5Å; Y281-N353 PolarHBondContact OH-OD1 3.21Å; H285-N353 VanDerWaalsContact CD2-CG 3.42Å; H285-N353 PolarHBondContact CD2-OD1 2.68Å; H285-N353 PolarHBondContact NE2-ND2 2.76Å; H285-N353 PolarHBondContact NE2-OD1 3.27Å; I335-N353 WeakPolarHBondContact CB-OD1 3.11Å; I335-N353 VanDerWaalsContact CG2-OD1 3.28Å; I335-N353 WeakPolarHBondContact CG2-OD1 3.34Å; Y349-N353 WeakPolarHBondContact O-CB 3.46Å; Y349-N353 PolarHBondContact O-N 3.29Å; Y349-N353 PolarHBondContact O-ND2 3.3Å; W350-N353 PolarHBondContact O-N 3.4Å; W350-N353 VanDerWaalsContact O-N 3.1Å; N353-L355 PolarHBondContact O-N 2.95Å; N353-S356 WeakPolarHBondContact O-CA 3.27Å; N353-S356 VanDerWaalsContact O-CB 3.28Å; N353-S356 WeakPolarHBondContact O-CB 3.39Å; N353-S356 PolarHBondContact O-N 3.31Å; N353-S356 PolarHBondContact O-OG 3.48Å; N353-L357 HydrophobicContact CB-CD1 4.21Å; N353-L357 WeakPolarHBondContact O-CG 3.32Å; N353-L357 PolarHBondContact O-N 2.9Å
354	Q	98.4	Very high	98.3	Very high	48 Å²	48	39.6 Å²	39.6	22%	0.224	18%	0.178	C	C	.	.	H	α-helix	trans	-50.5	-53.8	-170.3	174.4	177.1	2	0	0	112.6	W350 S356 L357 I358	W350-Q354 HydrophobicContact CD2-CB 4.21Å; W350-Q354 HydrophobicContact CH2-CB 4.19Å; W350-Q354 HydrophobicContact CH2-CG 3.87Å; W350-Q354 HydrophobicContact CZ2-CB 3.86Å; W350-Q354 HydrophobicContact CZ2-CG 3.43Å; W350-Q354 VanDerWaalsContact CZ2-CG 3.43Å; W350-Q354 HydrophobicContact CZ3-CB 4.49Å; W350-Q354 VanDerWaalsContact O-CB 3.29Å; W350-Q354 WeakPolarHBondContact O-CB 3.37Å; W350-Q354 PolarHBondContact O-N 3.09Å; Q354-S356 VanDerWaalsContact C-N 3.32Å; Q354-S356 PolarHBondContact O-N 3.03Å; Q354-L357 PolarHBondContact O-N 3.26Å; Q354-I358 HydrophobicContact CG-CD1 3.74Å; Q354-I358 VanDerWaalsContact O-CD1 3.27Å; Q354-I358 WeakPolarHBondContact O-CD1 3.18Å; Q354-I358 VanDerWaalsContact O-CG1 3.27Å; Q354-I358 WeakPolarHBondContact O-CG1 3.34Å; Q354-I358 PolarHBondContact O-N 2.78Å
355	L	98.4	Very high	98.2	Very high	87 Å²	87	32.4 Å²	32.4	46%	0.455	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-37.8	-179.2	-175.7	63.5	0	0	0	111.9	N284 N353 I358 K359	N284-L355 HydrophobicContact CB-CD2 4.32Å; N284-L355 HydrophobicContact CB-CG 4.12Å; N284-L355 WeakPolarHBondContact OD1-CD2 3.42Å; N353-L355 PolarHBondContact O-N 2.95Å; L355-I358 PolarHBondContact O-N 3.47Å; L355-K359 HydrophobicContact CD1-CD 4.48Å; L355-K359 HydrophobicContact CD1-CG 3.85Å; L355-K359 HydrophobicContact CG-CG 4.11Å; L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 VanDerWaalsContact O-CG 3.29Å; L355-K359 WeakPolarHBondContact O-CG 3.44Å; L355-K359 PolarHBondContact O-N 2.93Å
356	S	98.7	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.5	-34.9	0	0	0	0	112	N284 H285 N353 Q354 I358 F360	N284-S356 VanDerWaalsContact C-OG 3.28Å; H285-S356 WeakPolarHBondContact CA-OG 3.43Å; H285-S356 WeakPolarHBondContact CB-OG 3.2Å; H285-S356 PolarHBondContact N-OG 2.96Å; N353-S356 WeakPolarHBondContact O-CA 3.27Å; N353-S356 VanDerWaalsContact O-CB 3.28Å; N353-S356 WeakPolarHBondContact O-CB 3.39Å; N353-S356 PolarHBondContact O-N 3.31Å; N353-S356 PolarHBondContact O-OG 3.48Å; Q354-S356 VanDerWaalsContact C-N 3.32Å; Q354-S356 PolarHBondContact O-N 3.03Å; S356-I358 VanDerWaalsContact C-N 3.35Å; S356-I358 PolarHBondContact O-N 2.85Å; S356-F360 WeakPolarHBondContact O-CB 3.33Å; S356-F360 PolarHBondContact O-N 2.95Å
357	L	98.8	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177.5	-66.7	163.6	0	0	0	110.9	Y128 M142 L146 L239 Y281 W350 N353 Q354 L361	Y128-L357 HydrophobicContact CD2-CD2 4.43Å; Y128-L357 HydrophobicContact CE1-CD2 4.27Å; Y128-L357 HydrophobicContact CE2-CB 4.23Å; Y128-L357 HydrophobicContact CE2-CD2 3.75Å; Y128-L357 WeakPolarHBondContact OH-CA 3.46Å; Y128-L357 PolarHBondContact OH-O 3.48Å; M142-L357 HydrophobicContact CB-CD1 4.41Å; L146-L357 HydrophobicContact CD1-CB 4.16Å; L146-L357 HydrophobicContact CD2-CB 4.17Å; L146-L357 HydrophobicContact CD2-CD1 4.48Å; L239-L357 HydrophobicContact CD2-CD2 4.1Å; Y281-L357 HydrophobicContact CE2-CD2 3.97Å; Y281-L357 HydrophobicContact CE2-CG 4.24Å; Y281-L357 WeakPolarHBondContact OH-CD2 3.44Å; W350-L357 HydrophobicContact CZ3-CD1 4.27Å; N353-L357 HydrophobicContact CB-CD1 4.21Å; N353-L357 WeakPolarHBondContact O-CG 3.32Å; N353-L357 PolarHBondContact O-N 2.9Å; Q354-L357 PolarHBondContact O-N 3.26Å; L357-L361 WeakPolarHBondContact O-CD1 3.16Å; L357-L361 WeakPolarHBondContact O-CG 3.27Å; L357-L361 PolarHBondContact O-N 3.32Å
358	I	98.6	Very high	97.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-43.7	-178.3	-65.9	161	0	0	0	111.7	L146 Y149 F150 Y159 Q354 L355 S356	L146-I358 HydrophobicContact CD1-CG1 4.21Å; Y149-I358 HydrophobicContact CD1-CD1 3.92Å; Y149-I358 HydrophobicContact CE1-CD1 3.34Å; Y149-I358 HydrophobicContact CE1-CG1 4.28Å; F150-I358 HydrophobicContact CE1-CG1 4.07Å; F150-I358 HydrophobicContact CZ-CG1 4.44Å; Y159-I358 HydrophobicContact CD1-CG2 3.72Å; Y159-I358 HydrophobicContact CE1-CG2 3.62Å; Q354-I358 HydrophobicContact CG-CD1 3.74Å; Q354-I358 VanDerWaalsContact O-CD1 3.27Å; Q354-I358 WeakPolarHBondContact O-CD1 3.18Å; Q354-I358 VanDerWaalsContact O-CG1 3.27Å; Q354-I358 WeakPolarHBondContact O-CG1 3.34Å; Q354-I358 PolarHBondContact O-N 2.78Å; L355-I358 PolarHBondContact O-N 3.47Å; S356-I358 VanDerWaalsContact C-N 3.35Å; S356-I358 PolarHBondContact O-N 2.85Å
359	K	98.4	Very high	97.8	Very high	64 Å²	64	25.8 Å²	25.8	28%	0.278	12%	0.12	S	C	.	.	H	α-helix	trans	-73.4	-34.2	-178.8	-70.3	-60.7	-177.7	-168	0	113.3	Y159 V280 L355 A362	Y159-K359 HydrophobicContact CE1-CD 4.18Å; Y159-K359 VanDerWaalsContact CZ-NZ 3.29Å; V280-K359 HydrophobicContact CG1-CB 4.28Å; L355-K359 HydrophobicContact CD1-CD 4.48Å; L355-K359 HydrophobicContact CD1-CG 3.85Å; L355-K359 HydrophobicContact CG-CG 4.11Å; L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 VanDerWaalsContact O-CG 3.29Å; L355-K359 WeakPolarHBondContact O-CG 3.44Å; L355-K359 PolarHBondContact O-N 2.93Å; K359-A362 PolarHBondContact O-N 3.31Å
360	F	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-49.6	175.2	176.5	-94.3	0	0	0	111.5	Y128 L235 S236 L277 Y281 I331 S356 A362 E363	Y128-F360 AromaticContact CE1-CD1 3.93Å; Y128-F360 HydrophobicContact CE1-CD1 3.93Å; Y128-F360 HydrophobicContact CE1-CE1 4.07Å; Y128-F360 AromaticContact CZ-CD1 3.76Å; Y128-F360 WeakPolarHBondContact OH-CD1 3.48Å; L235-F360 HydrophobicContact CD1-CE1 4.01Å; L235-F360 HydrophobicContact CD1-CE2 4.11Å; L235-F360 HydrophobicContact CD1-CZ 3.56Å; L235-F360 HydrophobicContact CD2-CD1 3.98Å; L235-F360 HydrophobicContact CD2-CE1 3.76Å; L235-F360 HydrophobicContact CD2-CZ 4.07Å; L235-F360 WeakPolarHBondContact CD2-O 3.46Å; L235-F360 HydrophobicContact CG-CD1 4.37Å; L235-F360 HydrophobicContact CG-CE1 3.65Å; L235-F360 HydrophobicContact CG-CZ 3.76Å; S236-F360 VanDerWaalsContact O-CZ 3.28Å; S236-F360 WeakPolarHBondContact O-CZ 3.29Å; L277-F360 HydrophobicContact CB-CE2 4.19Å; L277-F360 HydrophobicContact CD2-CE2 4.42Å; Y281-F360 HydrophobicContact CD2-CB 3.96Å; Y281-F360 HydrophobicContact CD2-CD2 4.49Å; Y281-F360 HydrophobicContact CD2-CG 4.31Å; I331-F360 HydrophobicContact CD1-CD2 4.12Å; I331-F360 HydrophobicContact CD1-CE2 3.41Å; I331-F360 VanDerWaalsContact CD1-CE2 3.41Å; I331-F360 HydrophobicContact CD1-CZ 4.08Å; I331-F360 HydrophobicContact CG1-CE2 3.65Å; I331-F360 HydrophobicContact CG1-CZ 3.78Å; S356-F360 WeakPolarHBondContact O-CB 3.33Å; S356-F360 PolarHBondContact O-N 2.95Å; F360-A362 PolarHBondContact O-N 3.01Å; F360-A362 VanDerWaalsContact O-N 3.09Å; F360-E363 WeakPolarHBondContact O-CB 3.3Å; F360-E363 PolarHBondContact O-N 3.04Å
361	L	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-29	-179	-70.3	168	0	0	0	113.8	V126 Y128 L146 F150 L163 I169 L357 E363	V126-L361 HydrophobicContact CB-CD2 4.34Å; V126-L361 HydrophobicContact CG2-CD2 3.65Å; Y128-L361 HydrophobicContact CD2-CD1 4.14Å; Y128-L361 HydrophobicContact CD2-CD2 4.03Å; Y128-L361 HydrophobicContact CD2-CG 4.32Å; Y128-L361 HydrophobicContact CE2-CD1 3.62Å; Y128-L361 HydrophobicContact CE2-CD2 3.73Å; Y128-L361 HydrophobicContact CE2-CG 3.6Å; L146-L361 HydrophobicContact CD2-CD1 4.48Å; F150-L361 HydrophobicContact CE2-CD1 4.07Å; F150-L361 HydrophobicContact CZ-CD1 3.8Å; L163-L361 HydrophobicContact CD1-CB 4.45Å; L163-L361 HydrophobicContact CD2-CB 4.23Å; I169-L361 HydrophobicContact CD1-CD1 4.18Å; I169-L361 HydrophobicContact CG2-CD1 4.14Å; I169-L361 HydrophobicContact CG2-CD2 4.21Å; L357-L361 WeakPolarHBondContact O-CD1 3.16Å; L357-L361 WeakPolarHBondContact O-CG 3.27Å; L357-L361 PolarHBondContact O-N 3.32Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.11Å
362	A	96.8	Very high	97.7	Very high	12 Å²	12	20.8 Å²	20.8	10%	0.099	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-71.7	-19.2	177.7	0	0	0	0	0	114	Y159 W162 L163 K359 F360 A364 H365	Y159-A362 WeakPolarHBondContact OH-CB 3.18Å; W162-A362 HydrophobicContact CZ3-CB 4.18Å; L163-A362 HydrophobicContact CD1-CB 4.18Å; K359-A362 PolarHBondContact O-N 3.31Å; F360-A362 PolarHBondContact O-N 3.01Å; F360-A362 VanDerWaalsContact O-N 3.09Å; A362-A364 PolarHBondContact O-N 3.04Å; A362-H365 WeakPolarHBondContact O-CB 3.43Å; A362-H365 PolarHBondContact O-N 2.81Å
363	E	97.6	Very high	97.7	Very high	26 Å²	26	22.6 Å²	22.6	12%	0.121	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-69.5	-11.2	179	-69.3	-73.1	147.3	0	0	113.1	L235 H276 L277 V280 F360 L361 H365 R366 I405	L235-E363 HydrophobicContact CD2-CB 4.31Å; H276-E363 IonicContact CD2-OE2 2.65Å; H276-E363 IonicContact CE1-OE2 3.71Å; H276-E363 VanDerWaalsContact NE2-CD 3.33Å; H276-E363 IonicContact NE2-OE1 3.82Å; H276-E363 IonicContact NE2-OE2 3.98Å; H276-E363 PolarHBondContact NE2-OE2 3.03Å; L277-E363 HydrophobicContact CD2-CB 3.54Å; L277-E363 HydrophobicContact CD2-CG 4.11Å; V280-E363 HydrophobicContact CB-CG 4.41Å; V280-E363 HydrophobicContact CG1-CG 4Å; V280-E363 HydrophobicContact CG2-CG 4.12Å; F360-E363 WeakPolarHBondContact O-CB 3.3Å; F360-E363 PolarHBondContact O-N 3.04Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.11Å; E363-H365 PolarHBondContact O-N 2.81Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.09Å; E363-R366 VanDerWaalsContact O-N 3.14Å; E363-R366 IonicContact OE1-CZ 3.75Å; E363-R366 IonicContact OE1-NE 2.73Å; E363-R366 IonicContact OE1-NH2 3.47Å; E363-R366 PolarHBondContact OE1-NH2 2.96Å; E363-R366 IonicContact OE2-CZ 3.69Å; E363-R366 IonicContact OE2-NE 2.79Å; E363-R366 PolarHBondContact OE2-NE 3.38Å; E363-R366 IonicContact OE2-NH2 3.8Å; E363-R366 PolarHBondContact OE2-NH2 2.91Å; E363-R366 VanDerWaalsContact OE2-NH2 3.13Å; E363-I405 WeakPolarHBondContact O-CD1 3.01Å
364	A	97.2	Very high	97.6	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.8	-16.8	166.9	0	0	0	0	0	113.6	P124 V126 V234 L235 A362 R366	P124-A364 HydrophobicContact CB-CB 4.45Å; P124-A364 HydrophobicContact CG-CB 4.24Å; V126-A364 HydrophobicContact CG1-CB 3.45Å; V126-A364 VanDerWaalsContact CG1-CB 3.45Å; V234-A364 HydrophobicContact CG1-CB 4.44Å; L235-A364 HydrophobicContact CB-CB 4.04Å; L235-A364 HydrophobicContact CD2-CB 4.26Å; A362-A364 PolarHBondContact O-N 3.04Å; A364-R366 VanDerWaalsContact C-N 3.35Å
365	H	95.8	Very high	97.5	Very high	27 Å²	27	25.3 Å²	25.3	13%	0.125	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-91.4	11.5	174.2	-64.7	-70.6	0	0	0	113.7	W162 N166 T167 A362 E363 P434	W162-H365 HydrophobicContact CH2-CB 4.17Å; W162-H365 AromaticContact CH2-CD2 3.45Å; W162-H365 VanDerWaalsContact CH2-CD2 3.45Å; W162-H365 WeakPolarHBondContact CH2-CD2 3.37Å; W162-H365 AromaticContact CH2-CG 3.84Å; N166-H365 PolarHBondContact O-CE1 3.01Å; T167-H365 PolarHBondContact OG1-NE2 2.72Å; A362-H365 WeakPolarHBondContact O-CB 3.43Å; A362-H365 PolarHBondContact O-N 2.81Å; E363-H365 PolarHBondContact O-N 2.81Å; H365-P434 WeakPolarHBondContact O-CB 3.41Å; H365-P434 VanDerWaalsContact O-CD 3.29Å; H365-P434 WeakPolarHBondContact O-CD 3.27Å; H365-P434 VanDerWaalsContact O-CG 3.32Å; H365-P434 WeakPolarHBondContact O-CG 3.44Å
366	R	95.1	Very high	97.4	Very high	60 Å²	60	25.2 Å²	25.2	23%	0.226	14%	0.138	C	C	.	.	S	Bend	trans	-96.3	154	173.9	171.2	-177.1	-53.4	-90.9	-0.9	111.1	H276 E363 A364 I405 L406	H276-R366 PolarHBondContact NE2-NE 2.96Å; H276-R366 PolarHBondContact NE2-NH2 2.95Å; E363-R366 WeakPolarHBondContact O-CB 3.49Å; E363-R366 PolarHBondContact O-N 3.09Å; E363-R366 VanDerWaalsContact O-N 3.14Å; E363-R366 IonicContact OE1-CZ 3.75Å; E363-R366 IonicContact OE1-NE 2.73Å; E363-R366 IonicContact OE1-NH2 3.47Å; E363-R366 PolarHBondContact OE1-NH2 2.96Å; E363-R366 IonicContact OE2-CZ 3.69Å; E363-R366 IonicContact OE2-NE 2.79Å; E363-R366 PolarHBondContact OE2-NE 3.38Å; E363-R366 IonicContact OE2-NH2 3.8Å; E363-R366 PolarHBondContact OE2-NH2 2.91Å; E363-R366 VanDerWaalsContact OE2-NH2 3.13Å; A364-R366 VanDerWaalsContact C-N 3.35Å; R366-I405 HydrophobicContact CB-CG2 4.16Å; R366-I405 HydrophobicContact CG-CG2 4.15Å; R366-I405 WeakPolarHBondContact O-CA 3.4Å; R366-L406 VanDerWaalsContact CD-O 3.24Å; R366-L406 WeakPolarHBondContact CD-O 3.11Å; R366-L406 WeakPolarHBondContact CG-O 3.44Å
367	G	96.5	Very high	97.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	95.8	-133.9	165.2	0	0	0	0	0	111.4	R404 I429 P434 T435	G367-R404 WeakPolarHBondContact CA-O 3.02Å; G367-I429 VanDerWaalsContact O-CD1 3.26Å; G367-I429 WeakPolarHBondContact O-CD1 3.48Å; G367-P434 CarbonylContact O-C 3.57Å; G367-P434 VanDerWaalsContact O-CA 3.22Å; G367-P434 WeakPolarHBondContact O-CA 3.25Å; G367-T435 PolarHBondContact O-N 3.26Å
368	V	97.2	Very high	97.2	Very high	2 Å²	2	33 Å²	33	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140	179.2	63.2	0	0	0	0	110.6	F402 W403 R404 L406 F427 I429 T435 L437	V368-F402 HydrophobicContact CG1-CE2 4.23Å; V368-F402 HydrophobicContact CG2-CE2 4.01Å; V368-F402 HydrophobicContact CG2-CZ 4.49Å; V368-W403 CarbonylContact O-C 3.5Å; V368-W403 WeakPolarHBondContact O-CA 3.1Å; V368-R404 HydrophobicContact CG1-CB 3.95Å; V368-R404 PolarHBondContact N-O 3.05Å; V368-R404 PolarHBondContact O-N 3.11Å; V368-L406 HydrophobicContact CG1-CD1 4.04Å; V368-F427 HydrophobicContact CB-CD2 4.15Å; V368-F427 HydrophobicContact CB-CE2 3.64Å; V368-F427 HydrophobicContact CB-CZ 4.19Å; V368-F427 HydrophobicContact CG1-CE2 3.83Å; V368-F427 HydrophobicContact CG1-CZ 3.89Å; V368-F427 HydrophobicContact CG2-CD2 4.13Å; V368-F427 HydrophobicContact CG2-CE2 4.02Å; V368-F427 HydrophobicContact CG2-CZ 4.48Å; V368-I429 HydrophobicContact CB-CD1 4.07Å; V368-T435 WeakPolarHBondContact CA-O 3.44Å; V368-T435 WeakPolarHBondContact CG2-O 3.45Å; V368-L437 HydrophobicContact CG2-CB 3.55Å; V368-L437 HydrophobicContact CG2-CD2 3.89Å; V368-L437 HydrophobicContact CG2-CG 4.38Å
369	Q	96.6	Very high	97.1	Very high	41 Å²	41	35.2 Å²	35.2	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160	168	67	-179.5	-10.8	0	0	110.3	F402 W403 P434 T435 L436 L437	Q369-F402 CarbonylContact C-O 3.54Å; Q369-F402 WeakPolarHBondContact CA-O 3.26Å; Q369-W403 VanDerWaalsContact CB-CD1 3.42Å; Q369-W403 HydrophobicContact CB-CG 4.11Å; Q369-P434 HydrophobicContact CG-CB 4.26Å; Q369-T435 PolarHBondContact N-O 3.3Å; Q369-T435 VanDerWaalsContact O-O 3.13Å; Q369-L436 CarbonylContact O-C 3.6Å; Q369-L436 VanDerWaalsContact O-CA 3.3Å; Q369-L436 WeakPolarHBondContact O-CA 3.39Å; Q369-L437 PolarHBondContact O-N 2.98Å
370	G	96.8	Very high	97.1	Very high	4 Å²	4	33 Å²	33	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-155.7	175.9	0	0	0	0	0	112.7	E401 F402 L437	G370-E401 CarbonylContact O-C 3.28Å; G370-E401 VanDerWaalsContact O-CA 3.28Å; G370-E401 WeakPolarHBondContact O-CA 3.28Å; G370-F402 VanDerWaalsContact C-CE1 3.47Å; G370-F402 PolarHBondContact N-O 3.33Å; G370-F402 VanDerWaalsContact O-CD1 3.31Å; G370-F402 WeakPolarHBondContact O-CD1 3.47Å; G370-F402 PolarHBondContact O-N 3.41Å; G370-L437 WeakPolarHBondContact CA-O 3.29Å
371	F	98	Very high	97	Very high	43 Å²	43	38.6 Å²	38.6	19%	0.189	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.1	-166.9	-64.1	-97.6	0	0	0	112.6	V121 F373 G400 E401 L437 N438 V439	V121-F371 HydrophobicContact CG1-CE1 3.54Å; V121-F371 HydrophobicContact CG1-CZ 3.53Å; F371-F373 HydrophobicContact CB-CD2 3.93Å; F371-F373 HydrophobicContact CB-CE1 4.18Å; F371-F373 HydrophobicContact CB-CE2 3.26Å; F371-F373 HydrophobicContact CB-CZ 3.4Å; F371-F373 VanDerWaalsContact CB-CZ 3.4Å; F371-F373 HydrophobicContact CD1-CE1 4.36Å; F371-F373 AromaticContact CD1-CZ 3.82Å; F371-F373 HydrophobicContact CD1-CZ 3.82Å; F371-F373 AromaticContact CG-CE2 3.95Å; F371-F373 HydrophobicContact CG-CE2 3.95Å; F371-F373 AromaticContact CG-CZ 3.69Å; F371-F373 HydrophobicContact CG-CZ 3.69Å; F371-G400 CarbonylContact C-O 3.49Å; F371-G400 WeakPolarHBondContact CA-O 3.41Å; F371-E401 HydrophobicContact CD1-CG 3.95Å; F371-E401 HydrophobicContact CE1-CB 4.46Å; F371-E401 HydrophobicContact CE1-CG 3.45Å; F371-E401 VanDerWaalsContact CE1-CG 3.45Å; F371-E401 HydrophobicContact CZ-CG 4.07Å; F371-L437 PolarHBondContact N-O 2.8Å; F371-N438 WeakPolarHBondContact CD2-OD1 3.36Å; F371-N438 PolarHBondContact N-OD1 3.24Å; F371-N438 CarbonylContact O-C 3.51Å; F371-N438 WeakPolarHBondContact O-CA 3.11Å; F371-V439 PolarHBondContact O-N 3Å
372	V	98.3	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.8	167.5	-171.7	0	0	0	0	109.5	I380 A383 I385 T396 G400 F402 V415 V439 L441	V372-I380 HydrophobicContact CG1-CB 4.14Å; V372-I380 HydrophobicContact CG1-CD1 4.22Å; V372-I380 PolarHBondContact O-N 3.36Å; V372-A383 HydrophobicContact CB-CB 4.38Å; V372-A383 HydrophobicContact CG1-CB 4.09Å; V372-A383 HydrophobicContact CG2-CB 4.45Å; V372-I385 HydrophobicContact CG2-CD1 4.11Å; V372-T396 HydrophobicContact CB-CG2 3.95Å; V372-T396 HydrophobicContact CG2-CG2 3.53Å; V372-G400 PolarHBondContact N-O 3.45Å; V372-F402 HydrophobicContact CG2-CD1 4.05Å; V372-F402 HydrophobicContact CG2-CE1 4.16Å; V372-V415 HydrophobicContact CG1-CG1 3.97Å; V372-V415 HydrophobicContact CG2-CG1 4Å; V372-V439 WeakPolarHBondContact CA-O 3.47Å; V372-L441 HydrophobicContact CG1-CD1 3.84Å; V372-L441 HydrophobicContact CG1-CG 3.8Å
373	F	98.1	Very high	96.9	Very high	49 Å²	49	45.8 Å²	45.8	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159	-176.4	-63.5	-66.3	0	0	0	112.1	F371 G377 M378 P379 I380 V439 T440 L441	F371-F373 HydrophobicContact CB-CD2 3.93Å; F371-F373 HydrophobicContact CB-CE1 4.18Å; F371-F373 HydrophobicContact CB-CE2 3.26Å; F371-F373 HydrophobicContact CB-CZ 3.4Å; F371-F373 VanDerWaalsContact CB-CZ 3.4Å; F371-F373 HydrophobicContact CD1-CE1 4.36Å; F371-F373 AromaticContact CD1-CZ 3.82Å; F371-F373 HydrophobicContact CD1-CZ 3.82Å; F371-F373 AromaticContact CG-CE2 3.95Å; F371-F373 HydrophobicContact CG-CE2 3.95Å; F371-F373 AromaticContact CG-CZ 3.69Å; F371-F373 HydrophobicContact CG-CZ 3.69Å; F373-G377 WeakPolarHBondContact CD1-O 3.38Å; F373-M378 CarbonylContact C-O 3.55Å; F373-M378 VanDerWaalsContact CA-O 3.29Å; F373-M378 WeakPolarHBondContact CA-O 3.3Å; F373-P379 HydrophobicContact CD1-CB 4.41Å; F373-P379 HydrophobicContact CE1-CB 4.4Å; F373-I380 WeakPolarHBondContact O-CD1 3.31Å; F373-V439 PolarHBondContact N-O 2.76Å; F373-T440 CarbonylContact O-C 3.52Å; F373-T440 VanDerWaalsContact O-CA 3.29Å; F373-T440 WeakPolarHBondContact O-CA 3.14Å; F373-L441 PolarHBondContact O-N 2.96Å
374	D	96.8	Very high	96.9	Very high	38 Å²	38	47 Å²	47	20%	0.203	26%	0.257	C	S	.	.			trans	-84.6	175.7	162.4	88	-12.4	0	0	0	111.6	A376 G377 M378 I380 F420 T440	D374-A376 PolarHBondContact O-N 2.84Å; D374-A376 WeakPolarHBondContact OD1-CA 3.18Å; D374-A376 WeakPolarHBondContact OD1-CB 3.4Å; D374-A376 PolarHBondContact OD1-N 3.23Å; D374-G377 PolarHBondContact O-N 2.86Å; D374-G377 VanDerWaalsContact O-N 3.08Å; D374-G377 PolarHBondContact OD1-N 3.42Å; D374-M378 PolarHBondContact N-O 3.41Å; D374-M378 WeakPolarHBondContact OD1-CB 3.39Å; D374-M378 PolarHBondContact OD1-N 3.4Å; D374-I380 HydrophobicContact CB-CD1 4.18Å; D374-I380 HydrophobicContact CB-CG1 4.36Å; D374-F420 HydrophobicContact CB-CE1 3.81Å; D374-F420 HydrophobicContact CB-CZ 3.85Å; D374-T440 WeakPolarHBondContact O-CG2 3.35Å
375	P	96.8	Very high	96.9	Very high	67 Å²	67	47 Å²	47	44%	0.435	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.3	180	-19.8	34.6	0	0	0	115.1	T440 L441 P443	P375-T440 HydrophobicContact CG-CG2 4.46Å; P375-L441 WeakPolarHBondContact CD-O 3.47Å; P375-P443 HydrophobicContact CG-CG 4.5Å
376	A	96.1	Very high	96.9	Very high	85 Å²	85	48.5 Å²	48.5	70%	0.702	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.5	172.3	0	0	0	0	0	112.4	D374	D374-A376 PolarHBondContact O-N 2.84Å; D374-A376 WeakPolarHBondContact OD1-CA 3.18Å; D374-A376 WeakPolarHBondContact OD1-CB 3.4Å; D374-A376 PolarHBondContact OD1-N 3.23Å
377	G	95.6	Very high	97.1	Very high	45 Å²	45	45.7 Å²	45.7	46%	0.464	25%	0.252	S	S	.	.	S	Bend	trans	86	9.6	-176.6	0	0	0	0	0	114	F373 D374	F373-G377 WeakPolarHBondContact CD1-O 3.38Å; D374-G377 PolarHBondContact O-N 2.86Å; D374-G377 VanDerWaalsContact O-N 3.08Å; D374-G377 PolarHBondContact OD1-N 3.42Å
378	M	97.2	Very high	97.1	Very high	120 Å²	120	50 Å²	50	59%	0.591	27%	0.27	S	S	*	.			trans	-75.7	136.3	176	-64.1	-61	-64.1	0	0	110.3	F373 D374	F373-M378 CarbonylContact C-O 3.55Å; F373-M378 VanDerWaalsContact CA-O 3.29Å; F373-M378 WeakPolarHBondContact CA-O 3.3Å; D374-M378 PolarHBondContact N-O 3.41Å; D374-M378 WeakPolarHBondContact OD1-CB 3.39Å; D374-M378 PolarHBondContact OD1-N 3.4Å
379	P	97.7	Very high	97	Very high	54 Å²	54	53.1 Å²	53.1	35%	0.351	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-67.4	138.8	178	27.4	-34.1	0	0	0	111.4	F373 Y399	F373-P379 HydrophobicContact CD1-CB 4.41Å; F373-P379 HydrophobicContact CE1-CB 4.4Å; P379-Y399 VanDerWaalsContact CB-O 3.27Å; P379-Y399 WeakPolarHBondContact CB-O 3.34Å
380	I	97.8	Very high	97	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.087	30%	0.299	C	S	.	.			trans	-97.9	103	176.6	-58.5	-179.9	0	0	0	108.7	V372 F373 D374 A383 T396 A417 F420 L441	V372-I380 HydrophobicContact CG1-CB 4.14Å; V372-I380 HydrophobicContact CG1-CD1 4.22Å; V372-I380 PolarHBondContact O-N 3.36Å; F373-I380 WeakPolarHBondContact O-CD1 3.31Å; D374-I380 HydrophobicContact CB-CD1 4.18Å; D374-I380 HydrophobicContact CB-CG1 4.36Å; I380-A383 HydrophobicContact CG2-CB 4.01Å; I380-T396 PolarHBondContact O-OG1 3.36Å; I380-A417 HydrophobicContact CG2-CB 3.68Å; I380-F420 HydrophobicContact CD1-CD1 4.09Å; I380-F420 HydrophobicContact CD1-CD2 4.11Å; I380-F420 HydrophobicContact CD1-CE1 3.72Å; I380-F420 HydrophobicContact CD1-CE2 3.74Å; I380-F420 HydrophobicContact CD1-CG 4.28Å; I380-F420 HydrophobicContact CD1-CZ 3.54Å; I380-F420 HydrophobicContact CG1-CE2 4.35Å; I380-F420 HydrophobicContact CG1-CZ 4.22Å; I380-L441 HydrophobicContact CD1-CB 3.89Å; I380-L441 HydrophobicContact CD1-CD1 3.9Å; I380-L441 HydrophobicContact CD1-CG 4.13Å
381	E	96.3	Very high	96.7	Very high	118 Å²	118	57.7 Å²	57.7	55%	0.551	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	138.7	173.3	175.9	164.6	-158.3	0	0	111.5	A383 T397 K398	E381-A383 PolarHBondContact O-N 3.28Å; E381-A383 VanDerWaalsContact O-N 3.13Å; E381-T397 WeakPolarHBondContact CA-O 3.35Å; E381-K398 HydrophobicContact CG-CB 4.39Å
382	R	95.4	Very high	96.6	Very high	162 Å²	162	56 Å²	56	61%	0.611	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.7	174.2	-63.3	175.6	74.3	145.2	14.8	115.5	S384 T396	R382-S384 PolarHBondContact O-N 2.78Å; R382-T396 PolarHBondContact N-O 2.87Å; R382-T396 PolarHBondContact N-OG1 3.07Å
383	A	97.6	Very high	96.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.334	C	S	.	.			trans	-57.6	130	162.5	0	0	0	0	0	108.5	V372 I380 E381 Q395 T396 V415 F416 A417	V372-A383 HydrophobicContact CB-CB 4.38Å; V372-A383 HydrophobicContact CG1-CB 4.09Å; V372-A383 HydrophobicContact CG2-CB 4.45Å; I380-A383 HydrophobicContact CG2-CB 4.01Å; E381-A383 PolarHBondContact O-N 3.28Å; E381-A383 VanDerWaalsContact O-N 3.13Å; A383-Q395 WeakPolarHBondContact O-CA 3.43Å; A383-T396 HydrophobicContact CB-CG2 4.03Å; A383-T396 PolarHBondContact N-OG1 2.82Å; A383-T396 PolarHBondContact O-N 3.13Å; A383-T396 VanDerWaalsContact O-N 3.11Å; A383-V415 HydrophobicContact CB-CG1 4.32Å; A383-F416 CarbonylContact C-O 3.47Å; A383-F416 WeakPolarHBondContact CA-O 3.37Å; A383-A417 HydrophobicContact CB-CB 4.11Å
384	S	97.5	Very high	96.3	Very high	53 Å²	53	55.5 Å²	55.5	37%	0.371	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.3	176	-173.3	0	0	0	0	109.2	R382 F416	R382-S384 PolarHBondContact O-N 2.78Å; S384-F416 PolarHBondContact N-O 3.33Å; S384-F416 PolarHBondContact O-N 3.11Å
385	I	97.9	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.4	-178.2	-55.6	174.8	0	0	0	109.3	V372 G393 F394 T396 F402 V413 E414 V415	V372-I385 HydrophobicContact CG2-CD1 4.11Å; I385-G393 CarbonylContact O-C 3.52Å; I385-G393 WeakPolarHBondContact O-CA 3.18Å; I385-F394 HydrophobicContact CB-CD2 3.86Å; I385-F394 HydrophobicContact CB-CE1 4.36Å; I385-F394 HydrophobicContact CB-CE2 3.6Å; I385-F394 HydrophobicContact CB-CG 4.35Å; I385-F394 HydrophobicContact CB-CZ 3.87Å; I385-F394 HydrophobicContact CD1-CD2 4.29Å; I385-F394 HydrophobicContact CD1-CE2 3.93Å; I385-F394 HydrophobicContact CG1-CE2 4.37Å; I385-F394 HydrophobicContact CG2-CD2 4.18Å; I385-F394 HydrophobicContact CG2-CE1 3.95Å; I385-F394 HydrophobicContact CG2-CE2 3.41Å; I385-F394 VanDerWaalsContact CG2-CE2 3.41Å; I385-F394 HydrophobicContact CG2-CZ 3.27Å; I385-F394 PolarHBondContact N-O 3.45Å; I385-F394 PolarHBondContact O-N 3.29Å; I385-T396 HydrophobicContact CD1-CG2 3.61Å; I385-T396 HydrophobicContact CG1-CG2 4.43Å; I385-F402 HydrophobicContact CD1-CB 3.45Å; I385-F402 VanDerWaalsContact CD1-CB 3.45Å; I385-F402 HydrophobicContact CD1-CD1 3.63Å; I385-F402 HydrophobicContact CD1-CD2 4.06Å; I385-F402 HydrophobicContact CD1-CE1 4.37Å; I385-F402 HydrophobicContact CD1-CG 3.43Å; I385-F402 VanDerWaalsContact CD1-CG 3.43Å; I385-V413 HydrophobicContact CG2-CG2 3.28Å; I385-E414 WeakPolarHBondContact CA-O 3.21Å; I385-V415 HydrophobicContact CG1-CG1 4.3Å; I385-V415 HydrophobicContact CG1-CG2 4.42Å; I385-V415 HydrophobicContact CG2-CG2 4.43Å
386	K	96.9	Very high	96.3	Very high	60 Å²	60	54 Å²	54	26%	0.261	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.8	175.4	175.1	171.8	171.9	167	0	110.1	R390 D391 V413 E414	K386-R390 VanDerWaalsContact CE-O 3.27Å; K386-R390 WeakPolarHBondContact CE-O 3.37Å; K386-R390 WeakPolarHBondContact CG-O 3.49Å; K386-D391 IonicContact NZ-OD1 2.73Å; K386-D391 PolarHBondContact NZ-OD1 3.27Å; K386-V413 WeakPolarHBondContact O-CA 3.33Å; K386-E414 HydrophobicContact CB-CB 4.42Å; K386-E414 PolarHBondContact N-O 2.95Å; K386-E414 PolarHBondContact O-N 2.04Å
387	I	98.1	Very high	96.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.5	167	-56.1	-53	0	0	0	107.4	G389 R390 F394 R404 L406 Y411 V413 F427	I387-G389 PolarHBondContact O-N 3.4Å; I387-R390 HydrophobicContact CB-CB 4.17Å; I387-R390 HydrophobicContact CB-CG 4.2Å; I387-R390 HydrophobicContact CG2-CG 4.16Å; I387-R390 WeakPolarHBondContact O-CA 3.27Å; I387-R390 PolarHBondContact O-N 3.41Å; I387-R390 VanDerWaalsContact O-O 3.1Å; I387-F394 HydrophobicContact CD1-CE1 4.47Å; I387-F394 HydrophobicContact CD1-CZ 4.37Å; I387-F394 HydrophobicContact CG1-CE1 4.31Å; I387-R404 HydrophobicContact CG1-CG 4.2Å; I387-L406 HydrophobicContact CD1-CD1 4.26Å; I387-L406 HydrophobicContact CG1-CD1 4.35Å; I387-L406 HydrophobicContact CG1-CD2 4.48Å; I387-Y411 HydrophobicContact CG2-CD1 3.79Å; I387-V413 HydrophobicContact CD1-CB 4.21Å; I387-V413 HydrophobicContact CD1-CG2 4.19Å; I387-F427 HydrophobicContact CD1-CE1 4.25Å; I387-F427 HydrophobicContact CD1-CZ 3.95Å
388	K	96.9	Very high	96.3	Very high	90 Å²	90	54.3 Å²	54.3	39%	0.391	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	124.1	-175.8	-161.7	172.4	-164.2	93.2	0	109.9	K412 E414 E424	K388-K412 HydrophobicContact CB-CB 4.06Å; K388-K412 WeakPolarHBondContact CB-O 3.36Å; K388-K412 HydrophobicContact CD-CB 4.41Å; K388-K412 HydrophobicContact CD-CD 3.9Å; K388-K412 HydrophobicContact CD-CG 4.44Å; K388-K412 PolarHBondContact N-O 2.81Å; K388-E414 HydrophobicContact CB-CG 3.98Å; K388-E414 HydrophobicContact CD-CG 4.46Å; K388-E414 HydrophobicContact CG-CG 4.23Å; K388-E414 WeakPolarHBondContact CG-OE1 2.93Å; K388-E414 IonicContact NZ-OE1 3.29Å; K388-E414 PolarHBondContact NZ-OE1 2.93Å; K388-E424 WeakPolarHBondContact CE-OE2 3.32Å; K388-E424 IonicContact NZ-OE1 3.83Å; K388-E424 PolarHBondContact NZ-OE1 3.31Å; K388-E424 IonicContact NZ-OE2 3.78Å; K388-E424 PolarHBondContact NZ-OE2 2.78Å
389	G	95.6	Very high	96.2	Very high	68 Å²	68	52.3 Å²	52.3	70%	0.701	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-2.7	-172	0	0	0	0	0	115.4	I387	I387-G389 PolarHBondContact O-N 3.4Å
390	R	96.4	Very high	96.2	Very high	27 Å²	27	49.8 Å²	49.8	10%	0.102	26%	0.256	C	S	.	.			trans	-114.8	109.4	169.3	-53.4	-165.1	179	-144.6	-12.5	110	P269 D270 D272 K386 I387 V392	P269-R390 HydrophobicContact CB-CB 3.93Å; P269-R390 HydrophobicContact CB-CG 4.49Å; P269-R390 VanDerWaalsContact O-CD 3.29Å; P269-R390 WeakPolarHBondContact O-CD 3.47Å; P269-R390 WeakPolarHBondContact O-CG 3.29Å; D270-R390 WeakPolarHBondContact OD1-CD 3.32Å; D270-R390 IonicContact OD1-CZ 1.75Å; D270-R390 IonicContact OD1-NE 2.74Å; D270-R390 IonicContact OD1-NH1 2.79Å; D270-R390 PolarHBondContact OD1-NH1 2.71Å; D272-R390 IonicContact OD1-CZ 3.73Å; D272-R390 VanDerWaalsContact OD1-CZ 3.29Å; D272-R390 IonicContact OD1-NH1 3.72Å; D272-R390 PolarHBondContact OD1-NH1 3.4Å; D272-R390 IonicContact OD1-NH2 3.34Å; D272-R390 PolarHBondContact OD1-NH2 3.3Å; D272-R390 IonicContact OD2-CZ 3.6Å; D272-R390 IonicContact OD2-NH1 3.9Å; D272-R390 IonicContact OD2-NH2 3.96Å; D272-R390 PolarHBondContact OD2-NH2 2.94Å; K386-R390 VanDerWaalsContact CE-O 3.27Å; K386-R390 WeakPolarHBondContact CE-O 3.37Å; K386-R390 WeakPolarHBondContact CG-O 3.49Å; I387-R390 HydrophobicContact CB-CB 4.17Å; I387-R390 HydrophobicContact CB-CG 4.2Å; I387-R390 HydrophobicContact CG2-CG 4.16Å; I387-R390 WeakPolarHBondContact O-CA 3.27Å; I387-R390 PolarHBondContact O-N 3.41Å; I387-R390 VanDerWaalsContact O-O 3.1Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.7Å
391	D	90.3	Very high	96.1	Very high	114 Å²	114	49 Å²	49	61%	0.61	25%	0.252	S	S	*	.			trans	-75.2	-8	-166	-75.7	-42.3	0	0	0	116.4	P269 K386	P269-D391 HydrophobicContact CG-CB 4.24Å; K386-D391 IonicContact NZ-OD1 2.73Å; K386-D391 PolarHBondContact NZ-OD1 3.27Å
392	V	95	Very high	96.2	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	23%	0.226	C	C	.	.			trans	-95.8	112.5	176	176.8	0	0	0	0	110.9	P269 Y323 R390 R404	P269-V392 HydrophobicContact CG-CG2 4.49Å; Y323-V392 HydrophobicContact CD1-CG1 4.34Å; Y323-V392 HydrophobicContact CD1-CG2 4.3Å; Y323-V392 HydrophobicContact CD2-CG1 3.99Å; Y323-V392 HydrophobicContact CE1-CB 4.01Å; Y323-V392 HydrophobicContact CE1-CG1 4.11Å; Y323-V392 HydrophobicContact CE1-CG2 3.57Å; Y323-V392 HydrophobicContact CE2-CB 3.99Å; Y323-V392 HydrophobicContact CE2-CG1 3.75Å; Y323-V392 HydrophobicContact CE2-CG2 4.46Å; Y323-V392 HydrophobicContact CG-CG1 4.29Å; Y323-V392 WeakPolarHBondContact O-CG1 3.43Å; R390-V392 VanDerWaalsContact C-N 3.29Å; R390-V392 PolarHBondContact O-N 2.7Å; V392-R404 PolarHBondContact O-NH2 3.32Å
393	G	94.9	Very high	96.3	Very high	29 Å²	29	36.7 Å²	36.7	30%	0.299	20%	0.2	S	C	.	.			trans	-83.5	-179.1	177.5	0	0	0	0	0	114.6	G327 I385	G327-G393 WeakPolarHBondContact CA-O 3.3Å; I385-G393 CarbonylContact O-C 3.52Å; I385-G393 WeakPolarHBondContact O-CA 3.18Å
394	F	96.2	Very high	96.3	Very high	8 Å²	8	37 Å²	37	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	176	176.2	50.3	-79.8	0	0	0	109.3	I385 I387 F402 R404	I385-F394 HydrophobicContact CB-CD2 3.86Å; I385-F394 HydrophobicContact CB-CE1 4.36Å; I385-F394 HydrophobicContact CB-CE2 3.6Å; I385-F394 HydrophobicContact CB-CG 4.35Å; I385-F394 HydrophobicContact CB-CZ 3.87Å; I385-F394 HydrophobicContact CD1-CD2 4.29Å; I385-F394 HydrophobicContact CD1-CE2 3.93Å; I385-F394 HydrophobicContact CG1-CE2 4.37Å; I385-F394 HydrophobicContact CG2-CD2 4.18Å; I385-F394 HydrophobicContact CG2-CE1 3.95Å; I385-F394 HydrophobicContact CG2-CE2 3.41Å; I385-F394 VanDerWaalsContact CG2-CE2 3.41Å; I385-F394 HydrophobicContact CG2-CZ 3.27Å; I385-F394 PolarHBondContact N-O 3.45Å; I385-F394 PolarHBondContact O-N 3.29Å; I387-F394 HydrophobicContact CD1-CE1 4.47Å; I387-F394 HydrophobicContact CD1-CZ 4.37Å; I387-F394 HydrophobicContact CG1-CE1 4.31Å; F394-F402 HydrophobicContact CD2-CB 4.4Å; F394-F402 HydrophobicContact CE2-CB 4.09Å; F394-F402 AromaticContact CE2-CD2 3.91Å; F394-F402 HydrophobicContact CE2-CD2 3.91Å; F394-F402 HydrophobicContact CE2-CG 4.34Å; F394-R404 HydrophobicContact CE1-CB 3.91Å; F394-R404 HydrophobicContact CE1-CG 3.76Å; F394-R404 HydrophobicContact CE2-CB 4.11Å; F394-R404 HydrophobicContact CZ-CB 3.55Å; F394-R404 HydrophobicContact CZ-CG 3.94Å
395	Q	96.3	Very high	96.3	Very high	71 Å²	71	34.5 Å²	34.5	33%	0.332	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.5	-177.8	-66	-168.9	-8.5	0	0	112.4	Q232 A383	Q232-Q395 PolarHBondContact NE2-O 2.89Å; A383-Q395 WeakPolarHBondContact O-CA 3.43Å
396	T	97	Very high	96.3	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.025	18%	0.184	C	C	.	.			trans	-78	151.5	169.7	52.5	0	0	0	0	113.1	V372 I380 R382 A383 I385 G400 E401 F402	V372-T396 HydrophobicContact CB-CG2 3.95Å; V372-T396 HydrophobicContact CG2-CG2 3.53Å; I380-T396 PolarHBondContact O-OG1 3.36Å; R382-T396 PolarHBondContact N-O 2.87Å; R382-T396 PolarHBondContact N-OG1 3.07Å; A383-T396 HydrophobicContact CB-CG2 4.03Å; A383-T396 PolarHBondContact N-OG1 2.82Å; A383-T396 PolarHBondContact O-N 3.13Å; A383-T396 VanDerWaalsContact O-N 3.11Å; I385-T396 HydrophobicContact CD1-CG2 3.61Å; I385-T396 HydrophobicContact CG1-CG2 4.43Å; T396-G400 VanDerWaalsContact CG2-O 3.3Å; T396-G400 WeakPolarHBondContact CG2-O 3.13Å; T396-E401 CarbonylContact C-O 3.55Å; T396-E401 WeakPolarHBondContact CA-O 3.38Å; T396-E401 WeakPolarHBondContact CB-O 3.28Å; T396-F402 HydrophobicContact CG2-CB 4.3Å; T396-F402 HydrophobicContact CG2-CD1 4.44Å
397	T	95.8	Very high	96.3	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.117	18%	0.181	C	C	.	.			trans	-67.5	172.3	169.6	73.6	0	0	0	0	111.7	Q232 E381 Y399 G400 E401 W403	Q232-T397 HydrophobicContact CB-CG2 4.09Å; Q232-T397 HydrophobicContact CG-CG2 4.41Å; E381-T397 WeakPolarHBondContact CA-O 3.35Å; T397-Y399 PolarHBondContact O-N 2.99Å; T397-Y399 PolarHBondContact OG1-N 3.38Å; T397-G400 PolarHBondContact O-N 3.03Å; T397-E401 WeakPolarHBondContact CB-OE2 3.29Å; T397-E401 HydrophobicContact CG2-CB 3.97Å; T397-E401 WeakPolarHBondContact CG2-OE2 3.46Å; T397-E401 PolarHBondContact N-O 3.22Å; T397-E401 WeakPolarHBondContact OG1-CB 3.44Å; T397-E401 PolarHBondContact OG1-N 3.24Å; T397-E401 PolarHBondContact OG1-OE2 3.22Å; T397-W403 HydrophobicContact CG2-CH2 4.25Å; T397-W403 HydrophobicContact CG2-CZ3 3.75Å
398	K	94.6	Very high	96.3	Very high	117 Å²	117	36.2 Å²	36.2	51%	0.509	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.3	166.7	58.7	162.3	171.7	156.1	0	115.2	E381	E381-K398 HydrophobicContact CG-CB 4.39Å
399	Y	96.1	Very high	96.3	Very high	78 Å²	78	33 Å²	33	31%	0.306	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	11.9	174.2	-54.9	-66.8	0	0	0	112.5	H119 V121 P379 T397 E401	H119-Y399 AromaticContact CD2-CD2 3.74Å; H119-Y399 AromaticContact CD2-CE2 3.74Å; V121-Y399 HydrophobicContact CG2-CD1 4.18Å; V121-Y399 HydrophobicContact CG2-CD2 3.86Å; V121-Y399 HydrophobicContact CG2-CE2 4.3Å; V121-Y399 HydrophobicContact CG2-CG 3.8Å; P379-Y399 VanDerWaalsContact CB-O 3.27Å; P379-Y399 WeakPolarHBondContact CB-O 3.34Å; T397-Y399 PolarHBondContact O-N 2.99Å; T397-Y399 PolarHBondContact OG1-N 3.38Å; Y399-E401 WeakPolarHBondContact CD2-OE2 3.02Å; Y399-E401 PolarHBondContact O-N 3Å
400	G	97.1	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	75	3	-179.1	0	0	0	0	0	114.1	F371 V372 T396 T397	F371-G400 CarbonylContact C-O 3.49Å; F371-G400 WeakPolarHBondContact CA-O 3.41Å; V372-G400 PolarHBondContact N-O 3.45Å; T396-G400 VanDerWaalsContact CG2-O 3.3Å; T396-G400 WeakPolarHBondContact CG2-O 3.13Å; T397-G400 PolarHBondContact O-N 3.03Å
401	E	97.3	Very high	96.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	149.7	-175.4	-54.7	154.6	106.3	0	0	111.8	H119 V121 G122 G370 F371 T396 T397 Y399 W403	H119-E401 IonicContact CD2-OE1 3.25Å; H119-E401 IonicContact CD2-OE2 3.63Å; H119-E401 IonicContact CE1-OE1 2.76Å; H119-E401 IonicContact CE1-OE2 2.92Å; H119-E401 VanDerWaalsContact NE2-CD 3.31Å; H119-E401 IonicContact NE2-OE1 2.72Å; H119-E401 PolarHBondContact NE2-OE1 3.13Å; H119-E401 IonicContact NE2-OE2 3.87Å; H119-E401 PolarHBondContact NE2-OE2 2.03Å; V121-E401 VanDerWaalsContact CA-OE1 3.23Å; V121-E401 WeakPolarHBondContact CA-OE1 3.48Å; V121-E401 HydrophobicContact CG1-CG 4.38Å; G122-E401 PolarHBondContact N-OE1 3.03Å; G370-E401 CarbonylContact O-C 3.28Å; G370-E401 VanDerWaalsContact O-CA 3.28Å; G370-E401 WeakPolarHBondContact O-CA 3.28Å; F371-E401 HydrophobicContact CD1-CG 3.95Å; F371-E401 HydrophobicContact CE1-CB 4.46Å; F371-E401 HydrophobicContact CE1-CG 3.45Å; F371-E401 VanDerWaalsContact CE1-CG 3.45Å; F371-E401 HydrophobicContact CZ-CG 4.07Å; T396-E401 CarbonylContact C-O 3.55Å; T396-E401 WeakPolarHBondContact CA-O 3.38Å; T396-E401 WeakPolarHBondContact CB-O 3.28Å; T397-E401 WeakPolarHBondContact CB-OE2 3.29Å; T397-E401 HydrophobicContact CG2-CB 3.97Å; T397-E401 WeakPolarHBondContact CG2-OE2 3.46Å; T397-E401 PolarHBondContact N-O 3.22Å; T397-E401 WeakPolarHBondContact OG1-CB 3.44Å; T397-E401 PolarHBondContact OG1-N 3.24Å; T397-E401 PolarHBondContact OG1-OE2 3.22Å; Y399-E401 WeakPolarHBondContact CD2-OE2 3.02Å; Y399-E401 PolarHBondContact O-N 3Å; E401-W403 HydrophobicContact CB-CH2 3.58Å; E401-W403 HydrophobicContact CB-CZ2 4.17Å; E401-W403 HydrophobicContact CB-CZ3 3.86Å; E401-W403 HydrophobicContact CG-CH2 4.13Å; E401-W403 WeakPolarHBondContact OE1-CH2 3.5Å
402	F	97.4	Very high	96.8	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.7	165.6	68.7	-87.6	0	0	0	111.9	V368 Q369 G370 V372 I385 F394 T396 L437	V368-F402 HydrophobicContact CG1-CE2 4.23Å; V368-F402 HydrophobicContact CG2-CE2 4.01Å; V368-F402 HydrophobicContact CG2-CZ 4.49Å; Q369-F402 CarbonylContact C-O 3.54Å; Q369-F402 WeakPolarHBondContact CA-O 3.26Å; G370-F402 VanDerWaalsContact C-CE1 3.47Å; G370-F402 PolarHBondContact N-O 3.33Å; G370-F402 VanDerWaalsContact O-CD1 3.31Å; G370-F402 WeakPolarHBondContact O-CD1 3.47Å; G370-F402 PolarHBondContact O-N 3.41Å; V372-F402 HydrophobicContact CG2-CD1 4.05Å; V372-F402 HydrophobicContact CG2-CE1 4.16Å; I385-F402 HydrophobicContact CD1-CB 3.45Å; I385-F402 VanDerWaalsContact CD1-CB 3.45Å; I385-F402 HydrophobicContact CD1-CD1 3.63Å; I385-F402 HydrophobicContact CD1-CD2 4.06Å; I385-F402 HydrophobicContact CD1-CE1 4.37Å; I385-F402 HydrophobicContact CD1-CG 3.43Å; I385-F402 VanDerWaalsContact CD1-CG 3.43Å; F394-F402 HydrophobicContact CD2-CB 4.4Å; F394-F402 HydrophobicContact CE2-CB 4.09Å; F394-F402 AromaticContact CE2-CD2 3.91Å; F394-F402 HydrophobicContact CE2-CD2 3.91Å; F394-F402 HydrophobicContact CE2-CG 4.34Å; T396-F402 HydrophobicContact CG2-CB 4.3Å; T396-F402 HydrophobicContact CG2-CD1 4.44Å; F402-L437 WeakPolarHBondContact CE1-O 3.07Å; F402-L437 HydrophobicContact CZ-CB 4.32Å; F402-L437 VanDerWaalsContact CZ-O 3.3Å; F402-L437 WeakPolarHBondContact CZ-O 3.38Å
403	W	97.6	Very high	96.9	Very high	19 Å²	19	36.9 Å²	36.9	7%	0.072	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.2	170.9	-57.4	-99.2	0	0	0	109	H119 P124 V234 V368 Q369 T397 E401	H119-W403 AromaticContact CE1-CH2 3.95Å; P124-W403 HydrophobicContact CB-CD2 4.15Å; P124-W403 HydrophobicContact CB-CG 4.22Å; V234-W403 HydrophobicContact CB-CB 4.38Å; V234-W403 HydrophobicContact CG1-CB 3.74Å; V234-W403 HydrophobicContact CG2-CB 3.66Å; V234-W403 HydrophobicContact CG2-CD2 3.92Å; V234-W403 HydrophobicContact CG2-CE3 3.81Å; V234-W403 HydrophobicContact CG2-CG 3.86Å; V368-W403 CarbonylContact O-C 3.5Å; V368-W403 WeakPolarHBondContact O-CA 3.1Å; Q369-W403 VanDerWaalsContact CB-CD1 3.42Å; Q369-W403 HydrophobicContact CB-CG 4.11Å; T397-W403 HydrophobicContact CG2-CH2 4.25Å; T397-W403 HydrophobicContact CG2-CZ3 3.75Å; E401-W403 HydrophobicContact CB-CH2 3.58Å; E401-W403 HydrophobicContact CB-CZ2 4.17Å; E401-W403 HydrophobicContact CB-CZ3 3.86Å; E401-W403 HydrophobicContact CG-CH2 4.13Å; E401-W403 WeakPolarHBondContact OE1-CH2 3.5Å
404	R	97.5	Very high	97.1	Very high	6 Å²	6	37.8 Å²	37.8	2%	0.023	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.6	167.8	-173.7	59.2	168.1	-139.1	-11	110.6	D270 G327 G367 V368 I387 V392 F394 L406	D270-R404 VanDerWaalsContact CG-NH2 3.27Å; D270-R404 IonicContact OD1-CZ 3.87Å; D270-R404 IonicContact OD1-NE 3.85Å; D270-R404 PolarHBondContact OD1-NE 3.21Å; D270-R404 IonicContact OD1-NH2 2.75Å; D270-R404 PolarHBondContact OD1-NH2 3.27Å; D270-R404 IonicContact OD2-CZ 2.91Å; D270-R404 IonicContact OD2-NH2 2.62Å; D270-R404 PolarHBondContact OD2-NH2 2.99Å; G327-R404 PolarHBondContact O-NH1 3.35Å; G367-R404 WeakPolarHBondContact CA-O 3.02Å; V368-R404 HydrophobicContact CG1-CB 3.95Å; V368-R404 PolarHBondContact N-O 3.05Å; V368-R404 PolarHBondContact O-N 3.11Å; I387-R404 HydrophobicContact CG1-CG 4.2Å; V392-R404 PolarHBondContact O-NH2 3.32Å; F394-R404 HydrophobicContact CE1-CB 3.91Å; F394-R404 HydrophobicContact CE1-CG 3.76Å; F394-R404 HydrophobicContact CE2-CB 4.11Å; F394-R404 HydrophobicContact CZ-CB 3.55Å; F394-R404 HydrophobicContact CZ-CG 3.94Å; R404-L406 HydrophobicContact CG-CD2 4.25Å; R404-L406 HydrophobicContact CG-CG 4.1Å; R404-L406 PolarHBondContact O-N 2.97Å
405	I	97.7	Very high	97.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	17%	0.174	C	C	.	.			trans	-63.8	125.9	173.3	-51.6	175.9	0	0	0	108.4	V234 L235 V273 L277 M329 E363 R366	V234-I405 HydrophobicContact CG1-CD1 4.31Å; V234-I405 HydrophobicContact CG1-CG1 4.1Å; L235-I405 HydrophobicContact CB-CD1 4.13Å; L235-I405 HydrophobicContact CD1-CD1 3.74Å; L235-I405 HydrophobicContact CG-CD1 4.35Å; V273-I405 HydrophobicContact CG1-CB 4.07Å; V273-I405 HydrophobicContact CG1-CG2 3.56Å; L277-I405 HydrophobicContact CD2-CD1 4.41Å; M329-I405 HydrophobicContact CE-CB 4.44Å; M329-I405 HydrophobicContact SD-CB 3.83Å; M329-I405 HydrophobicContact SD-CD1 4.24Å; M329-I405 HydrophobicContact SD-CG1 4.41Å; M329-I405 HydrophobicContact SD-CG2 4.49Å; E363-I405 WeakPolarHBondContact O-CD1 3.01Å; R366-I405 HydrophobicContact CB-CG2 4.16Å; R366-I405 HydrophobicContact CG-CG2 4.15Å; R366-I405 WeakPolarHBondContact O-CA 3.4Å
406	L	97.6	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.			trans	-146	147.8	-177.9	-70.7	175.8	0	0	0	109.4	R366 V368 I387 R404 Y411 F427 I429	R366-L406 VanDerWaalsContact CD-O 3.24Å; R366-L406 WeakPolarHBondContact CD-O 3.11Å; R366-L406 WeakPolarHBondContact CG-O 3.44Å; V368-L406 HydrophobicContact CG1-CD1 4.04Å; I387-L406 HydrophobicContact CD1-CD1 4.26Å; I387-L406 HydrophobicContact CG1-CD1 4.35Å; I387-L406 HydrophobicContact CG1-CD2 4.48Å; R404-L406 HydrophobicContact CG-CD2 4.25Å; R404-L406 HydrophobicContact CG-CG 4.1Å; R404-L406 PolarHBondContact O-N 2.97Å; L406-Y411 HydrophobicContact CB-CE2 4.21Å; L406-Y411 HydrophobicContact CD1-CD1 4.11Å; L406-Y411 HydrophobicContact CD1-CD2 4.18Å; L406-Y411 HydrophobicContact CD1-CE1 4.19Å; L406-Y411 HydrophobicContact CD1-CE2 4.27Å; L406-Y411 HydrophobicContact CD1-CG 4.09Å; L406-Y411 HydrophobicContact CD2-CD1 4.42Å; L406-Y411 HydrophobicContact CD2-CE1 3.88Å; L406-Y411 HydrophobicContact CG-CE1 4.45Å; L406-F427 HydrophobicContact CD1-CE2 3.79Å; L406-F427 HydrophobicContact CD1-CZ 3.71Å; L406-I429 HydrophobicContact CB-CG1 3.98Å; L406-I429 HydrophobicContact CD1-CG1 4.32Å
407	L	97.2	Very high	97.3	Very high	37 Å²	37	39.6 Å²	39.6	19%	0.194	18%	0.183	C	C	.	.			trans	-80.1	163.1	172.7	-59	-170	0	0	0	111.1	D272 V273 H276 G409 Y411	D272-L407 HydrophobicContact CB-CD1 3.99Å; V273-L407 HydrophobicContact CG2-CD2 4.5Å; V273-L407 HydrophobicContact CG2-CG 4.04Å; H276-L407 HydrophobicContact CB-CD1 4.27Å; H276-L407 HydrophobicContact CB-CD2 3.82Å; L407-G409 PolarHBondContact O-N 2.95Å; L407-Y411 VanDerWaalsContact O-CE2 3.24Å; L407-Y411 WeakPolarHBondContact O-CE2 3.48Å; L407-Y411 PolarHBondContact O-OH 2.64Å
408	P	97.4	Very high	97.2	Very high	60 Å²	60	47.5 Å²	47.5	39%	0.39	22%	0.219	S	C	.	.	S	Bend	trans	-53.5	133.1	176.5	-25.4	34.9	0	0	0	112.4	I429 E431	P408-I429 VanDerWaalsContact CA-O 3.3Å; P408-I429 WeakPolarHBondContact CA-O 3.48Å; P408-E431 HydrophobicContact CB-CG 4.42Å; P408-E431 HydrophobicContact CG-CG 3.68Å
409	G	96.6	Very high	97.2	Very high	21 Å²	21	44.3 Å²	44.3	22%	0.216	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	179.1	-172.5	0	0	0	0	0	114.3	L407 Y411 V428 I429	L407-G409 PolarHBondContact O-N 2.95Å; G409-Y411 WeakPolarHBondContact O-CD2 3.46Å; G409-V428 WeakPolarHBondContact O-CA 3.14Å; G409-I429 PolarHBondContact N-O 2.83Å; G409-I429 PolarHBondContact O-N 3.4Å
410	Y	97.4	Very high	97.2	Very high	204 Å²	204	42.4 Å²	42.4	80%	0.8	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.7	178.6	-64.9	-96.6	0	0	0	109.5	V428	Y410-V428 HydrophobicContact CD1-CG1 4.35Å; Y410-V428 HydrophobicContact CD1-CG2 3.61Å; Y410-V428 HydrophobicContact CE1-CG1 4.19Å; Y410-V428 HydrophobicContact CE1-CG2 3.65Å
411	Y	98.2	Very high	97.2	Very high	34 Å²	34	43 Å²	43	13%	0.133	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	161.8	-171.9	-64.1	-86.1	0	0	0	111.7	I387 L406 L407 G409 E426 F427 I429	I387-Y411 HydrophobicContact CG2-CD1 3.79Å; L406-Y411 HydrophobicContact CB-CE2 4.21Å; L406-Y411 HydrophobicContact CD1-CD1 4.11Å; L406-Y411 HydrophobicContact CD1-CD2 4.18Å; L406-Y411 HydrophobicContact CD1-CE1 4.19Å; L406-Y411 HydrophobicContact CD1-CE2 4.27Å; L406-Y411 HydrophobicContact CD1-CG 4.09Å; L406-Y411 HydrophobicContact CD2-CD1 4.42Å; L406-Y411 HydrophobicContact CD2-CE1 3.88Å; L406-Y411 HydrophobicContact CG-CE1 4.45Å; L407-Y411 VanDerWaalsContact O-CE2 3.24Å; L407-Y411 WeakPolarHBondContact O-CE2 3.48Å; L407-Y411 PolarHBondContact O-OH 2.64Å; G409-Y411 WeakPolarHBondContact O-CD2 3.46Å; Y411-E426 WeakPolarHBondContact O-CA 3.49Å; Y411-F427 HydrophobicContact CD2-CE2 4.11Å; Y411-F427 HydrophobicContact CD2-CZ 4.43Å; Y411-F427 HydrophobicContact CG-CE2 4.16Å; Y411-F427 HydrophobicContact CG-CZ 4.02Å; Y411-F427 PolarHBondContact N-O 2.65Å; Y411-F427 PolarHBondContact O-N 2.97Å; Y411-F427 VanDerWaalsContact O-O 3.14Å; Y411-I429 HydrophobicContact CD2-CB 4.46Å; Y411-I429 HydrophobicContact CD2-CG1 3.77Å; Y411-I429 HydrophobicContact CE2-CB 4.08Å; Y411-I429 HydrophobicContact CE2-CG1 3.65Å
412	K	98.2	Very high	97.1	Very high	61 Å²	61	47.8 Å²	47.8	27%	0.265	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.6	168.9	-165.5	173.9	-55.3	-148.2	0	108.8	K388 E424 V425 E426	K388-K412 HydrophobicContact CB-CB 4.06Å; K388-K412 WeakPolarHBondContact CB-O 3.36Å; K388-K412 HydrophobicContact CD-CB 4.41Å; K388-K412 HydrophobicContact CD-CD 3.9Å; K388-K412 HydrophobicContact CD-CG 4.44Å; K388-K412 PolarHBondContact N-O 2.81Å; K412-E424 HydrophobicContact CD-CB 3.97Å; K412-E424 WeakPolarHBondContact CD-OE2 3.49Å; K412-E424 HydrophobicContact CG-CB 4.21Å; K412-V425 CarbonylContact C-O 3.56Å; K412-V425 WeakPolarHBondContact CA-O 3.32Å; K412-E426 HydrophobicContact CB-CG 4.37Å; K412-E426 HydrophobicContact CD-CG 4.18Å; K412-E426 VanDerWaalsContact CE-CG 3.44Å; K412-E426 WeakPolarHBondContact CE-OE1 3.35Å; K412-E426 HydrophobicContact CG-CG 4.04Å; K412-E426 IonicContact NZ-OE1 3.01Å; K412-E426 PolarHBondContact NZ-OE1 3.13Å
413	V	97.9	Very high	97.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.8	173.4	63.8	0	0	0	0	109.3	I385 K386 I387 V415 E424 V425 F427 L437	I385-V413 HydrophobicContact CG2-CG2 3.28Å; K386-V413 WeakPolarHBondContact O-CA 3.33Å; I387-V413 HydrophobicContact CD1-CB 4.21Å; I387-V413 HydrophobicContact CD1-CG2 4.19Å; V413-V415 HydrophobicContact CG1-CG2 4.31Å; V413-V415 HydrophobicContact CG2-CG2 3.81Å; V413-E424 CarbonylContact O-C 3.53Å; V413-E424 VanDerWaalsContact O-CA 3.27Å; V413-E424 WeakPolarHBondContact O-CA 3.39Å; V413-V425 HydrophobicContact CG1-CB 3.9Å; V413-V425 PolarHBondContact N-O 3.01Å; V413-V425 PolarHBondContact O-N 3.05Å; V413-F427 HydrophobicContact CB-CD1 4.39Å; V413-F427 HydrophobicContact CB-CE1 3.82Å; V413-F427 HydrophobicContact CG1-CD1 4.27Å; V413-F427 HydrophobicContact CG1-CE1 4.19Å; V413-L437 HydrophobicContact CG1-CD2 3.71Å
414	E	97.9	Very high	97.1	Very high	49 Å²	49	56.3 Å²	56.3	23%	0.229	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.1	174	-53.7	179.6	121.8	0	0	106.9	I385 K386 K388 E424	I385-E414 WeakPolarHBondContact CA-O 3.21Å; K386-E414 HydrophobicContact CB-CB 4.42Å; K386-E414 PolarHBondContact N-O 2.95Å; K386-E414 PolarHBondContact O-N 2.04Å; K388-E414 HydrophobicContact CB-CG 3.98Å; K388-E414 HydrophobicContact CD-CG 4.46Å; K388-E414 HydrophobicContact CG-CG 4.23Å; K388-E414 WeakPolarHBondContact CG-OE1 2.93Å; K388-E414 IonicContact NZ-OE1 3.29Å; K388-E414 PolarHBondContact NZ-OE1 2.93Å; E414-E424 HydrophobicContact CG-CG 4.36Å
415	V	98.2	Very high	97.1	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.6	-176.9	-172.6	0	0	0	0	110.1	V372 A383 I385 V413 P422 R423 V439 L441	V372-V415 HydrophobicContact CG1-CG1 3.97Å; V372-V415 HydrophobicContact CG2-CG1 4Å; A383-V415 HydrophobicContact CB-CG1 4.32Å; I385-V415 HydrophobicContact CG1-CG1 4.3Å; I385-V415 HydrophobicContact CG1-CG2 4.42Å; I385-V415 HydrophobicContact CG2-CG2 4.43Å; V413-V415 HydrophobicContact CG1-CG2 4.31Å; V413-V415 HydrophobicContact CG2-CG2 3.81Å; V415-P422 WeakPolarHBondContact O-CA 3.27Å; V415-R423 PolarHBondContact N-O 2.76Å; V415-R423 PolarHBondContact O-N 3Å; V415-V439 HydrophobicContact CB-CG1 4.35Å; V415-V439 HydrophobicContact CG2-CG1 4.12Å; V415-V439 HydrophobicContact CG2-CG2 4.41Å; V415-L441 HydrophobicContact CB-CD2 4.19Å; V415-L441 HydrophobicContact CG1-CD1 4.11Å; V415-L441 HydrophobicContact CG1-CD2 3.97Å; V415-L441 HydrophobicContact CG1-CG 4.38Å
416	F	97.6	Very high	97.1	Very high	110 Å²	110	63.7 Å²	63.7	48%	0.482	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.9	-179.8	170.9	-99.5	0	0	0	111.3	A383 S384 P422	A383-F416 CarbonylContact C-O 3.47Å; A383-F416 WeakPolarHBondContact CA-O 3.37Å; S384-F416 PolarHBondContact N-O 3.33Å; S384-F416 PolarHBondContact O-N 3.11Å; F416-P422 HydrophobicContact CD2-CG 4.16Å
417	A	97.6	Very high	97.1	Very high	8 Å²	8	64.4 Å²	64.4	7%	0.066	33%	0.325	C	S	.	.			trans	-142.2	151.1	169.1	0	0	0	0	0	110.1	I380 A383 G419 F420 L441	I380-A417 HydrophobicContact CG2-CB 3.68Å; A383-A417 HydrophobicContact CB-CB 4.11Å; A417-G419 PolarHBondContact O-N 3.26Å; A417-F420 HydrophobicContact CB-CB 4.31Å; A417-F420 HydrophobicContact CB-CD2 3.84Å; A417-F420 HydrophobicContact CB-CG 4.39Å; A417-F420 PolarHBondContact O-N 3.33Å; A417-F420 VanDerWaalsContact O-N 3.13Å; A417-L441 HydrophobicContact CB-CD1 3.63Å
418	E	94.8	Very high	97.1	Very high	185 Å²	185	65.5 Å²	65.5	86%	0.864	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	134.5	179.3	-172.1	172.8	175.4	0	0	111.2	F420	E418-F420 WeakPolarHBondContact O-CD2 3.37Å; E418-F420 PolarHBondContact O-N 3.13Å
419	G	94.6	Very high	97.1	Very high	51 Å²	51	62.9 Å²	62.9	53%	0.526	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-2.3	-174.5	0	0	0	0	0	115.2	A417 P443 S444	A417-G419 PolarHBondContact O-N 3.26Å; G419-P443 WeakPolarHBondContact O-CA 3.31Å; G419-S444 PolarHBondContact O-N 3.02Å; G419-S444 PolarHBondContact O-OG 2.91Å; G419-S444 VanDerWaalsContact O-OG 3.12Å
420	F	96.6	Very high	96.8	Very high	37 Å²	37	66 Å²	66	16%	0.162	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-112.4	155	177.5	-67.4	-90	0	0	0	113	D374 I380 A417 E418 L441 Q442 P443 S444	D374-F420 HydrophobicContact CB-CE1 3.81Å; D374-F420 HydrophobicContact CB-CZ 3.85Å; I380-F420 HydrophobicContact CD1-CD1 4.09Å; I380-F420 HydrophobicContact CD1-CD2 4.11Å; I380-F420 HydrophobicContact CD1-CE1 3.72Å; I380-F420 HydrophobicContact CD1-CE2 3.74Å; I380-F420 HydrophobicContact CD1-CG 4.28Å; I380-F420 HydrophobicContact CD1-CZ 3.54Å; I380-F420 HydrophobicContact CG1-CE2 4.35Å; I380-F420 HydrophobicContact CG1-CZ 4.22Å; A417-F420 HydrophobicContact CB-CB 4.31Å; A417-F420 HydrophobicContact CB-CD2 3.84Å; A417-F420 HydrophobicContact CB-CG 4.39Å; A417-F420 PolarHBondContact O-N 3.33Å; A417-F420 VanDerWaalsContact O-N 3.13Å; E418-F420 WeakPolarHBondContact O-CD2 3.37Å; E418-F420 PolarHBondContact O-N 3.13Å; F420-L441 HydrophobicContact CB-CB 3.93Å; F420-L441 HydrophobicContact CB-CD1 4.01Å; F420-L441 HydrophobicContact CD1-CB 3.52Å; F420-L441 HydrophobicContact CE1-CB 4.28Å; F420-L441 HydrophobicContact CG-CB 3.88Å; F420-L441 HydrophobicContact CG-CD1 4.23Å; F420-Q442 WeakPolarHBondContact CA-O 3.31Å; F420-P443 HydrophobicContact CD1-CG 4.34Å; F420-P443 HydrophobicContact CE1-CG 4.02Å; F420-S444 WeakPolarHBondContact CA-OG 3.22Å; F420-S444 PolarHBondContact N-OG 2.92Å; F420-S444 PolarHBondContact O-OG 3.09Å; F420-S444 VanDerWaalsContact O-OG 3.06Å
421	A	95.8	Very high	96	Very high	14 Å²	14	62.5 Å²	62.5	12%	0.116	32%	0.321	C	S	.	.			trans	-71.1	134.6	168	0	0	0	0	0	109.8	Q442 S444 L447	A421-Q442 WeakPolarHBondContact CB-O 3.42Å; A421-Q442 PolarHBondContact N-O 3.31Å; A421-S444 PolarHBondContact N-OG 3.25Å; A421-L447 HydrophobicContact CB-CD1 3.58Å; A421-L447 HydrophobicContact CB-CG 4.43Å
422	P	95.9	Very high	94.7	Very high	101 Å²	101	69 Å²	69	66%	0.656	35%	0.353	S	S	*	.			trans	-58	141.1	170.7	-16.9	27.3	0	0	0	110.6	V415 F416	V415-P422 WeakPolarHBondContact O-CA 3.27Å; F416-P422 HydrophobicContact CD2-CG 4.16Å
423	R	97.1	Very high	93.8	Very high	101 Å²	101	72.1 Å²	72.1	38%	0.381	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.7	177.8	-173.6	171.8	173.5	179.8	-2.3	110.8	V415 V425 V439 T440 L441	V415-R423 PolarHBondContact N-O 2.76Å; V415-R423 PolarHBondContact O-N 3Å; R423-V425 HydrophobicContact CG-CG2 3.93Å; R423-V439 HydrophobicContact CG-CG1 4.38Å; R423-T440 VanDerWaalsContact CD-O 3.28Å; R423-T440 WeakPolarHBondContact CD-O 3.22Å; R423-T440 PolarHBondContact NH1-O 3.1Å; R423-L441 HydrophobicContact CB-CD2 3.65Å
424	E	97.5	Very high	93.3	Very high	98 Å²	98	74 Å²	74	46%	0.458	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.9	165.8	-58.2	-169.4	-156.4	0	0	109.8	K388 K412 V413 E414	K388-E424 WeakPolarHBondContact CE-OE2 3.32Å; K388-E424 IonicContact NZ-OE1 3.83Å; K388-E424 PolarHBondContact NZ-OE1 3.31Å; K388-E424 IonicContact NZ-OE2 3.78Å; K388-E424 PolarHBondContact NZ-OE2 2.78Å; K412-E424 HydrophobicContact CD-CB 3.97Å; K412-E424 WeakPolarHBondContact CD-OE2 3.49Å; K412-E424 HydrophobicContact CG-CB 4.21Å; V413-E424 CarbonylContact O-C 3.53Å; V413-E424 VanDerWaalsContact O-CA 3.27Å; V413-E424 WeakPolarHBondContact O-CA 3.39Å; E414-E424 HydrophobicContact CG-CG 4.36Å
425	V	98	Very high	93.1	Very high	23 Å²	23	73.1 Å²	73.1	14%	0.139	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.3	175.4	-169	0	0	0	0	110.2	K412 V413 R423 L437 V439	K412-V425 CarbonylContact C-O 3.56Å; K412-V425 WeakPolarHBondContact CA-O 3.32Å; V413-V425 HydrophobicContact CG1-CB 3.9Å; V413-V425 PolarHBondContact N-O 3.01Å; V413-V425 PolarHBondContact O-N 3.05Å; R423-V425 HydrophobicContact CG-CG2 3.93Å; V425-L437 HydrophobicContact CG1-CD1 3.98Å; V425-V439 HydrophobicContact CG2-CG1 3.98Å; V425-V439 HydrophobicContact CG2-CG2 4.14Å
426	E	98.1	Very high	93	Very high	141 Å²	141	78.6 Å²	78.6	66%	0.659	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	141.1	175.1	-73.8	173	-179.5	0	0	111	Y411 K412	Y411-E426 WeakPolarHBondContact O-CA 3.49Å; K412-E426 HydrophobicContact CB-CG 4.37Å; K412-E426 HydrophobicContact CD-CG 4.18Å; K412-E426 VanDerWaalsContact CE-CG 3.44Å; K412-E426 WeakPolarHBondContact CE-OE1 3.35Å; K412-E426 HydrophobicContact CG-CG 4.04Å; K412-E426 IonicContact NZ-OE1 3.01Å; K412-E426 PolarHBondContact NZ-OE1 3.13Å
427	F	97.4	Very high	93	Very high	14 Å²	14	74.3 Å²	74.3	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.4	178.2	68.3	-80.9	0	0	0	111.2	V368 I387 L406 Y411 V413 I429 L437	V368-F427 HydrophobicContact CB-CD2 4.15Å; V368-F427 HydrophobicContact CB-CE2 3.64Å; V368-F427 HydrophobicContact CB-CZ 4.19Å; V368-F427 HydrophobicContact CG1-CE2 3.83Å; V368-F427 HydrophobicContact CG1-CZ 3.89Å; V368-F427 HydrophobicContact CG2-CD2 4.13Å; V368-F427 HydrophobicContact CG2-CE2 4.02Å; V368-F427 HydrophobicContact CG2-CZ 4.48Å; I387-F427 HydrophobicContact CD1-CE1 4.25Å; I387-F427 HydrophobicContact CD1-CZ 3.95Å; L406-F427 HydrophobicContact CD1-CE2 3.79Å; L406-F427 HydrophobicContact CD1-CZ 3.71Å; Y411-F427 HydrophobicContact CD2-CE2 4.11Å; Y411-F427 HydrophobicContact CD2-CZ 4.43Å; Y411-F427 HydrophobicContact CG-CE2 4.16Å; Y411-F427 HydrophobicContact CG-CZ 4.02Å; Y411-F427 PolarHBondContact N-O 2.65Å; Y411-F427 PolarHBondContact O-N 2.97Å; Y411-F427 VanDerWaalsContact O-O 3.14Å; V413-F427 HydrophobicContact CB-CD1 4.39Å; V413-F427 HydrophobicContact CB-CE1 3.82Å; V413-F427 HydrophobicContact CG1-CD1 4.27Å; V413-F427 HydrophobicContact CG1-CE1 4.19Å; F427-I429 HydrophobicContact CD2-CD1 3.84Å; F427-I429 HydrophobicContact CD2-CG1 4.39Å; F427-I429 HydrophobicContact CE2-CD1 3.65Å; F427-I429 HydrophobicContact CE2-CG1 4.02Å; F427-L437 HydrophobicContact CB-CD1 4.31Å; F427-L437 HydrophobicContact CB-CD2 4Å; F427-L437 HydrophobicContact CD1-CD2 3.67Å; F427-L437 HydrophobicContact CE1-CD2 4.27Å; F427-L437 HydrophobicContact CG-CD2 3.83Å
428	V	96.8	Very high	93	Very high	60 Å²	60	77.9 Å²	77.9	36%	0.364	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.1	179.9	-171.9	0	0	0	0	108.7	G409 Y410 T435	G409-V428 WeakPolarHBondContact O-CA 3.14Å; Y410-V428 HydrophobicContact CD1-CG1 4.35Å; Y410-V428 HydrophobicContact CD1-CG2 3.61Å; Y410-V428 HydrophobicContact CE1-CG1 4.19Å; Y410-V428 HydrophobicContact CE1-CG2 3.65Å; V428-T435 WeakPolarHBondContact O-CG2 3.37Å; V428-T435 PolarHBondContact O-OG1 2.93Å
429	I	96.2	Very high	93.1	Very high	5 Å²	5	69 Å²	69	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.9	165.8	-57.4	-51.8	0	0	0	108.3	G367 V368 L406 P408 G409 Y411 F427	G367-I429 VanDerWaalsContact O-CD1 3.26Å; G367-I429 WeakPolarHBondContact O-CD1 3.48Å; V368-I429 HydrophobicContact CB-CD1 4.07Å; L406-I429 HydrophobicContact CB-CG1 3.98Å; L406-I429 HydrophobicContact CD1-CG1 4.32Å; P408-I429 VanDerWaalsContact CA-O 3.3Å; P408-I429 WeakPolarHBondContact CA-O 3.48Å; G409-I429 PolarHBondContact N-O 2.83Å; G409-I429 PolarHBondContact O-N 3.4Å; Y411-I429 HydrophobicContact CD2-CB 4.46Å; Y411-I429 HydrophobicContact CD2-CG1 3.77Å; Y411-I429 HydrophobicContact CE2-CB 4.08Å; Y411-I429 HydrophobicContact CE2-CG1 3.65Å; F427-I429 HydrophobicContact CD2-CD1 3.84Å; F427-I429 HydrophobicContact CD2-CG1 4.39Å; F427-I429 HydrophobicContact CE2-CD1 3.65Å; F427-I429 HydrophobicContact CE2-CG1 4.02Å
430	V	90.8	Very high	93.3	Very high	86 Å²	86	69 Å²	69	52%	0.521	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-100.7	171.7	170.2	-65	0	0	0	0	109.9
431	E	81.4	Confident	93.3	Very high	131 Å²	131	67.2 Å²	67.2	61%	0.612	35%	0.347	S	S	*	.	S	Bend	trans	-72	162	171.9	-67	-162.7	148.3	0	0	112.5	P408 H433	P408-E431 HydrophobicContact CB-CG 4.42Å; P408-E431 HydrophobicContact CG-CG 3.68Å; E431-H433 PolarHBondContact O-N 3.2Å
432	Q	71.1	Confident	93.3	Very high	171 Å²	171	71 Å²	71	80%	0.799	36%	0.362	S	S	*	.	S	Bend	trans	68.9	-24	169.1	-53.1	172.9	21.5	0	0	117.3
433	H	78.6	Confident	93.2	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.588	34%	0.342	S	S	*	.	S	Bend	trans	-134	143.6	-176.5	-59.1	86.2	0	0	0	112.6	E431	E431-H433 PolarHBondContact O-N 3.2Å
434	P	87.8	Confident	92.8	Very high	39 Å²	39	65.3 Å²	65.3	25%	0.253	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-74.6	136.2	172.3	29.6	-31.4	0	0	0	111.1	H365 G367 Q369 L436	H365-P434 WeakPolarHBondContact O-CB 3.41Å; H365-P434 VanDerWaalsContact O-CD 3.29Å; H365-P434 WeakPolarHBondContact O-CD 3.27Å; H365-P434 VanDerWaalsContact O-CG 3.32Å; H365-P434 WeakPolarHBondContact O-CG 3.44Å; G367-P434 CarbonylContact O-C 3.57Å; G367-P434 VanDerWaalsContact O-CA 3.22Å; G367-P434 WeakPolarHBondContact O-CA 3.25Å; Q369-P434 HydrophobicContact CG-CB 4.26Å; P434-L436 PolarHBondContact O-N 3.01Å
435	T	94.5	Very high	91.5	Very high	31 Å²	31	69.4 Å²	69.4	19%	0.19	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121	174.6	-62.9	0	0	0	0	109.7	G367 V368 Q369 V428	G367-T435 PolarHBondContact O-N 3.26Å; V368-T435 WeakPolarHBondContact CA-O 3.44Å; V368-T435 WeakPolarHBondContact CG2-O 3.45Å; Q369-T435 PolarHBondContact N-O 3.3Å; Q369-T435 VanDerWaalsContact O-O 3.13Å; V428-T435 WeakPolarHBondContact O-CG2 3.37Å; V428-T435 PolarHBondContact O-OG1 2.93Å
436	L	95.6	Very high	89.5	Confident	117 Å²	117	75.7 Å²	75.7	61%	0.613	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.7	172.7	-176.4	65.3	0	0	0	110.2	Q369 P434	Q369-L436 CarbonylContact O-C 3.6Å; Q369-L436 VanDerWaalsContact O-CA 3.3Å; Q369-L436 WeakPolarHBondContact O-CA 3.39Å; P434-L436 PolarHBondContact O-N 3.01Å
437	L	96.7	Very high	87.3	Confident	20 Å²	20	73.9 Å²	73.9	11%	0.105	37%	0.373	C	S	.	.			trans	-134.5	105.2	-175.8	-176.2	64.8	0	0	0	111.9	V368 Q369 G370 F371 F402 V413 V425 F427 V439	V368-L437 HydrophobicContact CG2-CB 3.55Å; V368-L437 HydrophobicContact CG2-CD2 3.89Å; V368-L437 HydrophobicContact CG2-CG 4.38Å; Q369-L437 PolarHBondContact O-N 2.98Å; G370-L437 WeakPolarHBondContact CA-O 3.29Å; F371-L437 PolarHBondContact N-O 2.8Å; F402-L437 WeakPolarHBondContact CE1-O 3.07Å; F402-L437 HydrophobicContact CZ-CB 4.32Å; F402-L437 VanDerWaalsContact CZ-O 3.3Å; F402-L437 WeakPolarHBondContact CZ-O 3.38Å; V413-L437 HydrophobicContact CG1-CD2 3.71Å; V425-L437 HydrophobicContact CG1-CD1 3.98Å; F427-L437 HydrophobicContact CB-CD1 4.31Å; F427-L437 HydrophobicContact CB-CD2 4Å; F427-L437 HydrophobicContact CD1-CD2 3.67Å; F427-L437 HydrophobicContact CE1-CD2 4.27Å; F427-L437 HydrophobicContact CG-CD2 3.83Å; L437-V439 HydrophobicContact CG-CG2 4.23Å
438	N	97.3	Very high	85	Confident	83 Å²	83	79.3 Å²	79.3	44%	0.444	41%	0.406	S	S	.	.			trans	-97.3	134.2	175.2	-67.9	-4.3	0	0	0	111.1	F371	F371-N438 WeakPolarHBondContact CD2-OD1 3.36Å; F371-N438 PolarHBondContact N-OD1 3.24Å; F371-N438 CarbonylContact O-C 3.51Å; F371-N438 WeakPolarHBondContact O-CA 3.11Å
439	V	97.9	Very high	82.6	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	107.2	-173.6	-174.5	0	0	0	0	110.5	F371 V372 F373 V415 R423 V425 L437 L441	F371-V439 PolarHBondContact O-N 3Å; V372-V439 WeakPolarHBondContact CA-O 3.47Å; F373-V439 PolarHBondContact N-O 2.76Å; V415-V439 HydrophobicContact CB-CG1 4.35Å; V415-V439 HydrophobicContact CG2-CG1 4.12Å; V415-V439 HydrophobicContact CG2-CG2 4.41Å; R423-V439 HydrophobicContact CG-CG1 4.38Å; V425-V439 HydrophobicContact CG2-CG1 3.98Å; V425-V439 HydrophobicContact CG2-CG2 4.14Å; L437-V439 HydrophobicContact CG-CG2 4.23Å; V439-L441 HydrophobicContact CG1-CD2 4.2Å
440	T	97.8	Very high	80.3	Confident	49 Å²	49	84.6 Å²	84.6	30%	0.301	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.5	170.3	-43.4	0	0	0	0	110.4	F373 D374 P375 R423	F373-T440 CarbonylContact O-C 3.52Å; F373-T440 VanDerWaalsContact O-CA 3.29Å; F373-T440 WeakPolarHBondContact O-CA 3.14Å; D374-T440 WeakPolarHBondContact O-CG2 3.35Å; P375-T440 HydrophobicContact CG-CG2 4.46Å; R423-T440 VanDerWaalsContact CD-O 3.28Å; R423-T440 WeakPolarHBondContact CD-O 3.22Å; R423-T440 PolarHBondContact NH1-O 3.1Å
441	L	97.4	Very high	77.9	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	46%	0.457	C	S	.	.			trans	-90.1	149	170.3	-61.2	-175.8	0	0	0	110.9	V372 F373 P375 I380 V415 A417 F420 R423 V439	V372-L441 HydrophobicContact CG1-CD1 3.84Å; V372-L441 HydrophobicContact CG1-CG 3.8Å; F373-L441 PolarHBondContact O-N 2.96Å; P375-L441 WeakPolarHBondContact CD-O 3.47Å; I380-L441 HydrophobicContact CD1-CB 3.89Å; I380-L441 HydrophobicContact CD1-CD1 3.9Å; I380-L441 HydrophobicContact CD1-CG 4.13Å; V415-L441 HydrophobicContact CB-CD2 4.19Å; V415-L441 HydrophobicContact CG1-CD1 4.11Å; V415-L441 HydrophobicContact CG1-CD2 3.97Å; V415-L441 HydrophobicContact CG1-CG 4.38Å; A417-L441 HydrophobicContact CB-CD1 3.63Å; F420-L441 HydrophobicContact CB-CB 3.93Å; F420-L441 HydrophobicContact CB-CD1 4.01Å; F420-L441 HydrophobicContact CD1-CB 3.52Å; F420-L441 HydrophobicContact CE1-CB 4.28Å; F420-L441 HydrophobicContact CG-CB 3.88Å; F420-L441 HydrophobicContact CG-CD1 4.23Å; R423-L441 HydrophobicContact CB-CD2 3.65Å; V439-L441 HydrophobicContact CG1-CD2 4.2Å
442	Q	95.9	Very high	75.8	Confident	94 Å²	94	83.3 Å²	83.3	44%	0.439	46%	0.463	S	S	.	.			trans	-105.3	131.9	178.3	-66.4	-63.3	-23.2	0	0	110	F420 A421 S444	F420-Q442 WeakPolarHBondContact CA-O 3.31Å; A421-Q442 WeakPolarHBondContact CB-O 3.42Å; A421-Q442 PolarHBondContact N-O 3.31Å; Q442-S444 PolarHBondContact O-N 2.65Å
443	P	93.6	Very high	74.2	Confident	35 Å²	35	80.5 Å²	80.5	23%	0.227	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-62	134.3	-179.3	-21.5	31.3	0	0	0	111.7	P375 G419 F420 K445 Y446	P375-P443 HydrophobicContact CG-CG 4.5Å; G419-P443 WeakPolarHBondContact O-CA 3.31Å; F420-P443 HydrophobicContact CD1-CG 4.34Å; F420-P443 HydrophobicContact CE1-CG 4.02Å; P443-K445 PolarHBondContact O-N 2.97Å; P443-Y446 HydrophobicContact CB-CD2 4.15Å; P443-Y446 HydrophobicContact CG-CD2 4.21Å; P443-Y446 HydrophobicContact CG-CE2 4.43Å; P443-Y446 PolarHBondContact O-N 2.85Å
444	S	87.8	Confident	72.1	Confident	48 Å²	48	80.2 Å²	80.2	34%	0.336	47%	0.47	S	S	.	.	H	α-helix	trans	-58.1	-25.7	-170.5	-41.2	0	0	0	0	113.5	G419 F420 A421 Q442 Y446 L447	G419-S444 PolarHBondContact O-N 3.02Å; G419-S444 PolarHBondContact O-OG 2.91Å; G419-S444 VanDerWaalsContact O-OG 3.12Å; F420-S444 WeakPolarHBondContact CA-OG 3.22Å; F420-S444 PolarHBondContact N-OG 2.92Å; F420-S444 PolarHBondContact O-OG 3.09Å; F420-S444 VanDerWaalsContact O-OG 3.06Å; A421-S444 PolarHBondContact N-OG 3.25Å; Q442-S444 PolarHBondContact O-N 2.65Å; S444-Y446 VanDerWaalsContact C-N 3.27Å; S444-Y446 PolarHBondContact O-N 2.78Å; S444-L447 PolarHBondContact O-N 2.7Å
445	K	70.1	Confident	69.6	Low	183 Å²	183	84.2 Å²	84.2	80%	0.796	49%	0.494	S	S	*	.	H	α-helix	trans	-63.3	-27.7	177.5	-66	-179.4	179.8	175.5	0	113.4	P443 V448	P443-K445 PolarHBondContact O-N 2.97Å; K445-V448 PolarHBondContact O-N 2.84Å
446	Y	56.8	Low	66.8	Low	156 Å²	156	89.1 Å²	89.1	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-69.5	-35.8	178	-84	-87.1	0	0	0	112.6	P443 S444 V448 A449 T450	P443-Y446 HydrophobicContact CB-CD2 4.15Å; P443-Y446 HydrophobicContact CG-CD2 4.21Å; P443-Y446 HydrophobicContact CG-CE2 4.43Å; P443-Y446 PolarHBondContact O-N 2.85Å; S444-Y446 VanDerWaalsContact C-N 3.27Å; S444-Y446 PolarHBondContact O-N 2.78Å; Y446-V448 PolarHBondContact O-N 3.26Å; Y446-A449 PolarHBondContact O-N 3.42Å; Y446-T450 PolarHBondContact O-N 3.36Å; Y446-T450 PolarHBondContact O-OG1 3.01Å
447	L	52.4	Low	63.7	Low	103 Å²	103	93 Å²	93	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-22.3	176.8	-66.7	-179.9	0	0	0	113.4	A421 S444	A421-L447 HydrophobicContact CB-CD1 3.58Å; A421-L447 HydrophobicContact CB-CG 4.43Å; S444-L447 PolarHBondContact O-N 2.7Å
448	V	48.1	Very low	60.6	Low	127 Å²	127	97.4 Å²	97.4	77%	0.77	57%	0.568	S	S	*	*	H	α-helix	trans	-78.1	-27.3	174.2	-173.4	0	0	0	0	111.4	K445 Y446	K445-V448 PolarHBondContact O-N 2.84Å; Y446-V448 PolarHBondContact O-N 3.26Å
449	A	47.7	Very low	57.4	Low	85 Å²	85	98.2 Å²	98.2	70%	0.702	58%	0.581	S	S	*	*	H	α-helix	trans	-84.8	-38.1	177.5	0	0	0	0	0	112.6	Y446 G451	Y446-A449 PolarHBondContact O-N 3.42Å; A449-G451 PolarHBondContact O-N 3.2Å
450	T	46.6	Very low	54.1	Low	91 Å²	91	103.8 Å²	103.8	56%	0.558	61%	0.614	S	S	*	*	S	Bend	trans	-92.6	71.9	176.5	59.8	0	0	0	0	110.7	Y446 T452	Y446-T450 PolarHBondContact O-N 3.36Å; Y446-T450 PolarHBondContact O-OG1 3.01Å; T450-T452 PolarHBondContact O-N 3.03Å
451	G	40.8	Very low	50.9	Low	69 Å²	69	107.9 Å²	107.9	71%	0.711	64%	0.639	S	S	*	*			trans	-66.5	101.6	-168.1	0	0	0	0	0	115.8	A449	A449-G451 PolarHBondContact O-N 3.2Å
452	T	36.7	Very low	47.7	Very low	121 Å²	121	114.4 Å²	114.4	74%	0.742	67%	0.674	S	S	*	*			trans	-105.9	100.7	155.7	33.7	0	0	0	0	110	T450 T454	T450-T452 PolarHBondContact O-N 3.03Å; T452-T454 PolarHBondContact O-N 3.1Å
453	S	37.3	Very low	44.6	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	70%	0.696	S	S	*	*			trans	-74.4	81.4	-178.9	174.7	0	0	0	0	112.6	T455	S453-T455 PolarHBondContact O-N 3.17Å
454	T	35.8	Very low	41.5	Very low	121 Å²	121	131.5 Å²	131.5	74%	0.742	73%	0.73	S	S	*	*			trans	-83.7	96.8	164.3	35.8	0	0	0	0	110.7	T452 T456	T452-T454 PolarHBondContact O-N 3.1Å; T454-T456 VanDerWaalsContact C-N 3.33Å; T454-T456 PolarHBondContact O-N 3.41Å
455	T	35.9	Very low	38.8	Very low	123 Å²	123	135.2 Å²	135.2	76%	0.755	75%	0.75	S	S	*	*			trans	-73.4	75.4	-174	-33.2	0	0	0	0	113	S453 K457	S453-T455 PolarHBondContact O-N 3.17Å; T455-K457 PolarHBondContact O-N 2.75Å; T455-K457 VanDerWaalsContact O-N 3.17Å
456	T	34	Very low	37.1	Very low	135 Å²	135	134.7 Å²	134.7	83%	0.828	76%	0.756	S	S	*	*			trans	-67.4	109	169.7	27.5	0	0	0	0	110.4	T454 S458	T454-T456 VanDerWaalsContact C-N 3.33Å; T454-T456 PolarHBondContact O-N 3.41Å; T456-S458 PolarHBondContact O-N 3.05Å
457	K	31.9	Very low	35.8	Very low	198 Å²	198	130.5 Å²	130.5	86%	0.861	76%	0.761	S	S	*	*			trans	-60.4	121.2	172.6	-72.2	-178.1	176.5	178.9	0	109.6	T455 S459	T455-K457 PolarHBondContact O-N 2.75Å; T455-K457 VanDerWaalsContact O-N 3.17Å; K457-S459 PolarHBondContact O-N 3.25Å
458	S	30.6	Very low	34.7	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	78%	0.779	S	S	*	*			trans	-63.8	118.7	171.1	-172.7	0	0	0	0	109.8	T456	T456-S458 PolarHBondContact O-N 3.05Å
459	S	30.4	Very low	33.7	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	78%	0.778	S	S	*	*			trans	-90.8	104.4	168.3	42.4	0	0	0	0	109	K457 V461	K457-S459 PolarHBondContact O-N 3.25Å; S459-V461 PolarHBondContact O-N 3.38Å
460	T	29.7	Very low	32.9	Very low	116 Å²	116	141.8 Å²	141.8	71%	0.712	79%	0.788	S	S	*	*			trans	-66.9	95.1	-176.4	-41.9	0	0	0	0	111.5	N462	T460-N462 PolarHBondContact O-N 3.43Å
461	V	30.4	Very low	32.2	Very low	136 Å²	136	144.9 Å²	144.9	82%	0.824	80%	0.801	S	S	*	*			trans	-74	93	173.5	-178.7	0	0	0	0	109.3	S459 R463	S459-V461 PolarHBondContact O-N 3.38Å; V461-R463 PolarHBondContact O-N 3.46Å
462	N	28.6	Very low	31.4	Very low	137 Å²	137	147 Å²	147	73%	0.733	80%	0.804	S	S	*	*			trans	-61.8	117.1	176.2	-84.4	-24	0	0	0	111.3	T460 R464	T460-N462 PolarHBondContact O-N 3.43Å; N462-R464 PolarHBondContact O-N 3.47Å; N462-R464 VanDerWaalsContact O-N 3.13Å
463	R	32.1	Very low	31.9	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	81%	0.806	S	S	*	*			trans	-56.6	113.8	163.9	-90.5	-179.9	164.4	173.5	-4.7	109.3	V461 V465	V461-R463 PolarHBondContact O-N 3.46Å; R463-V465 PolarHBondContact O-N 3.28Å; R463-V465 VanDerWaalsContact O-N 3.14Å
464	R	27.4	Very low	31.8	Very low	252 Å²	252	154.1 Å²	154.1	95%	0.951	83%	0.827	S	S	*	*			trans	-74.3	98.6	161.6	-79.2	-171.8	174.9	-178.5	-0.4	109.2	N462	N462-R464 PolarHBondContact O-N 3.47Å; N462-R464 VanDerWaalsContact O-N 3.13Å
465	V	31.8	Very low	31.6	Very low	126 Å²	126	155.8 Å²	155.8	76%	0.764	83%	0.831	S	S	*	*			trans	-86.3	146.4	159.1	-179.9	0	0	0	0	108	R463 G467	R463-V465 PolarHBondContact O-N 3.28Å; R463-V465 VanDerWaalsContact O-N 3.14Å; V465-G467 PolarHBondContact O-N 3.39Å
466	N	33.6	Very low	31.4	Very low	172 Å²	172	157.5 Å²	157.5	92%	0.92	84%	0.835	S	S	*	*			trans	-65	130.7	179.7	-73.6	-33.4	0	0	0	111.8
467	G	29.8	Very low	31.3	Very low	68 Å²	68	158.7 Å²	158.7	70%	0.701	84%	0.836	S	S	*	*			trans	-176.5	123	170.8	0	0	0	0	0	111.1	V465	V465-G467 PolarHBondContact O-N 3.39Å
468	K	29.5	Very low	31.2	Very low	211 Å²	211	156.4 Å²	156.4	92%	0.917	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.1	138.6	167.4	-74.3	-178.8	175.6	179.3	0	108.5
469	L	28	Very low	31.3	Very low	144 Å²	144	159.2 Å²	159.2	75%	0.754	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-64.7	135.2	166.2	-85	70.5	0	0	0	109.6	L471	L469-L471 HydrophobicContact CD2-CD2 4.34Å
470	Q	29.7	Very low	31.3	Very low	197 Å²	197	163.1 Å²	163.1	92%	0.921	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-99.7	145.9	140.3	-84.8	179.5	-52.6	0	0	107.8
471	L	33.4	Very low	31.4	Very low	157 Å²	157	166.4 Å²	166.4	82%	0.822	86%	0.856	S	S	*	*			trans	-115.2	128.6	-179.2	-78.8	163.1	0	0	0	109.5	L469	L469-L471 HydrophobicContact CD2-CD2 4.34Å
472	S	23.3	Very low	31.5	Very low	112 Å²	112	168.8 Å²	168.8	78%	0.783	86%	0.858	S	S	*	*			trans	-157.7	135.6	156.9	51.9	0	0	0	0	108.5
473	P	46.3	Very low	31.8	Very low	119 Å²	119	171.4 Å²	171.4	77%	0.773	87%	0.869	S	S	*	*			trans	-77.4	162.5	175.4	36.5	-35.4	0	0	0	110.2
474	E	36.5	Very low	31.7	Very low	264 Å²	264	165.6 Å²	165.6	100%	1.234	87%	0.867	S	S	*	*			cis	-138	0	43.2	-75.3	174.2	153.9	0	0	115.1

Retrieved 474 of 474 residues in 668 ms (Link to these results)

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