A0A096NVJ4_PAPAN Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A096NVJ4, Species PAPAN (Papio anubis, Olive baboon), Gene SPTLC3, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	27.9	Very low	251 Å²	251	133.9 Å²	133.9	100%	1.236	87%	0.868	S	S	*	*				0	119.1	0	-78.1	176.8	175.8	0	0	107.4
2	A	26.3	Very low	27.7	Very low	96 Å²	96	129.7 Å²	129.7	79%	0.793	87%	0.867	S	S	*	*			trans	-82.4	150.9	-173.7	0	0	0	0	0	111.2
3	N	26.6	Very low	27.4	Very low	164 Å²	164	134.1 Å²	134.1	88%	0.877	86%	0.863	S	S	*	*			trans	-149.4	139.8	131.8	-123.9	-7.5	0	0	0	110.9
4	P	39.1	Very low	27.3	Very low	119 Å²	119	134.1 Å²	134.1	77%	0.773	85%	0.852	S	S	*	*			trans	-104.2	168.6	-166.8	40.8	-32.4	0	0	0	112.5
5	G	26.2	Very low	27.2	Very low	79 Å²	79	136.3 Å²	136.3	81%	0.814	85%	0.846	S	S	*	*			trans	-172.8	83.7	170.3	0	0	0	0	0	112.2
6	G	24.8	Very low	27	Very low	81 Å²	81	137.3 Å²	137.3	84%	0.835	84%	0.844	S	S	*	*			trans	-82	152.3	168.5	0	0	0	0	0	111.7
7	S	25.3	Very low	27	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	85%	0.847	S	S	*	*			trans	-145.6	121.8	152.7	50.5	0	0	0	0	109.3
8	T	27.7	Very low	27	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	85%	0.845	S	S	*	*			trans	-102.8	136.1	167.2	30.1	0	0	0	0	106.9
9	V	26.5	Very low	27	Very low	143 Å²	143	145.5 Å²	145.5	87%	0.867	84%	0.844	S	S	*	*			trans	-139.5	116.7	160.5	-178	0	0	0	0	108.4
10	C	25.1	Very low	27	Very low	109 Å²	109	148.2 Å²	148.2	74%	0.736	85%	0.848	S	S	*	*			trans	-97.5	145	163.4	-76.7	0	0	0	0	109.2
11	N	26.8	Very low	26.9	Very low	171 Å²	171	145.9 Å²	145.9	91%	0.914	84%	0.841	S	S	*	*				142.1	128.3	128.9	-82.9	-19	0	0	0	113.4
12	G	25.3	Very low	26.7	Very low	83 Å²	83	141.7 Å²	141.7	86%	0.856	82%	0.824	S	S	*	*			trans	-157.7	112.9	157.7	0	0	0	0	0	108.6
13	K	24.3	Very low	26.6	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	82%	0.821	S	S	*	*			trans	-130.8	156.9	-178	-140.9	-172.9	-165.9	-177.5	0	107.9
14	L	25.6	Very low	26.5	Very low	135 Å²	135	140.3 Å²	140.3	71%	0.707	82%	0.818	S	S	*	*			trans	90.3	141	162.2	-59.9	145.1	0	0	0	114.6
15	H	26.4	Very low	25.9	Very low	166 Å²	166	143 Å²	143	77%	0.769	82%	0.821	S	S	*	*			cis	-159.8	151.7	17.1	-121.6	-56.6	0	0	0	111.2
16	N	23.7	Very low	25.9	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	82%	0.817	S	S	*	*			trans	-60.7	141.6	165.2	-101.7	-31.1	0	0	0	113.1
17	H	26.8	Very low	26	Very low	195 Å²	195	152.4 Å²	152.4	90%	0.903	82%	0.823	S	S	*	*			trans	-133.8	133.6	150.4	-108.1	-71.2	0	0	0	111
18	K	27.8	Very low	26	Very low	185 Å²	185	154.1 Å²	154.1	80%	0.804	82%	0.822	S	S	*	*			trans	-95.1	145.2	-177.1	-109.2	178.2	179	172.9	0	111.3
19	K	26.9	Very low	25.9	Very low	188 Å²	188	153.4 Å²	153.4	82%	0.817	82%	0.822	S	S	*	*			trans	69	116.9	146.5	-73.9	-175	172	-174.3	0	120
20	Q	25.6	Very low	25.9	Very low	200 Å²	200	153.2 Å²	153.2	94%	0.935	82%	0.821	S	S	*	*				-151.8	148.3	106.6	-108.2	177.2	6.9	0	0	111
21	S	26.7	Very low	26	Very low	99 Å²	99	157.1 Å²	157.1	69%	0.692	83%	0.825	S	S	*	*			trans	-88	147.5	-169.3	50.8	0	0	0	0	113.4
22	N	26.2	Very low	26.2	Very low	164 Å²	164	156.7 Å²	156.7	88%	0.877	82%	0.823	S	S	*	*				176.3	140.6	119.5	-88.4	-9.5	0	0	0	111.3
23	G	24.9	Very low	26.1	Very low	71 Å²	71	156 Å²	156	73%	0.732	82%	0.817	S	S	*	*			trans	112.3	85.2	154	0	0	0	0	0	117.6
24	L	25	Very low	26.4	Very low	159 Å²	159	155.3 Å²	155.3	83%	0.832	82%	0.82	S	S	*	*			trans	23.8	116.8	140.2	-88.3	93.3	0	0	0	119.7
25	Q	25.5	Very low	26.4	Very low	177 Å²	177	154.4 Å²	154.4	83%	0.827	82%	0.82	S	S	*	*				167.1	124	95	-107.6	171.4	7.1	0	0	112
26	S	26.9	Very low	26.5	Very low	104 Å²	104	156 Å²	156	73%	0.727	83%	0.825	S	S	*	*			trans	43.8	104	145.7	175.9	0	0	0	0	119.8
27	R	26.1	Very low	26.6	Very low	253 Å²	253	157.2 Å²	157.2	96%	0.955	83%	0.825	S	S	*	*			trans	-146.5	122.8	143.1	-102.9	178.8	-171.6	-174.7	1.2	112.1
28	N	26.2	Very low	26.8	Very low	156 Å²	156	152.5 Å²	152.5	83%	0.834	82%	0.82	S	S	*	*			trans	-65.9	132.7	-179	-74.4	-29.8	0	0	0	113
29	C	25.8	Very low	26.7	Very low	125 Å²	125	151.7 Å²	151.7	85%	0.845	82%	0.819	S	S	*	*			trans	-81	137.1	152.6	-84.5	0	0	0	0	109.2
30	T	27.3	Very low	27	Very low	139 Å²	139	150.6 Å²	150.6	85%	0.853	82%	0.817	S	S	*	*			trans	-148.4	121	153	23.4	0	0	0	0	111.5
31	K	25.8	Very low	27.2	Very low	190 Å²	190	149.2 Å²	149.2	83%	0.826	82%	0.816	S	S	*	*			trans	-72.6	152.5	152.1	-81.8	176.6	171.1	176.9	0	108.9
32	N	30.8	Very low	27.4	Very low	162 Å²	162	148 Å²	148	87%	0.866	82%	0.819	S	S	*	*			trans	39.3	106.1	152.1	-60.9	-4.1	0	0	0	118
33	G	23.9	Very low	27.6	Very low	70 Å²	70	151.9 Å²	151.9	72%	0.722	82%	0.821	S	S	*	*			trans	-172.4	118	162.6	0	0	0	0	0	110.9	V35	G33-V35 PolarHBondContact O-N 3.41Å
34	I	31.8	Very low	27.9	Very low	172 Å²	172	153.7 Å²	153.7	88%	0.882	82%	0.818	S	S	*	*			trans	-59.7	122.3	168.3	-67.4	166.3	0	0	0	107.8
35	V	23.9	Very low	28.4	Very low	116 Å²	116	153.3 Å²	153.3	70%	0.703	81%	0.812	S	S	*	*			trans	-129.6	114.3	162.1	-180	0	0	0	0	107.6	G33 E37	G33-V35 PolarHBondContact O-N 3.41Å; V35-E37 HydrophobicContact CG1-CG 4.25Å; V35-E37 PolarHBondContact O-N 2.79Å
36	K	30	Very low	29.1	Very low	200 Å²	200	153.9 Å²	153.9	87%	0.87	81%	0.812	S	S	*	*			trans	-69.3	112	159.9	-82.9	179	172	178.9	0	106.9
37	E	25.1	Very low	29.8	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	80%	0.803	S	S	*	*			trans	-127.6	111.5	155	-93.6	179.6	168.1	0	0	108.2	V35	V35-E37 HydrophobicContact CG1-CG 4.25Å; V35-E37 PolarHBondContact O-N 2.79Å
38	A	29.9	Very low	30.5	Very low	97 Å²	97	148.3 Å²	148.3	80%	0.802	78%	0.783	S	S	*	*			trans	-73.8	122.8	163.1	0	0	0	0	0	107.7
39	Q	26.9	Very low	31.6	Very low	168 Å²	168	149.1 Å²	149.1	79%	0.785	78%	0.78	S	S	*	*			trans	-170.2	121.2	134.6	-107.9	171.1	-9.9	0	0	111.3
40	Q	33.8	Very low	32.9	Very low	165 Å²	165	150.7 Å²	150.7	77%	0.771	78%	0.779	S	S	*	*			trans	50.9	93.3	135.2	-70.1	171.2	-23.7	0	0	117.3
41	N	28.7	Very low	34.6	Very low	170 Å²	170	145.7 Å²	145.7	91%	0.909	75%	0.747	S	S	*	*			trans	-141.5	114.8	133.9	-95	-34.2	0	0	0	108.8	R43	N41-R43 PolarHBondContact O-N 3.32Å
42	G	30.6	Very low	36.5	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	74%	0.74	S	S	*	*			trans	-66.4	96.5	-173.7	0	0	0	0	0	113.1
43	R	30.9	Very low	38.9	Very low	247 Å²	247	136.4 Å²	136.4	93%	0.932	71%	0.708	S	S	*	*			trans	-118.1	75.3	148.7	-78	-174.6	176.3	177.8	-1.4	107.8	N41 H45	N41-R43 PolarHBondContact O-N 3.32Å; R43-H45 PolarHBondContact O-N 3.35Å
44	T	31.3	Very low	41.4	Very low	108 Å²	108	134.5 Å²	134.5	66%	0.663	68%	0.684	S	S	*	*			trans	-62.4	112.9	170.7	33.2	0	0	0	0	109.8	F46	T44-F46 PolarHBondContact O-N 3.02Å
45	H	36.2	Very low	43.9	Very low	152 Å²	152	130.1 Å²	130.1	70%	0.704	66%	0.659	S	S	*	*			trans	31.2	49.5	148.3	-72.9	-88.9	0	0	0	119.1	R43 Y47 D48	R43-H45 PolarHBondContact O-N 3.35Å; H45-Y47 PolarHBondContact O-N 3.25Å; H45-D48 IonicContact CE1-OD2 3.56Å; H45-D48 IonicContact CG-OD2 3.84Å; H45-D48 IonicContact ND1-OD2 2.76Å; H45-D48 PolarHBondContact ND1-OD2 2.87Å
46	F	39.1	Very low	47	Very low	189 Å²	189	125.6 Å²	125.6	83%	0.829	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-14.8	172.7	-101.9	-89	0	0	0	113.9	T44	T44-F46 PolarHBondContact O-N 3.02Å
47	Y	41	Very low	49.7	Very low	138 Å²	138	123.6 Å²	123.6	54%	0.541	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.9	-5	-178.5	-72.2	-79.1	0	0	0	114.4	H45 P320	H45-Y47 PolarHBondContact O-N 3.25Å; Y47-P320 HydrophobicContact CD1-CB 3.7Å; Y47-P320 HydrophobicContact CE1-CB 4.01Å
48	D	41	Very low	52.6	Low	101 Å²	101	115.9 Å²	115.9	54%	0.54	59%	0.59	S	S	.	*			trans	-108.1	27.8	-174.5	-75.1	-30.8	0	0	0	113.6	H45 L50	H45-D48 IonicContact CE1-OD2 3.56Å; H45-D48 IonicContact CG-OD2 3.84Å; H45-D48 IonicContact ND1-OD2 2.76Å; H45-D48 PolarHBondContact ND1-OD2 2.87Å; D48-L50 PolarHBondContact O-N 3.37Å
49	K	49	Very low	55.4	Low	174 Å²	174	111.8 Å²	111.8	76%	0.757	56%	0.555	S	S	*	*			trans	-68.2	88.9	160.7	-122.9	-179.2	-175.8	179.3	0	106.9	I51	K49-I51 PolarHBondContact O-N 2.76Å
50	L	53.4	Low	58.5	Low	157 Å²	157	110.3 Å²	110.3	82%	0.822	55%	0.552	S	S	*	*			trans	-54.1	110.4	174.1	-96.9	137.9	0	0	0	107.8	D48 V52	D48-L50 PolarHBondContact O-N 3.37Å; L50-V52 PolarHBondContact O-N 2.85Å
51	I	64.6	Low	61.2	Low	35 Å²	35	107.4 Å²	107.4	18%	0.179	54%	0.538	C	S	.	.			trans	-70.5	111.9	174.2	-63	165.7	0	0	0	105.5	K49 E53 H318 F355 N455	K49-I51 PolarHBondContact O-N 2.76Å; I51-E53 HydrophobicContact CG2-CG 3.54Å; I51-E53 PolarHBondContact O-N 3.19Å; I51-H318 WeakPolarHBondContact CD1-CD2 3.28Å; I51-F355 HydrophobicContact CD1-CE1 3.61Å; I51-F355 HydrophobicContact CD1-CZ 3.49Å; I51-F355 VanDerWaalsContact CD1-CZ 3.49Å; I51-F355 HydrophobicContact CG1-CE1 3.98Å; I51-F355 HydrophobicContact CG1-CZ 4.23Å; I51-N455 VanDerWaalsContact CG2-ND2 3.27Å; I51-N455 WeakPolarHBondContact CG2-ND2 3.36Å
52	V	64.9	Low	64.3	Low	115 Å²	115	99.4 Å²	99.4	70%	0.697	50%	0.495	S	S	*	.			trans	-85	102.8	172.8	-176.5	0	0	0	0	106.9	L50	L50-V52 PolarHBondContact O-N 2.85Å
53	E	80.7	Confident	67.2	Low	42 Å²	42	98.4 Å²	98.4	20%	0.196	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.3	169.1	-52.2	-163.1	124.7	0	0	109.1	I51 F55 N275 S315 I316	I51-E53 HydrophobicContact CG2-CG 3.54Å; I51-E53 PolarHBondContact O-N 3.19Å; E53-F55 HydrophobicContact CB-CD2 3.94Å; E53-F55 HydrophobicContact CB-CE2 3.62Å; E53-F55 HydrophobicContact CG-CE2 4.42Å; E53-F55 WeakPolarHBondContact OE2-CE2 3.33Å; E53-N275 PolarHBondContact OE2-ND2 3.31Å; E53-S315 WeakPolarHBondContact OE1-CA 3.36Å; E53-S315 WeakPolarHBondContact OE1-CB 3.39Å; E53-I316 PolarHBondContact OE1-N 2.63Å
54	S	77.8	Confident	70.1	Confident	30 Å²	30	90.4 Å²	90.4	21%	0.21	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.2	173.4	173.6	0	0	0	0	109.2	I452 Y453 G454	S54-I452 PolarHBondContact OG-O 2.79Å; S54-Y453 CarbonylContact O-C 3.44Å; S54-Y453 VanDerWaalsContact O-CA 3.24Å; S54-Y453 WeakPolarHBondContact O-CA 3.27Å; S54-G454 PolarHBondContact N-O 3.23Å; S54-G454 PolarHBondContact O-N 2.84Å
55	F	84.1	Confident	73.1	Confident	80 Å²	80	90 Å²	90	35%	0.351	44%	0.439	S	S	.	.			trans	-138.2	54.4	170.5	-68.7	-76.2	0	0	0	109.1	E53 E57 E313 Y453	E53-F55 HydrophobicContact CB-CD2 3.94Å; E53-F55 HydrophobicContact CB-CE2 3.62Å; E53-F55 HydrophobicContact CG-CE2 4.42Å; E53-F55 WeakPolarHBondContact OE2-CE2 3.33Å; F55-E57 PolarHBondContact O-N 2.96Å; F55-E313 HydrophobicContact CE1-CB 4.22Å; F55-E313 HydrophobicContact CE1-CG 4.37Å; F55-E313 HydrophobicContact CZ-CB 4.47Å; F55-Y453 HydrophobicContact CD1-CD1 4.03Å; F55-Y453 AromaticContact CD1-CD2 3.81Å; F55-Y453 HydrophobicContact CD1-CD2 3.81Å; F55-Y453 HydrophobicContact CD1-CE1 4.44Å; F55-Y453 HydrophobicContact CD1-CE2 4.22Å; F55-Y453 AromaticContact CD1-CG 3.72Å; F55-Y453 HydrophobicContact CD1-CG 3.72Å; F55-Y453 HydrophobicContact CE1-CD2 4.09Å; F55-Y453 HydrophobicContact CE1-CG 4.11Å
56	E	87.3	Confident	75.8	Confident	21 Å²	21	82.7 Å²	82.7	10%	0.098	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-58.9	123.6	179.9	-176.8	179.4	179.2	0	0	110.4	I451 S532 R533 H534	E56-I451 HydrophobicContact CB-CG1 4.49Å; E56-I451 HydrophobicContact CB-CG2 4.16Å; E56-I451 HydrophobicContact CG-CD1 4.27Å; E56-I451 HydrophobicContact CG-CG1 4.4Å; E56-S532 WeakPolarHBondContact OE1-CA 3.47Å; E56-S532 WeakPolarHBondContact OE2-CA 3.47Å; E56-S532 VanDerWaalsContact OE2-CB 3.31Å; E56-S532 WeakPolarHBondContact OE2-CB 3.47Å; E56-S532 PolarHBondContact OE2-OG 3.24Å; E56-R533 WeakPolarHBondContact OE1-CB 3.12Å; E56-R533 PolarHBondContact OE1-N 3Å; E56-H534 IonicContact OE2-CD2 2.63Å; E56-H534 PolarHBondContact OE2-CD2 3.08Å
57	E	86.6	Confident	78.4	Confident	158 Å²	158	79.6 Å²	79.6	74%	0.738	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-68.7	137.3	177.6	-67.7	-176.7	174.4	0	0	111.2	F55	F55-E57 PolarHBondContact O-N 2.96Å
58	A	86.1	Confident	80.9	Confident	13 Å²	13	77.7 Å²	77.7	11%	0.107	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-57.9	143.2	176.3	0	0	0	0	0	111.6	L60 M63 Y466	A58-L60 PolarHBondContact O-N 3.38Å; A58-M63 HydrophobicContact CB-CG 3.88Å; A58-M63 HydrophobicContact CB-SD 3.67Å; A58-Y466 HydrophobicContact CB-CD1 4.18Å; A58-Y466 HydrophobicContact CB-CE1 3.44Å; A58-Y466 VanDerWaalsContact CB-CE1 3.44Å; A58-Y466 HydrophobicContact CB-CE2 4.47Å
59	P	90.1	Very high	83.3	Confident	11 Å²	11	73.9 Å²	73.9	7%	0.071	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-54.7	139.6	167.6	-22.6	32.7	0	0	0	112.6	H61 V62 M63	P59-H61 WeakPolarHBondContact CB-CE1 3.38Å; P59-H61 PolarHBondContact O-N 3.18Å; P59-H61 VanDerWaalsContact O-N 3.13Å; P59-V62 HydrophobicContact CB-CG2 4.05Å; P59-V62 HydrophobicContact CG-CG2 4.19Å; P59-V62 WeakPolarHBondContact O-CA 3.43Å; P59-V62 WeakPolarHBondContact O-CB 3.37Å; P59-V62 PolarHBondContact O-N 3.48Å; P59-M63 PolarHBondContact O-N 3.47Å
60	L	91.4	Very high	85.3	Confident	138 Å²	138	66.6 Å²	66.6	72%	0.723	34%	0.339	S	S	*	.	H	α-helix	trans	-54.1	-39.5	-174.6	-177.7	65.1	0	0	0	112.7	A58 V62 M63 V64	A58-L60 PolarHBondContact O-N 3.38Å; L60-V62 VanDerWaalsContact C-N 3.31Å; L60-V62 PolarHBondContact O-N 3.3Å; L60-M63 WeakPolarHBondContact O-CB 3.25Å; L60-M63 PolarHBondContact O-N 3.28Å; L60-V64 HydrophobicContact CG-CG2 4.49Å; L60-V64 WeakPolarHBondContact O-CG2 3.29Å; L60-V64 PolarHBondContact O-N 2.96Å
61	H	91.3	Very high	87.2	Confident	104 Å²	104	60.7 Å²	60.7	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-36.2	177.6	66.7	-92.1	0	0	0	112.5	P59 V64 F65	P59-H61 WeakPolarHBondContact CB-CE1 3.38Å; P59-H61 PolarHBondContact O-N 3.18Å; P59-H61 VanDerWaalsContact O-N 3.13Å; H61-V64 PolarHBondContact O-N 3.21Å; H61-F65 HydrophobicContact CB-CE2 4.29Å; H61-F65 WeakPolarHBondContact O-CB 3.23Å; H61-F65 WeakPolarHBondContact O-CD2 3.32Å; H61-F65 VanDerWaalsContact O-CG 3.24Å; H61-F65 WeakPolarHBondContact O-CG 3.3Å; H61-F65 PolarHBondContact O-N 3.04Å
62	V	92.2	Very high	88.6	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-42.8	175.6	-178.6	0	0	0	0	110.2	P59 L60 F65 T66 Y466 Y531	P59-V62 HydrophobicContact CB-CG2 4.05Å; P59-V62 HydrophobicContact CG-CG2 4.19Å; P59-V62 WeakPolarHBondContact O-CA 3.43Å; P59-V62 WeakPolarHBondContact O-CB 3.37Å; P59-V62 PolarHBondContact O-N 3.48Å; L60-V62 VanDerWaalsContact C-N 3.31Å; L60-V62 PolarHBondContact O-N 3.3Å; V62-F65 PolarHBondContact O-N 3.33Å; V62-T66 WeakPolarHBondContact O-CB 3.33Å; V62-T66 PolarHBondContact O-N 3.47Å; V62-T66 PolarHBondContact O-OG1 2.79Å; V62-Y466 HydrophobicContact CG1-CD1 4.27Å; V62-Y466 HydrophobicContact CG1-CD2 3.6Å; V62-Y466 HydrophobicContact CG1-CE2 4.19Å; V62-Y466 HydrophobicContact CG1-CG 3.64Å; V62-Y531 HydrophobicContact CG1-CE1 4.31Å; V62-Y531 HydrophobicContact CG1-CE2 4.26Å; V62-Y531 HydrophobicContact CG2-CD1 3.56Å; V62-Y531 HydrophobicContact CG2-CE1 3.36Å; V62-Y531 HydrophobicContact CG2-CG 4.25Å
63	M	91.7	Very high	89.8	Confident	51 Å²	51	58.3 Å²	58.3	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-50	175.4	-64.7	-64.2	-69.6	0	0	111.1	A58 P59 L60 F65 T66 Y67 A496	A58-M63 HydrophobicContact CB-CG 3.88Å; A58-M63 HydrophobicContact CB-SD 3.67Å; P59-M63 PolarHBondContact O-N 3.47Å; L60-M63 WeakPolarHBondContact O-CB 3.25Å; L60-M63 PolarHBondContact O-N 3.28Å; M63-F65 PolarHBondContact O-N 3.25Å; M63-T66 WeakPolarHBondContact O-CB 3.32Å; M63-T66 PolarHBondContact O-N 3.45Å; M63-T66 VanDerWaalsContact O-N 3.16Å; M63-Y67 HydrophobicContact CE-CE2 3.93Å; M63-Y67 WeakPolarHBondContact O-CD2 3.5Å; M63-Y67 PolarHBondContact O-N 3.15Å; M63-A496 HydrophobicContact CE-CB 3.24Å; M63-A496 HydrophobicContact SD-CB 3.68Å
64	V	93.4	Very high	90.4	Very high	80 Å²	80	58.1 Å²	58.1	49%	0.485	31%	0.305	S	S	.	.	H	α-helix	trans	-58	-48.3	178.2	171.7	0	0	0	0	111	L60 H61 T66 Y67 M68	L60-V64 HydrophobicContact CG-CG2 4.49Å; L60-V64 WeakPolarHBondContact O-CG2 3.29Å; L60-V64 PolarHBondContact O-N 2.96Å; H61-V64 PolarHBondContact O-N 3.21Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 2.83Å; V64-Y67 PolarHBondContact O-N 2.94Å; V64-M68 VanDerWaalsContact O-CB 3.27Å; V64-M68 WeakPolarHBondContact O-CB 3.11Å; V64-M68 PolarHBondContact O-N 3.32Å
65	F	93.3	Very high	91.2	Very high	98 Å²	98	62.6 Å²	62.6	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-65.8	-31.8	178.2	-66.9	-36.2	0	0	0	113.2	H61 V62 M63 M68 G69 M467	H61-F65 HydrophobicContact CB-CE2 4.29Å; H61-F65 WeakPolarHBondContact O-CB 3.23Å; H61-F65 WeakPolarHBondContact O-CD2 3.32Å; H61-F65 VanDerWaalsContact O-CG 3.24Å; H61-F65 WeakPolarHBondContact O-CG 3.3Å; H61-F65 PolarHBondContact O-N 3.04Å; V62-F65 PolarHBondContact O-N 3.33Å; M63-F65 PolarHBondContact O-N 3.25Å; F65-M68 HydrophobicContact CD1-CE 3.7Å; F65-M68 HydrophobicContact CE1-CE 4.26Å; F65-G69 PolarHBondContact O-N 3.24Å; F65-M467 HydrophobicContact CB-CE 4.21Å; F65-M467 HydrophobicContact CB-SD 4.17Å
66	T	93.3	Very high	91.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.4	-50.1	175.8	-59.5	0	0	0	0	111	V62 M63 V64 M68 G69 Y70 Y466	V62-T66 WeakPolarHBondContact O-CB 3.33Å; V62-T66 PolarHBondContact O-N 3.47Å; V62-T66 PolarHBondContact O-OG1 2.79Å; M63-T66 WeakPolarHBondContact O-CB 3.32Å; M63-T66 PolarHBondContact O-N 3.45Å; M63-T66 VanDerWaalsContact O-N 3.16Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 2.83Å; T66-M68 VanDerWaalsContact C-N 3.35Å; T66-M68 PolarHBondContact O-N 2.99Å; T66-G69 PolarHBondContact O-N 3.45Å; T66-Y70 HydrophobicContact CG2-CD2 4.21Å; T66-Y70 HydrophobicContact CG2-CE2 4.12Å; T66-Y70 WeakPolarHBondContact O-CD2 3.48Å; T66-Y70 PolarHBondContact O-N 3.37Å; T66-Y466 WeakPolarHBondContact OG1-CB 3.21Å
67	Y	93.8	Very high	91.8	Very high	124 Å²	124	64 Å²	64	49%	0.486	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.5	-73.7	-66.6	0	0	0	112.3	M63 V64 G69 Y70 G71 L495 A496	M63-Y67 HydrophobicContact CE-CE2 3.93Å; M63-Y67 WeakPolarHBondContact O-CD2 3.5Å; M63-Y67 PolarHBondContact O-N 3.15Å; V64-Y67 PolarHBondContact O-N 2.94Å; Y67-G69 VanDerWaalsContact C-N 3.31Å; Y67-G69 PolarHBondContact O-N 2.95Å; Y67-Y70 PolarHBondContact O-N 2.91Å; Y67-G71 PolarHBondContact O-N 3.36Å; Y67-L495 HydrophobicContact CE1-CB 4.38Å; Y67-L495 HydrophobicContact CE1-CD1 4.41Å; Y67-A496 HydrophobicContact CE2-CB 4.35Å
68	M	93.5	Very high	92.1	Very high	98 Å²	98	63 Å²	63	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-41	173.9	-172.1	179.2	74.4	0	0	111.3	V64 F65 T66 G71 I72	V64-M68 VanDerWaalsContact O-CB 3.27Å; V64-M68 WeakPolarHBondContact O-CB 3.11Å; V64-M68 PolarHBondContact O-N 3.32Å; F65-M68 HydrophobicContact CD1-CE 3.7Å; F65-M68 HydrophobicContact CE1-CE 4.26Å; T66-M68 VanDerWaalsContact C-N 3.35Å; T66-M68 PolarHBondContact O-N 2.99Å; M68-G71 PolarHBondContact O-N 3.4Å; M68-I72 HydrophobicContact CG-CD1 4.02Å; M68-I72 HydrophobicContact CG-CG1 4.46Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.46Å; M68-I72 PolarHBondContact O-N 3.48Å
69	G	91.7	Very high	92.4	Very high	21 Å²	21	66.5 Å²	66.5	22%	0.216	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-44.8	175.9	0	0	0	0	0	112.8	F65 T66 Y67 G73	F65-G69 PolarHBondContact O-N 3.24Å; T66-G69 PolarHBondContact O-N 3.45Å; Y67-G69 VanDerWaalsContact C-N 3.31Å; Y67-G69 PolarHBondContact O-N 2.95Å; G69-G73 PolarHBondContact O-N 3.49Å
70	Y	91.2	Very high	92.4	Very high	21 Å²	21	68 Å²	68	8%	0.082	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-40.3	171.6	-82.5	-73.3	0	0	0	112.2	T66 Y67 G73 T74 P468 L495	T66-Y70 HydrophobicContact CG2-CD2 4.21Å; T66-Y70 HydrophobicContact CG2-CE2 4.12Å; T66-Y70 WeakPolarHBondContact O-CD2 3.48Å; T66-Y70 PolarHBondContact O-N 3.37Å; Y67-Y70 PolarHBondContact O-N 2.91Å; Y70-G73 PolarHBondContact O-N 2.79Å; Y70-T74 WeakPolarHBondContact O-CB 3.18Å; Y70-T74 PolarHBondContact O-N 3.23Å; Y70-T74 PolarHBondContact O-OG1 3.25Å; Y70-P468 HydrophobicContact CD1-CG 4.22Å; Y70-P468 HydrophobicContact CD2-CG 4.07Å; Y70-P468 HydrophobicContact CE1-CB 4.13Å; Y70-P468 HydrophobicContact CE1-CG 4.04Å; Y70-P468 HydrophobicContact CE2-CB 4.35Å; Y70-P468 HydrophobicContact CE2-CG 3.88Å; Y70-P468 HydrophobicContact CG-CG 4.24Å; Y70-L495 HydrophobicContact CD1-CD2 3.77Å; Y70-L495 HydrophobicContact CD2-CB 4.27Å; Y70-L495 HydrophobicContact CD2-CD2 3.98Å; Y70-L495 HydrophobicContact CE1-CD2 3.52Å; Y70-L495 HydrophobicContact CE2-CB 4.02Å; Y70-L495 HydrophobicContact CE2-CD2 3.75Å; Y70-L495 HydrophobicContact CE2-CG 4.5Å; Y70-L495 VanDerWaalsContact CE2-O 3.32Å; Y70-L495 WeakPolarHBondContact CE2-O 3.4Å; Y70-L495 HydrophobicContact CG-CD2 3.99Å
71	G	92.7	Very high	92.3	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-48.2	176.2	0	0	0	0	0	112.4	Y67 M68 T74 L75	Y67-G71 PolarHBondContact O-N 3.36Å; M68-G71 PolarHBondContact O-N 3.4Å; G71-T74 PolarHBondContact O-N 2.92Å; G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.33Å
72	I	93.1	Very high	92.3	Very high	79 Å²	79	62.7 Å²	62.7	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-60.1	-48.5	175	-67.4	166.4	0	0	0	110.1	M68 T74 L75 F76	M68-I72 HydrophobicContact CG-CD1 4.02Å; M68-I72 HydrophobicContact CG-CG1 4.46Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.46Å; M68-I72 PolarHBondContact O-N 3.48Å; I72-T74 VanDerWaalsContact C-N 3.29Å; I72-T74 PolarHBondContact O-N 3.3Å; I72-L75 PolarHBondContact O-N 3.45Å; I72-F76 HydrophobicContact CG2-CD2 3.77Å; I72-F76 HydrophobicContact CG2-CE2 3.93Å; I72-F76 WeakPolarHBondContact O-CD2 3.31Å; I72-F76 PolarHBondContact O-N 3.44Å
73	G	91.8	Very high	92.2	Very high	21 Å²	21	65.3 Å²	65.3	22%	0.216	33%	0.328	C	S	.	.	H	α-helix	trans	-57.2	-42.2	177.8	0	0	0	0	0	112.8	G69 Y70 G77	G69-G73 PolarHBondContact O-N 3.49Å; Y70-G73 PolarHBondContact O-N 2.79Å; G73-G77 PolarHBondContact O-N 2.85Å
74	T	91.9	Very high	92	Very high	38 Å²	38	64 Å²	64	23%	0.233	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-44.6	176.5	-64.7	0	0	0	0	112.1	Y70 G71 I72 F76 G77 Y78 F113	Y70-T74 WeakPolarHBondContact O-CB 3.18Å; Y70-T74 PolarHBondContact O-N 3.23Å; Y70-T74 PolarHBondContact O-OG1 3.25Å; G71-T74 PolarHBondContact O-N 2.92Å; I72-T74 VanDerWaalsContact C-N 3.29Å; I72-T74 PolarHBondContact O-N 3.3Å; T74-F76 PolarHBondContact O-N 2.97Å; T74-G77 WeakPolarHBondContact O-CA 3.45Å; T74-G77 PolarHBondContact O-N 3.37Å; T74-G77 VanDerWaalsContact O-N 3.1Å; T74-Y78 HydrophobicContact CG2-CD2 3.78Å; T74-Y78 HydrophobicContact CG2-CE2 3.47Å; T74-Y78 VanDerWaalsContact CG2-CE2 3.47Å; T74-Y78 VanDerWaalsContact O-CD2 3.3Å; T74-Y78 WeakPolarHBondContact O-CD2 3.32Å; T74-Y78 PolarHBondContact O-N 2.48Å; T74-F113 HydrophobicContact CG2-CE1 3.99Å; T74-F113 HydrophobicContact CG2-CZ 4Å; T74-F113 WeakPolarHBondContact O-CZ 3.49Å
75	L	94.4	Very high	91.7	Very high	124 Å²	124	67 Å²	67	65%	0.649	33%	0.334	S	S	*	.	H	α-helix	trans	-59.3	-47	176.5	-73.7	169.7	0	0	0	111.6	G71 I72 G77 Y78 L79	G71-L75 WeakPolarHBondContact O-CG 3.46Å; G71-L75 PolarHBondContact O-N 3.33Å; I72-L75 PolarHBondContact O-N 3.45Å; L75-G77 VanDerWaalsContact C-N 3.29Å; L75-G77 PolarHBondContact O-N 3.45Å; L75-Y78 PolarHBondContact O-N 3.27Å; L75-L79 PolarHBondContact O-N 3.5Å
76	F	92.6	Very high	91.5	Very high	128 Å²	128	71.4 Å²	71.4	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-63.6	-35.7	174	-88.5	-87	0	0	0	112.2	I72 T74 L79 R80	I72-F76 HydrophobicContact CG2-CD2 3.77Å; I72-F76 HydrophobicContact CG2-CE2 3.93Å; I72-F76 WeakPolarHBondContact O-CD2 3.31Å; I72-F76 PolarHBondContact O-N 3.44Å; T74-F76 PolarHBondContact O-N 2.97Å; F76-L79 PolarHBondContact O-N 2.96Å; F76-R80 WeakPolarHBondContact O-CB 3.36Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.27Å; F76-R80 PolarHBondContact O-N 3.04Å
77	G	91.9	Very high	91.1	Very high	3 Å²	3	74.7 Å²	74.7	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-58.8	-47.1	173.6	0	0	0	0	0	112.6	G73 T74 L75 R80 D81	G73-G77 PolarHBondContact O-N 2.85Å; T74-G77 WeakPolarHBondContact O-CA 3.45Å; T74-G77 PolarHBondContact O-N 3.37Å; T74-G77 VanDerWaalsContact O-N 3.1Å; L75-G77 VanDerWaalsContact C-N 3.29Å; L75-G77 PolarHBondContact O-N 3.45Å; G77-R80 PolarHBondContact O-N 3.4Å; G77-D81 PolarHBondContact O-N 3.39Å
78	Y	93	Very high	90.8	Very high	136 Å²	136	74.1 Å²	74.1	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-40.9	177.4	-77.4	-62.4	0	0	0	112.8	T74 L75 R80 D81 F82 F113	T74-Y78 HydrophobicContact CG2-CD2 3.78Å; T74-Y78 HydrophobicContact CG2-CE2 3.47Å; T74-Y78 VanDerWaalsContact CG2-CE2 3.47Å; T74-Y78 VanDerWaalsContact O-CD2 3.3Å; T74-Y78 WeakPolarHBondContact O-CD2 3.32Å; T74-Y78 PolarHBondContact O-N 2.48Å; L75-Y78 PolarHBondContact O-N 3.27Å; Y78-R80 PolarHBondContact O-N 3.46Å; Y78-D81 PolarHBondContact O-N 3.42Å; Y78-F82 PolarHBondContact O-N 3.14Å; Y78-F113 HydrophobicContact CD1-CD2 4.26Å; Y78-F113 AromaticContact CD1-CE2 3.69Å; Y78-F113 HydrophobicContact CD1-CE2 3.69Å; Y78-F113 HydrophobicContact CD1-CZ 4.4Å; Y78-F113 HydrophobicContact CD2-CE2 4.09Å; Y78-F113 AromaticContact CD2-CZ 3.98Å; Y78-F113 HydrophobicContact CD2-CZ 3.98Å; Y78-F113 HydrophobicContact CE1-CD2 4.01Å; Y78-F113 AromaticContact CE1-CE2 3.77Å; Y78-F113 HydrophobicContact CE1-CE2 3.77Å; Y78-F113 HydrophobicContact CE1-CZ 4.39Å; Y78-F113 HydrophobicContact CE2-CE2 4.18Å; Y78-F113 AromaticContact CE2-CZ 3.99Å; Y78-F113 HydrophobicContact CE2-CZ 3.99Å; Y78-F113 AromaticContact CG-CE2 3.85Å; Y78-F113 HydrophobicContact CG-CE2 3.85Å; Y78-F113 HydrophobicContact CG-CZ 4.19Å
79	L	93	Very high	90.4	Very high	88 Å²	88	71.3 Å²	71.3	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-57.2	-41.6	174.1	176.5	61.6	0	0	0	111.2	L75 F76 F82 M83	L75-L79 PolarHBondContact O-N 3.5Å; F76-L79 PolarHBondContact O-N 2.96Å; L79-F82 WeakPolarHBondContact O-CB 3.39Å; L79-F82 PolarHBondContact O-N 3.42Å; L79-M83 HydrophobicContact CG-SD 4.36Å; L79-M83 WeakPolarHBondContact O-CG 3.33Å; L79-M83 PolarHBondContact O-N 2.86Å
80	R	89.9	Confident	89.8	Confident	42 Å²	42	79.3 Å²	79.3	16%	0.158	40%	0.4	C	S	.	.	H	α-helix	trans	-71.6	-37.2	179.5	-71.5	179.9	70.7	-166.8	4.2	113	F76 G77 Y78 F82 M83 R84 E89	F76-R80 WeakPolarHBondContact O-CB 3.36Å; F76-R80 VanDerWaalsContact O-CG 3.23Å; F76-R80 WeakPolarHBondContact O-CG 3.27Å; F76-R80 PolarHBondContact O-N 3.04Å; G77-R80 PolarHBondContact O-N 3.4Å; Y78-R80 PolarHBondContact O-N 3.46Å; R80-F82 VanDerWaalsContact C-N 3.28Å; R80-F82 PolarHBondContact O-N 2.72Å; R80-M83 PolarHBondContact O-N 3.37Å; R80-R84 VanDerWaalsContact O-CG 3.26Å; R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 2.9Å; R80-E89 WeakPolarHBondContact CB-OE2 3.46Å; R80-E89 WeakPolarHBondContact CG-OE2 3.44Å; R80-E89 IonicContact CZ-OE1 3.76Å; R80-E89 IonicContact CZ-OE2 2.82Å; R80-E89 IonicContact NE-OE1 3.87Å; R80-E89 PolarHBondContact NE-OE1 3.43Å; R80-E89 IonicContact NE-OE2 3.8Å; R80-E89 PolarHBondContact NE-OE2 2.96Å; R80-E89 IonicContact NH2-OE1 2.95Å; R80-E89 PolarHBondContact NH2-OE1 3.24Å; R80-E89 IonicContact NH2-OE2 3.88Å
81	D	89.2	Confident	89.1	Confident	19 Å²	19	80.8 Å²	80.8	10%	0.102	41%	0.412	C	S	.	.	H	α-helix	trans	-63	-37.9	171.5	-76.2	-16.5	0	0	0	111.5	G77 Y78 R84 N85 F113 R116 N117	G77-D81 PolarHBondContact O-N 3.39Å; Y78-D81 PolarHBondContact O-N 3.42Å; D81-R84 PolarHBondContact O-N 3.34Å; D81-R84 IonicContact OD1-CZ 3.88Å; D81-R84 IonicContact OD1-NH1 2.77Å; D81-R84 PolarHBondContact OD1-NH1 3.25Å; D81-N85 VanDerWaalsContact O-CG 3.23Å; D81-N85 PolarHBondContact O-N 3.24Å; D81-N85 PolarHBondContact O-OD1 3.24Å; D81-F113 WeakPolarHBondContact OD2-CD2 3.3Å; D81-R116 IonicContact OD1-CZ 3.35Å; D81-R116 IonicContact OD1-NE 2.88Å; D81-R116 PolarHBondContact OD1-NE 3.49Å; D81-R116 IonicContact OD1-NH2 2.89Å; D81-R116 PolarHBondContact OD1-NH2 3.02Å; D81-R116 VanDerWaalsContact OD1-NH2 3.11Å; D81-R116 IonicContact OD2-CZ 3.68Å; D81-R116 IonicContact OD2-NE 3.77Å; D81-R116 IonicContact OD2-NH2 3.14Å; D81-R116 PolarHBondContact OD2-NH2 2.83Å; D81-N117 PolarHBondContact OD1-ND2 2.79Å; D81-N117 PolarHBondContact OD2-ND2 3.19Å
82	F	90.5	Very high	88.3	Confident	111 Å²	111	83.1 Å²	83.1	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-60.3	-47.7	169.9	171.5	-94.2	0	0	0	112.1	Y78 L79 R80 R84 N85 W86	Y78-F82 PolarHBondContact O-N 3.14Å; L79-F82 WeakPolarHBondContact O-CB 3.39Å; L79-F82 PolarHBondContact O-N 3.42Å; R80-F82 VanDerWaalsContact C-N 3.28Å; R80-F82 PolarHBondContact O-N 2.72Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 3.21Å; F82-N85 PolarHBondContact O-N 2.57Å; F82-W86 AromaticContact CE2-CD1 3.63Å; F82-W86 AromaticContact CE2-NE1 3.46Å; F82-W86 AromaticContact CZ-CD1 3.72Å; F82-W86 HydrophobicContact CZ-CG 4.32Å; F82-W86 AromaticContact CZ-NE1 3.62Å; F82-W86 PolarHBondContact O-N 3.12Å; F82-W86 VanDerWaalsContact O-N 3.09Å
83	M	90.8	Very high	87.5	Confident	58 Å²	58	80.5 Å²	80.5	29%	0.286	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-37.2	177.3	-70.7	175.3	72.3	0	0	112.7	L79 R80 W86 G87 I88 E89	L79-M83 HydrophobicContact CG-SD 4.36Å; L79-M83 WeakPolarHBondContact O-CG 3.33Å; L79-M83 PolarHBondContact O-N 2.86Å; R80-M83 PolarHBondContact O-N 3.37Å; M83-W86 CarbonylContact O-C 3.56Å; M83-W86 PolarHBondContact O-N 2.93Å; M83-G87 PolarHBondContact O-N 3.34Å; M83-I88 HydrophobicContact CB-CB 4.2Å; M83-I88 HydrophobicContact CE-CB 4.38Å; M83-I88 HydrophobicContact CE-CG2 3.6Å; M83-I88 WeakPolarHBondContact O-CB 3.48Å; M83-I88 PolarHBondContact O-N 3.04Å; M83-E89 HydrophobicContact CB-CB 4.15Å; M83-E89 PolarHBondContact O-N 3.48Å
84	R	88	Confident	86.6	Confident	24 Å²	24	84.5 Å²	84.5	9%	0.091	44%	0.438	C	S	.	.	H	α-helix	trans	-67.2	-41.7	175.4	-71.7	167.3	-174.3	148.9	4.6	112	R80 D81 F82 W86 G87 E89 C91 R116 N117	R80-R84 VanDerWaalsContact O-CG 3.26Å; R80-R84 WeakPolarHBondContact O-CG 3.46Å; R80-R84 PolarHBondContact O-N 2.9Å; D81-R84 PolarHBondContact O-N 3.34Å; D81-R84 IonicContact OD1-CZ 3.88Å; D81-R84 IonicContact OD1-NH1 2.77Å; D81-R84 PolarHBondContact OD1-NH1 3.25Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 3.21Å; R84-W86 PolarHBondContact O-N 3.39Å; R84-G87 PolarHBondContact O-N 2.91Å; R84-E89 HydrophobicContact CG-CB 3.89Å; R84-E89 HydrophobicContact CG-CG 4.26Å; R84-E89 WeakPolarHBondContact CG-O 3.24Å; R84-E89 IonicContact CZ-OE1 3.32Å; R84-E89 IonicContact NE-OE1 3.03Å; R84-E89 PolarHBondContact NE-OE1 2.84Å; R84-E89 IonicContact NH2-OE1 2.82Å; R84-E89 PolarHBondContact NH2-OE1 3.17Å; R84-C91 HydrophobicContact CB-CB 4.46Å; R84-C91 HydrophobicContact CG-CB 4.12Å; R84-R116 VanDerWaalsContact NH1-CD 3.32Å; R84-N117 PolarHBondContact NH1-OD1 3.3Å
85	N	86.4	Confident	85.6	Confident	143 Å²	143	88.5 Å²	88.5	77%	0.765	46%	0.463	S	S	*	.	H	α-helix	trans	-63.3	-30.2	176.3	-71.5	-8.3	0	0	0	112	D81 F82 G87	D81-N85 VanDerWaalsContact O-CG 3.23Å; D81-N85 PolarHBondContact O-N 3.24Å; D81-N85 PolarHBondContact O-OD1 3.24Å; F82-N85 PolarHBondContact O-N 2.57Å; N85-G87 VanDerWaalsContact C-N 3.33Å
86	W	88.3	Confident	84.6	Confident	190 Å²	190	88 Å²	88	72%	0.72	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	3.4	173.9	-87.4	74.2	0	0	0	114.3	F82 M83 R84 I88	F82-W86 AromaticContact CE2-CD1 3.63Å; F82-W86 AromaticContact CE2-NE1 3.46Å; F82-W86 AromaticContact CZ-CD1 3.72Å; F82-W86 HydrophobicContact CZ-CG 4.32Å; F82-W86 AromaticContact CZ-NE1 3.62Å; F82-W86 PolarHBondContact O-N 3.12Å; F82-W86 VanDerWaalsContact O-N 3.09Å; M83-W86 CarbonylContact O-C 3.56Å; M83-W86 PolarHBondContact O-N 2.93Å; R84-W86 PolarHBondContact O-N 3.39Å; W86-I88 HydrophobicContact CB-CD1 4.05Å; W86-I88 HydrophobicContact CB-CG1 4.1Å; W86-I88 PolarHBondContact O-N 3.4Å
87	G	84.9	Confident	84	Confident	68 Å²	68	90.3 Å²	90.3	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	10.2	179.2	0	0	0	0	0	115.1	M83 R84 N85	M83-G87 PolarHBondContact O-N 3.34Å; R84-G87 PolarHBondContact O-N 2.91Å; N85-G87 VanDerWaalsContact C-N 3.33Å
88	I	88.7	Confident	83.5	Confident	112 Å²	112	98 Å²	98	57%	0.574	50%	0.495	S	S	*	.	S	Bend	trans	-75.7	-37.3	179.5	-57.1	171.4	0	0	0	110.4	M83 W86	M83-I88 HydrophobicContact CB-CB 4.2Å; M83-I88 HydrophobicContact CE-CB 4.38Å; M83-I88 HydrophobicContact CE-CG2 3.6Å; M83-I88 WeakPolarHBondContact O-CB 3.48Å; M83-I88 PolarHBondContact O-N 3.04Å; W86-I88 HydrophobicContact CB-CD1 4.05Å; W86-I88 HydrophobicContact CB-CG1 4.1Å; W86-I88 PolarHBondContact O-N 3.4Å
89	E	84.5	Confident	83.1	Confident	40 Å²	40	98.4 Å²	98.4	19%	0.187	50%	0.501	C	S	.	.	S	Bend	trans	-114.3	134.1	178	-169.8	-167.5	136.9	0	0	110.6	R80 M83 R84 C91	R80-E89 WeakPolarHBondContact CB-OE2 3.46Å; R80-E89 WeakPolarHBondContact CG-OE2 3.44Å; R80-E89 IonicContact CZ-OE1 3.76Å; R80-E89 IonicContact CZ-OE2 2.82Å; R80-E89 IonicContact NE-OE1 3.87Å; R80-E89 PolarHBondContact NE-OE1 3.43Å; R80-E89 IonicContact NE-OE2 3.8Å; R80-E89 PolarHBondContact NE-OE2 2.96Å; R80-E89 IonicContact NH2-OE1 2.95Å; R80-E89 PolarHBondContact NH2-OE1 3.24Å; R80-E89 IonicContact NH2-OE2 3.88Å; M83-E89 HydrophobicContact CB-CB 4.15Å; M83-E89 PolarHBondContact O-N 3.48Å; R84-E89 HydrophobicContact CG-CB 3.89Å; R84-E89 HydrophobicContact CG-CG 4.26Å; R84-E89 WeakPolarHBondContact CG-O 3.24Å; R84-E89 IonicContact CZ-OE1 3.32Å; R84-E89 IonicContact NE-OE1 3.03Å; R84-E89 PolarHBondContact NE-OE1 2.84Å; R84-E89 IonicContact NH2-OE1 2.82Å; R84-E89 PolarHBondContact NH2-OE1 3.17Å; E89-C91 PolarHBondContact O-N 3.34Å
90	K	79.1	Confident	82.5	Confident	188 Å²	188	98 Å²	98	82%	0.817	50%	0.497	S	S	*	.			trans	-69.3	130.1	172.9	-69.1	-177.3	179.7	179.9	0	110.5
91	C	76	Confident	81.9	Confident	52 Å²	52	103.9 Å²	103.9	35%	0.351	52%	0.519	S	S	.	.			trans	-101.1	112.8	170.3	-166.6	0	0	0	0	109.2	R84 E89 A93	R84-C91 HydrophobicContact CB-CB 4.46Å; R84-C91 HydrophobicContact CG-CB 4.12Å; E89-C91 PolarHBondContact O-N 3.34Å; C91-A93 PolarHBondContact O-N 3.36Å; C91-A93 WeakPolarHBondContact SG-CB 3.46Å
92	N	77.3	Confident	81.7	Confident	81 Å²	81	110.5 Å²	110.5	43%	0.433	56%	0.555	S	S	.	*			trans	-81.8	4.3	175.3	-64.1	-13.3	0	0	0	112.3	W150	N92-W150 HydrophobicContact CB-CB 4.28Å; N92-W150 HydrophobicContact CB-CD2 3.55Å; N92-W150 HydrophobicContact CB-CE3 3.93Å; N92-W150 HydrophobicContact CB-CG 3.73Å; N92-W150 WeakPolarHBondContact O-CZ3 3.48Å
93	A	76.1	Confident	81.4	Confident	24 Å²	24	111.8 Å²	111.8	20%	0.198	56%	0.56	C	S	.	*	S	Bend	trans	-67.5	142	175	0	0	0	0	0	110.4	C91 V95 W150	C91-A93 PolarHBondContact O-N 3.36Å; C91-A93 WeakPolarHBondContact SG-CB 3.46Å; A93-V95 PolarHBondContact O-N 3.09Å; A93-W150 VanDerWaalsContact CA-CH2 3.45Å; A93-W150 VanDerWaalsContact CA-CZ3 3.47Å; A93-W150 HydrophobicContact CB-CH2 3.55Å; A93-W150 HydrophobicContact CB-CZ2 4.41Å; A93-W150 HydrophobicContact CB-CZ3 4.05Å
94	A	72.1	Confident	80.9	Confident	105 Å²	105	115.2 Å²	115.2	87%	0.868	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.9	127.9	169.6	0	0	0	0	0	109.2
95	V	71.6	Confident	80.3	Confident	122 Å²	122	118 Å²	118	74%	0.739	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-93.3	129.2	175.3	-177.4	0	0	0	0	107.6	A93 R97	A93-V95 PolarHBondContact O-N 3.09Å; V95-R97 PolarHBondContact O-N 3.26Å
96	E	73.3	Confident	79.7	Confident	113 Å²	113	118.8 Å²	118.8	53%	0.528	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-57.9	136.8	172.7	-75.4	-178.8	171	0	0	110.4
97	R	79.9	Confident	78.8	Confident	177 Å²	177	116.7 Å²	116.7	67%	0.668	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-66.4	152.1	177.2	-53.7	-176.5	177.9	176.2	0.1	109.3	V95 E99 Q100	V95-R97 PolarHBondContact O-N 3.26Å; R97-E99 WeakPolarHBondContact CB-OE2 3.47Å; R97-E99 PolarHBondContact O-N 3.12Å; R97-E99 VanDerWaalsContact O-N 3.14Å; R97-Q100 HydrophobicContact CB-CG 4.37Å; R97-Q100 PolarHBondContact O-N 3.15Å
98	K	81.6	Confident	78.2	Confident	166 Å²	166	120 Å²	120	72%	0.722	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-57.7	-33.7	-176.8	-72.8	-176.7	179	178.7	0	111.9	Q100	K98-Q100 PolarHBondContact O-N 3.06Å
99	E	84.4	Confident	77.6	Confident	143 Å²	143	121.2 Å²	121.2	67%	0.668	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-71.8	-11.3	-179.9	-49.3	79.9	-169.6	0	0	113.3	R97	R97-E99 WeakPolarHBondContact CB-OE2 3.47Å; R97-E99 PolarHBondContact O-N 3.12Å; R97-E99 VanDerWaalsContact O-N 3.14Å
100	Q	80.2	Confident	77.5	Confident	79 Å²	79	124.2 Å²	124.2	37%	0.369	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-108.1	-0.1	-175.5	-61.7	-179.4	-57.5	0	0	113.1	R97 K98 D102 F103	R97-Q100 HydrophobicContact CB-CG 4.37Å; R97-Q100 PolarHBondContact O-N 3.15Å; K98-Q100 PolarHBondContact O-N 3.06Å; Q100-D102 PolarHBondContact O-N 3.48Å; Q100-F103 WeakPolarHBondContact O-CB 3.33Å; Q100-F103 PolarHBondContact O-N 3.04Å; Q100-F103 VanDerWaalsContact O-N 3.08Å
101	R	77.6	Confident	77.6	Confident	166 Å²	166	119.9 Å²	119.9	63%	0.626	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-25.2	-176.7	-72.2	-175.6	173.9	-167.5	-3.8	114.1	F103	R101-F103 VanDerWaalsContact C-N 3.28Å
102	D	84	Confident	77.9	Confident	159 Å²	159	120.6 Å²	120.6	85%	0.85	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-2.1	178.8	-59.9	-32.2	0	0	0	112.4	Q100	Q100-D102 PolarHBondContact O-N 3.48Å
103	F	84.4	Confident	78.4	Confident	137 Å²	137	117.2 Å²	117.2	60%	0.601	58%	0.583	S	S	*	*	S	Bend	trans	-77.8	148.6	179	-72.8	19.8	0	0	0	109.7	Q100 R101 P105	Q100-F103 WeakPolarHBondContact O-CB 3.33Å; Q100-F103 PolarHBondContact O-N 3.04Å; Q100-F103 VanDerWaalsContact O-N 3.08Å; R101-F103 VanDerWaalsContact C-N 3.28Å; F103-P105 WeakPolarHBondContact O-CD 3.46Å
104	V	81.2	Confident	79	Confident	131 Å²	131	117.3 Å²	117.3	79%	0.794	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-62.5	123.6	173.4	-178.9	0	0	0	0	108.3	L106	V104-L106 PolarHBondContact O-N 3.33Å
105	P	74.4	Confident	79.7	Confident	81 Å²	81	115.4 Å²	115.4	53%	0.526	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-55.9	131.4	178.3	-26.5	34.8	0	0	0	111.1	F103 Y107	F103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.18Å
106	L	73.6	Confident	80.4	Confident	160 Å²	160	112.9 Å²	112.9	84%	0.838	53%	0.534	S	S	*	.	S	Bend	trans	-73.9	-20.1	178.7	-67.6	175.4	0	0	0	112.9	V104	V104-L106 PolarHBondContact O-N 3.33Å
107	Y	69.3	Low	81.2	Confident	147 Å²	147	107.8 Å²	107.8	58%	0.576	51%	0.51	S	S	*	.	S	Bend	trans	-123.9	152.3	-176.5	-58.6	-74.5	0	0	0	110.9	P105 N112	P105-Y107 VanDerWaalsContact C-N 3.26Å; P105-Y107 PolarHBondContact O-N 3.18Å; Y107-N112 WeakPolarHBondContact CB-OD1 3.06Å
108	Q	73.9	Confident	81.6	Confident	138 Å²	138	100.9 Å²	100.9	65%	0.645	49%	0.486	S	S	*	.			trans	-74.7	146.6	172.1	-63.6	-173	-6	0	0	110.8	F110 E111 N112	Q108-F110 PolarHBondContact O-N 2.9Å; Q108-E111 HydrophobicContact CB-CG 4.3Å; Q108-E111 PolarHBondContact O-N 3.48Å; Q108-N112 PolarHBondContact O-N 2.84Å
109	D	75.8	Confident	82	Confident	136 Å²	136	96.3 Å²	96.3	73%	0.727	47%	0.465	S	S	*	.	H	α-helix	trans	-55.6	-38.2	-177.8	-68.3	-29.1	0	0	0	113.1	N112 F113	D109-N112 PolarHBondContact O-N 2.76Å; D109-F113 WeakPolarHBondContact O-CB 3.36Å; D109-F113 PolarHBondContact O-N 3.37Å
110	F	82	Confident	82.2	Confident	103 Å²	103	90 Å²	90	45%	0.452	44%	0.436	S	S	.	.	H	α-helix	trans	-69.1	-37.7	178.7	-177.4	-102.9	0	0	0	113	Q108 N112 F113 Y114 F490	Q108-F110 PolarHBondContact O-N 2.9Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-F113 HydrophobicContact CE2-CD1 4.44Å; F110-F113 PolarHBondContact O-N 3.04Å; F110-Y114 WeakPolarHBondContact O-CB 3.21Å; F110-Y114 PolarHBondContact O-N 3.42Å; F110-F490 AromaticContact CE1-CE1 3.93Å; F110-F490 HydrophobicContact CE1-CE1 3.93Å; F110-F490 HydrophobicContact CE1-CZ 4.1Å
111	E	80.4	Confident	82.6	Confident	98 Å²	98	89.6 Å²	89.6	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-40.9	177.6	-67.5	-177.8	156.7	0	0	110.9	Q108 Y114 T115	Q108-E111 HydrophobicContact CB-CG 4.3Å; Q108-E111 PolarHBondContact O-N 3.48Å; E111-Y114 PolarHBondContact O-N 3.11Å; E111-T115 VanDerWaalsContact O-CB 3.23Å; E111-T115 WeakPolarHBondContact O-CB 3.26Å; E111-T115 PolarHBondContact O-N 3.19Å; E111-T115 PolarHBondContact O-OG1 3.03Å
112	N	83.2	Confident	83.3	Confident	66 Å²	66	83.3 Å²	83.3	35%	0.353	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-46.6	174.3	-76.2	-25.6	0	0	0	111.4	Y107 Q108 D109 F110 R116	Y107-N112 WeakPolarHBondContact CB-OD1 3.06Å; Q108-N112 PolarHBondContact O-N 2.84Å; D109-N112 PolarHBondContact O-N 2.76Å; F110-N112 VanDerWaalsContact C-N 3.33Å; N112-R116 VanDerWaalsContact O-CB 3.28Å; N112-R116 WeakPolarHBondContact O-CB 3.45Å; N112-R116 PolarHBondContact O-N 3.13Å
113	F	87.9	Confident	83.7	Confident	10 Å²	10	79.3 Å²	79.3	4%	0.044	38%	0.382	C	S	.	.	H	α-helix	trans	-59	-53.1	175.6	173.4	-92.3	0	0	0	111.7	T74 Y78 D81 D109 F110 T115 R116 N117	T74-F113 HydrophobicContact CG2-CE1 3.99Å; T74-F113 HydrophobicContact CG2-CZ 4Å; T74-F113 WeakPolarHBondContact O-CZ 3.49Å; Y78-F113 HydrophobicContact CD1-CD2 4.26Å; Y78-F113 AromaticContact CD1-CE2 3.69Å; Y78-F113 HydrophobicContact CD1-CE2 3.69Å; Y78-F113 HydrophobicContact CD1-CZ 4.4Å; Y78-F113 HydrophobicContact CD2-CE2 4.09Å; Y78-F113 AromaticContact CD2-CZ 3.98Å; Y78-F113 HydrophobicContact CD2-CZ 3.98Å; Y78-F113 HydrophobicContact CE1-CD2 4.01Å; Y78-F113 AromaticContact CE1-CE2 3.77Å; Y78-F113 HydrophobicContact CE1-CE2 3.77Å; Y78-F113 HydrophobicContact CE1-CZ 4.39Å; Y78-F113 HydrophobicContact CE2-CE2 4.18Å; Y78-F113 AromaticContact CE2-CZ 3.99Å; Y78-F113 HydrophobicContact CE2-CZ 3.99Å; Y78-F113 AromaticContact CG-CE2 3.85Å; Y78-F113 HydrophobicContact CG-CE2 3.85Å; Y78-F113 HydrophobicContact CG-CZ 4.19Å; D81-F113 WeakPolarHBondContact OD2-CD2 3.3Å; D109-F113 WeakPolarHBondContact O-CB 3.36Å; D109-F113 PolarHBondContact O-N 3.37Å; F110-F113 HydrophobicContact CE2-CD1 4.44Å; F110-F113 PolarHBondContact O-N 3.04Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.89Å; F113-R116 PolarHBondContact O-N 3.27Å; F113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; F113-N117 VanDerWaalsContact CE2-ND2 3.32Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.28Å; F113-N117 HydrophobicContact CZ-CB 4.49Å; F113-N117 WeakPolarHBondContact O-CB 3.46Å; F113-N117 PolarHBondContact O-N 3.25Å; F113-N117 PolarHBondContact O-ND2 2.92Å
114	Y	87.8	Confident	84	Confident	27 Å²	27	73.8 Å²	73.8	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-45.9	-178.5	-177.5	-92.1	0	0	0	111	F110 E111 L118 Y119 F490	F110-Y114 WeakPolarHBondContact O-CB 3.21Å; F110-Y114 PolarHBondContact O-N 3.42Å; E111-Y114 PolarHBondContact O-N 3.11Å; Y114-L118 HydrophobicContact CD2-CB 4.05Å; Y114-L118 HydrophobicContact CD2-CD1 3.42Å; Y114-L118 VanDerWaalsContact CD2-CD1 3.42Å; Y114-L118 HydrophobicContact CD2-CG 4.32Å; Y114-L118 HydrophobicContact CE2-CB 3.96Å; Y114-L118 HydrophobicContact CE2-CD1 3.6Å; Y114-L118 HydrophobicContact CE2-CG 4.43Å; Y114-L118 HydrophobicContact CG-CB 4.45Å; Y114-L118 HydrophobicContact CG-CD1 4.36Å; Y114-L118 WeakPolarHBondContact O-CA 3.48Å; Y114-L118 WeakPolarHBondContact O-CB 3.43Å; Y114-L118 PolarHBondContact O-N 3.05Å; Y114-Y119 PolarHBondContact O-N 2.84Å; Y114-F490 HydrophobicContact CD2-CD1 4.16Å; Y114-F490 HydrophobicContact CD2-CE1 4.27Å; Y114-F490 HydrophobicContact CE1-CD1 4.32Å; Y114-F490 AromaticContact CE2-CD1 3.71Å; Y114-F490 HydrophobicContact CE2-CD1 3.71Å; Y114-F490 HydrophobicContact CE2-CE1 4.28Å; Y114-F490 AromaticContact CZ-CD1 3.78Å; Y114-F490 PolarHBondContact OH-O 3.4Å
115	T	86.9	Confident	84.6	Confident	65 Å²	65	68.2 Å²	68.2	40%	0.399	33%	0.325	S	S	.	.	I	π-helix	trans	-59.3	-57.6	179.9	-60.2	0	0	0	0	109.9	E111 F113 N117 Y119 M120	E111-T115 VanDerWaalsContact O-CB 3.23Å; E111-T115 WeakPolarHBondContact O-CB 3.26Å; E111-T115 PolarHBondContact O-N 3.19Å; E111-T115 PolarHBondContact O-OG1 3.03Å; F113-T115 VanDerWaalsContact C-N 3.33Å; F113-T115 PolarHBondContact O-N 2.89Å; T115-N117 PolarHBondContact O-N 3.4Å; T115-Y119 HydrophobicContact CG2-CD1 4.21Å; T115-Y119 PolarHBondContact O-N 3.31Å; T115-M120 WeakPolarHBondContact O-CG 3.31Å; T115-M120 PolarHBondContact O-N 3.27Å
116	R	87.3	Confident	85.4	Confident	68 Å²	68	67 Å²	67	26%	0.257	31%	0.31	S	S	.	.	I	π-helix	trans	-62.5	-39.7	-174.7	-178.8	172.5	62.5	-131.3	-1.5	113.3	D81 R84 N112 F113 W150	D81-R116 IonicContact OD1-CZ 3.35Å; D81-R116 IonicContact OD1-NE 2.88Å; D81-R116 PolarHBondContact OD1-NE 3.49Å; D81-R116 IonicContact OD1-NH2 2.89Å; D81-R116 PolarHBondContact OD1-NH2 3.02Å; D81-R116 VanDerWaalsContact OD1-NH2 3.11Å; D81-R116 IonicContact OD2-CZ 3.68Å; D81-R116 IonicContact OD2-NE 3.77Å; D81-R116 IonicContact OD2-NH2 3.14Å; D81-R116 PolarHBondContact OD2-NH2 2.83Å; R84-R116 VanDerWaalsContact NH1-CD 3.32Å; N112-R116 VanDerWaalsContact O-CB 3.28Å; N112-R116 WeakPolarHBondContact O-CB 3.45Å; N112-R116 PolarHBondContact O-N 3.13Å; F113-R116 PolarHBondContact O-N 3.27Å; R116-W150 HydrophobicContact CG-CH2 4.39Å; R116-W150 HydrophobicContact CG-CZ2 4.12Å
117	N	88.9	Confident	86.3	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.032	30%	0.303	C	S	.	.	I	π-helix	trans	-99.8	-32.5	-169.5	-68.8	-48.5	0	0	0	114.3	D81 R84 F113 T115 R121	D81-N117 PolarHBondContact OD1-ND2 2.79Å; D81-N117 PolarHBondContact OD2-ND2 3.19Å; R84-N117 PolarHBondContact NH1-OD1 3.3Å; F113-N117 WeakPolarHBondContact CD2-ND2 3.47Å; F113-N117 VanDerWaalsContact CE2-ND2 3.32Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.28Å; F113-N117 HydrophobicContact CZ-CB 4.49Å; F113-N117 WeakPolarHBondContact O-CB 3.46Å; F113-N117 PolarHBondContact O-N 3.25Å; F113-N117 PolarHBondContact O-ND2 2.92Å; T115-N117 PolarHBondContact O-N 3.4Å; N117-R121 VanDerWaalsContact O-CG 3.22Å; N117-R121 WeakPolarHBondContact O-CG 3.49Å
118	L	88.9	Confident	87.3	Confident	33 Å²	33	61.9 Å²	61.9	17%	0.173	29%	0.288	C	S	.	.	I	π-helix	trans	-110.1	-60.9	-174.2	-62.7	170.9	0	0	0	111.2	Y114 M120 R121	Y114-L118 HydrophobicContact CD2-CB 4.05Å; Y114-L118 HydrophobicContact CD2-CD1 3.42Å; Y114-L118 VanDerWaalsContact CD2-CD1 3.42Å; Y114-L118 HydrophobicContact CD2-CG 4.32Å; Y114-L118 HydrophobicContact CE2-CB 3.96Å; Y114-L118 HydrophobicContact CE2-CD1 3.6Å; Y114-L118 HydrophobicContact CE2-CG 4.43Å; Y114-L118 HydrophobicContact CG-CB 4.45Å; Y114-L118 HydrophobicContact CG-CD1 4.36Å; Y114-L118 WeakPolarHBondContact O-CA 3.48Å; Y114-L118 WeakPolarHBondContact O-CB 3.43Å; Y114-L118 PolarHBondContact O-N 3.05Å; L118-M120 PolarHBondContact O-N 3.41Å; L118-R121 WeakPolarHBondContact O-CB 3.35Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.11Å
119	Y	89.3	Confident	88.3	Confident	69 Å²	69	57.4 Å²	57.4	27%	0.271	27%	0.271	S	S	.	.	I	π-helix	trans	-58.9	-47.2	-175.2	174.5	-106.9	0	0	0	112.6	Y114 T115 R121 I122 R123 W126	Y114-Y119 PolarHBondContact O-N 2.84Å; T115-Y119 HydrophobicContact CG2-CD1 4.21Å; T115-Y119 PolarHBondContact O-N 3.31Å; Y119-R121 PolarHBondContact O-N 2.89Å; Y119-R121 VanDerWaalsContact O-N 3.1Å; Y119-I122 PolarHBondContact O-N 2.99Å; Y119-I122 VanDerWaalsContact O-N 3.07Å; Y119-R123 HydrophobicContact CE1-CB 4.21Å; Y119-R123 HydrophobicContact CE1-CG 3.93Å; Y119-R123 PolarHBondContact O-N 2.75Å; Y119-W126 HydrophobicContact CD2-CZ3 4.32Å; Y119-W126 HydrophobicContact CE2-CE3 4.04Å; Y119-W126 HydrophobicContact CE2-CZ3 4.11Å
120	M	89.4	Confident	89.1	Confident	12 Å²	12	55 Å²	55	6%	0.059	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-28.1	-179.5	-68.8	-52.9	-75	0	0	112.5	T115 L118 I122 N149 W150	T115-M120 WeakPolarHBondContact O-CG 3.31Å; T115-M120 PolarHBondContact O-N 3.27Å; L118-M120 PolarHBondContact O-N 3.41Å; M120-I122 PolarHBondContact O-N 3.25Å; M120-N149 WeakPolarHBondContact CE-O 3.49Å; M120-N149 VanDerWaalsContact O-CB 3.23Å; M120-N149 WeakPolarHBondContact O-CB 3.49Å; M120-N149 PolarHBondContact O-ND2 2.85Å; M120-W150 HydrophobicContact CE-CB 4.13Å; M120-W150 HydrophobicContact CE-CD2 3.69Å; M120-W150 HydrophobicContact CE-CE3 3.93Å; M120-W150 HydrophobicContact CE-CG 3.77Å; M120-W150 HydrophobicContact CG-CZ2 4.37Å
121	R	88.9	Confident	89.6	Confident	70 Å²	70	53 Å²	53	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-23.4	179.8	-64.8	-73.8	126	-172.3	-11	113.8	N117 L118 Y119 N149 R476	N117-R121 VanDerWaalsContact O-CG 3.22Å; N117-R121 WeakPolarHBondContact O-CG 3.49Å; L118-R121 WeakPolarHBondContact O-CB 3.35Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.11Å; Y119-R121 PolarHBondContact O-N 2.89Å; Y119-R121 VanDerWaalsContact O-N 3.1Å; R121-N149 PolarHBondContact O-ND2 2.93Å; R121-R476 PolarHBondContact O-NH2 2.96Å
122	I	91.2	Very high	90.3	Very high	33 Å²	33	50.4 Å²	50.4	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-129.6	6.1	-171.2	57.1	165.9	0	0	0	112.6	Y119 M120 D124 N125 W126 A472	Y119-I122 PolarHBondContact O-N 2.99Å; Y119-I122 VanDerWaalsContact O-N 3.07Å; M120-I122 PolarHBondContact O-N 3.25Å; I122-D124 VanDerWaalsContact C-OD1 3.25Å; I122-D124 WeakPolarHBondContact CA-OD1 3.29Å; I122-D124 PolarHBondContact O-N 3.49Å; I122-N125 WeakPolarHBondContact O-CB 3.22Å; I122-N125 PolarHBondContact O-N 3.4Å; I122-N125 VanDerWaalsContact O-N 3.08Å; I122-N125 PolarHBondContact O-ND2 2.59Å; I122-W126 HydrophobicContact CB-CZ3 4.28Å; I122-W126 HydrophobicContact CD1-CH2 3.62Å; I122-W126 HydrophobicContact CD1-CZ3 4.02Å; I122-W126 HydrophobicContact CG1-CH2 3.95Å; I122-W126 HydrophobicContact CG1-CZ3 3.79Å; I122-W126 WeakPolarHBondContact O-CZ3 3.26Å; I122-A472 HydrophobicContact CB-CB 3.84Å; I122-A472 HydrophobicContact CG2-CB 3.38Å
123	R	92.3	Very high	90.7	Very high	75 Å²	75	49 Å²	49	28%	0.283	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55	-25.3	-178.2	178.4	179.8	172.9	-147.1	7.7	113.7	Y119 N125 W126 N149 W150 F152	Y119-R123 HydrophobicContact CE1-CB 4.21Å; Y119-R123 HydrophobicContact CE1-CG 3.93Å; Y119-R123 PolarHBondContact O-N 2.75Å; R123-N125 PolarHBondContact O-N 3.12Å; R123-N125 VanDerWaalsContact O-N 3.08Å; R123-W126 PolarHBondContact O-N 3.17Å; R123-W126 VanDerWaalsContact O-N 3.14Å; R123-N149 HydrophobicContact CB-CB 3.98Å; R123-N149 PolarHBondContact NH1-O 3.04Å; R123-W150 PolarHBondContact NH1-O 3.07Å; R123-F152 HydrophobicContact CG-CE2 4.18Å; R123-F152 HydrophobicContact CG-CZ 4.46Å
124	D	92.7	Very high	90.9	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.118	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.5	-22.6	176	57.7	-67.4	0	0	0	113.9	I122 W126 R128 R143 N149 F152 R476	I122-D124 VanDerWaalsContact C-OD1 3.25Å; I122-D124 WeakPolarHBondContact CA-OD1 3.29Å; I122-D124 PolarHBondContact O-N 3.49Å; D124-W126 VanDerWaalsContact C-N 3.34Å; D124-W126 PolarHBondContact O-N 3.32Å; D124-R128 PolarHBondContact O-NE 3.35Å; D124-R143 PolarHBondContact O-NH2 3.4Å; D124-N149 PolarHBondContact OD1-ND2 3.27Å; D124-F152 HydrophobicContact CB-CE1 3.97Å; D124-F152 HydrophobicContact CB-CZ 4.06Å; D124-R476 VanDerWaalsContact CG-NH2 3.32Å; D124-R476 IonicContact OD1-CZ 3.47Å; D124-R476 IonicContact OD1-NE 2.85Å; D124-R476 IonicContact OD1-NH2 2.88Å; D124-R476 PolarHBondContact OD1-NH2 3.27Å; D124-R476 IonicContact OD2-CZ 3.28Å; D124-R476 IonicContact OD2-NE 2.9Å; D124-R476 PolarHBondContact OD2-NE 2.99Å; D124-R476 IonicContact OD2-NH2 2.78Å; D124-R476 PolarHBondContact OD2-NH2 2.99Å; D124-R476 VanDerWaalsContact OD2-NH2 3.17Å
125	N	92.6	Very high	91.1	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.07	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-72.7	-18.4	178.6	-67.8	-71	0	0	0	114.6	I122 R123 A472 A475 R476 V487	I122-N125 WeakPolarHBondContact O-CB 3.22Å; I122-N125 PolarHBondContact O-N 3.4Å; I122-N125 VanDerWaalsContact O-N 3.08Å; I122-N125 PolarHBondContact O-ND2 2.59Å; R123-N125 PolarHBondContact O-N 3.12Å; R123-N125 VanDerWaalsContact O-N 3.08Å; N125-A472 PolarHBondContact OD1-O 3.32Å; N125-A475 HydrophobicContact CB-CB 4.07Å; N125-A475 WeakPolarHBondContact OD1-CB 3.33Å; N125-R476 WeakPolarHBondContact OD1-CG 3.38Å; N125-V487 HydrophobicContact CB-CG2 4.36Å
126	W	91.9	Very high	91.5	Very high	55 Å²	55	49.5 Å²	49.5	21%	0.208	26%	0.256	C	S	.	.	S	Bend	trans	-119.5	156.3	-174.4	-62.4	-83.5	0	0	0	113.8	Y119 I122 R123 D124 R128 R143 V487	Y119-W126 HydrophobicContact CD2-CZ3 4.32Å; Y119-W126 HydrophobicContact CE2-CE3 4.04Å; Y119-W126 HydrophobicContact CE2-CZ3 4.11Å; I122-W126 HydrophobicContact CB-CZ3 4.28Å; I122-W126 HydrophobicContact CD1-CH2 3.62Å; I122-W126 HydrophobicContact CD1-CZ3 4.02Å; I122-W126 HydrophobicContact CG1-CH2 3.95Å; I122-W126 HydrophobicContact CG1-CZ3 3.79Å; I122-W126 WeakPolarHBondContact O-CZ3 3.26Å; R123-W126 PolarHBondContact O-N 3.17Å; R123-W126 VanDerWaalsContact O-N 3.14Å; D124-W126 VanDerWaalsContact C-N 3.34Å; D124-W126 PolarHBondContact O-N 3.32Å; W126-R128 VanDerWaalsContact C-N 3.33Å; W126-R128 PolarHBondContact O-N 3.08Å; W126-R143 PolarHBondContact O-NH1 3.3Å; W126-R143 PolarHBondContact O-NH2 3.44Å; W126-V487 HydrophobicContact CZ2-CG2 3.92Å; W126-V487 PolarHBondContact NE1-O 2.88Å
127	N	91.1	Very high	91.9	Very high	129 Å²	129	49.1 Å²	49.1	69%	0.69	26%	0.259	S	S	*	.			trans	59.7	39.4	175.6	-51.8	-41.1	0	0	0	113.2	R143	N127-R143 PolarHBondContact O-NH1 2.89Å
128	R	91.8	Very high	92.2	Very high	72 Å²	72	49.8 Å²	49.8	27%	0.272	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-72.7	127.5	171.2	-65.7	179.7	-176.9	-114.2	8.6	108.9	D124 W126 V140	D124-R128 PolarHBondContact O-NE 3.35Å; W126-R128 VanDerWaalsContact C-N 3.33Å; W126-R128 PolarHBondContact O-N 3.08Å; R128-V140 HydrophobicContact CB-CG1 3.95Å
129	P	93.2	Very high	92.6	Very high	44 Å²	44	50 Å²	50	29%	0.286	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-69.6	136.2	-179.2	-23.4	37.2	0	0	0	112.2	M141 F154	P129-M141 HydrophobicContact CB-CB 4.25Å; P129-M141 PolarHBondContact O-N 3.22Å; P129-F154 HydrophobicContact CG-CE1 3.7Å; P129-F154 HydrophobicContact CG-CZ 3.89Å
130	I	93.8	Very high	92.9	Very high	84 Å²	84	47 Å²	47	43%	0.431	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-95.2	140.9	172.3	-60.5	172.8	0	0	0	107.9	F138 D139	I130-F138 HydrophobicContact CD1-CD1 4.34Å; I130-F138 HydrophobicContact CD1-CD2 4.15Å; I130-F138 HydrophobicContact CD1-CE1 4.35Å; I130-F138 HydrophobicContact CD1-CE2 4.19Å; I130-F138 HydrophobicContact CD1-CG 4.26Å; I130-F138 HydrophobicContact CD1-CZ 4.3Å; I130-F138 HydrophobicContact CG1-CD2 3.98Å; I130-F138 HydrophobicContact CG1-CE2 4.12Å; I130-F138 HydrophobicContact CG1-CG 4.48Å; I130-F138 HydrophobicContact CG2-CB 3.91Å; I130-F138 HydrophobicContact CG2-CD2 4.11Å; I130-F138 HydrophobicContact CG2-CG 4.13Å; I130-D139 CarbonylContact C-O 3.54Å; I130-D139 WeakPolarHBondContact CA-O 3.32Å; I130-D139 WeakPolarHBondContact CG2-O 3.23Å
131	C	93.3	Very high	93.2	Very high	61 Å²	61	49.1 Å²	49.1	41%	0.412	26%	0.262	S	S	.	.			trans	-123.7	11.5	-178.7	53.3	0	0	0	0	114.5	D139 M141	C131-D139 PolarHBondContact N-O 3.23Å; C131-M141 HydrophobicContact CB-CE 4.39Å
132	S	94.3	Very high	93.5	Very high	44 Å²	44	48.5 Å²	48.5	31%	0.308	26%	0.262	S	S	.	.	S	Bend	trans	-124.6	-179.4	171.2	71.6	0	0	0	0	111.7	F138 D139	S132-F138 WeakPolarHBondContact OG-CA 3.49Å; S132-F138 WeakPolarHBondContact OG-CB 3.39Å; S132-D139 PolarHBondContact OG-N 2.87Å
133	A	92.5	Very high	93.6	Very high	38 Å²	38	48.5 Å²	48.5	31%	0.314	26%	0.26	S	S	.	.			trans	-62.5	143.9	167.3	0	0	0	0	0	110.9	G135 K176	A133-G135 PolarHBondContact O-N 2.87Å; A133-K176 HydrophobicContact CB-CB 3.93Å
134	P	90.3	Very high	93.7	Very high	61 Å²	61	47.1 Å²	47.1	40%	0.396	26%	0.26	S	S	.	.			trans	-83.6	56.4	-173.8	35.7	-38	0	0	0	112.9	N169 A174	P134-N169 PolarHBondContact O-ND2 2.99Å; P134-N169 VanDerWaalsContact O-ND2 3.15Å; P134-A174 HydrophobicContact CG-CB 4.17Å
135	G	93.1	Very high	93.7	Very high	9 Å²	9	47.7 Å²	47.7	9%	0.093	27%	0.265	C	S	.	.	S	Bend	trans	-80.4	-162.4	179.5	0	0	0	0	0	114	A133 L137 N164	A133-G135 PolarHBondContact O-N 2.87Å; G135-L137 PolarHBondContact O-N 3.12Å; G135-N164 VanDerWaalsContact O-CB 3.29Å; G135-N164 WeakPolarHBondContact O-CB 3.42Å; G135-N164 PolarHBondContact O-ND2 2.74Å
136	P	94.9	Very high	93.5	Very high	42 Å²	42	52.8 Å²	52.8	27%	0.273	29%	0.293	S	S	.	.	S	Bend	trans	-63.8	-24	172.3	27.4	-34.8	0	0	0	112.5	N164 A507 M512	P136-N164 WeakPolarHBondContact O-CB 3.19Å; P136-N164 PolarHBondContact O-N 2.85Å; P136-A507 HydrophobicContact CB-CB 3.98Å; P136-A507 HydrophobicContact CG-CB 4.03Å; P136-M512 HydrophobicContact CB-CE 4.42Å; P136-M512 HydrophobicContact CB-SD 4.1Å
137	L	95.9	Very high	93.4	Very high	60 Å²	60	51.7 Å²	51.7	31%	0.314	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144	167.4	-60.6	174.5	0	0	0	108.9	G135 D161 V162 I163 M512	G135-L137 PolarHBondContact O-N 3.12Å; L137-D161 HydrophobicContact CD1-CB 4.41Å; L137-V162 WeakPolarHBondContact CA-O 3.44Å; L137-I163 HydrophobicContact CD2-CB 4.36Å; L137-I163 HydrophobicContact CD2-CG1 3.8Å; L137-M512 HydrophobicContact CD1-CE 3.9Å; L137-M512 HydrophobicContact CD2-CE 3.94Å; L137-M512 HydrophobicContact CG-CE 3.73Å
138	F	95.9	Very high	93.2	Very high	19 Å²	19	53 Å²	53	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.6	169	61.8	-110.6	0	0	0	112.7	I130 S132 V140 V162 N164	I130-F138 HydrophobicContact CD1-CD1 4.34Å; I130-F138 HydrophobicContact CD1-CD2 4.15Å; I130-F138 HydrophobicContact CD1-CE1 4.35Å; I130-F138 HydrophobicContact CD1-CE2 4.19Å; I130-F138 HydrophobicContact CD1-CG 4.26Å; I130-F138 HydrophobicContact CD1-CZ 4.3Å; I130-F138 HydrophobicContact CG1-CD2 3.98Å; I130-F138 HydrophobicContact CG1-CE2 4.12Å; I130-F138 HydrophobicContact CG1-CG 4.48Å; I130-F138 HydrophobicContact CG2-CB 3.91Å; I130-F138 HydrophobicContact CG2-CD2 4.11Å; I130-F138 HydrophobicContact CG2-CG 4.13Å; S132-F138 WeakPolarHBondContact OG-CA 3.49Å; S132-F138 WeakPolarHBondContact OG-CB 3.39Å; F138-V140 HydrophobicContact CD2-CG2 3.64Å; F138-V140 HydrophobicContact CE2-CG2 3.31Å; F138-V162 HydrophobicContact CD2-CB 4.23Å; F138-V162 HydrophobicContact CE2-CB 4.07Å; F138-V162 HydrophobicContact CE2-CG1 3.97Å; F138-V162 HydrophobicContact CZ-CG1 4.25Å; F138-V162 PolarHBondContact N-O 3.38Å; F138-V162 WeakPolarHBondContact O-CA 3.4Å; F138-V162 VanDerWaalsContact O-CB 3.29Å; F138-V162 WeakPolarHBondContact O-CB 3.46Å; F138-V162 PolarHBondContact O-N 3.19Å; F138-N164 HydrophobicContact CD1-CB 3.51Å; F138-N164 HydrophobicContact CE1-CB 3.41Å; F138-N164 VanDerWaalsContact CE1-CB 3.41Å
139	D	96.6	Very high	93.2	Very high	38 Å²	38	50.5 Å²	50.5	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135	177.1	-66.6	-15.4	0	0	0	110.5	I130 C131 S132 V158 I159 K160 D161	I130-D139 CarbonylContact C-O 3.54Å; I130-D139 WeakPolarHBondContact CA-O 3.32Å; I130-D139 WeakPolarHBondContact CG2-O 3.23Å; C131-D139 PolarHBondContact N-O 3.23Å; S132-D139 PolarHBondContact OG-N 2.87Å; D139-V158 HydrophobicContact CB-CG1 3.65Å; D139-I159 WeakPolarHBondContact CA-O 3.42Å; D139-K160 VanDerWaalsContact OD1-CA 3.28Å; D139-K160 WeakPolarHBondContact OD1-CA 3.45Å; D139-D161 PolarHBondContact OD1-N 2.7Å; D139-D161 VanDerWaalsContact OD1-N 3.1Å
140	V	96.3	Very high	93	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.4	178.8	-178.8	0	0	0	0	110.3	R128 F138 E142 I159 V162	R128-V140 HydrophobicContact CB-CG1 3.95Å; F138-V140 HydrophobicContact CD2-CG2 3.64Å; F138-V140 HydrophobicContact CE2-CG2 3.31Å; V140-E142 PolarHBondContact O-N 2.89Å; V140-I159 HydrophobicContact CB-CB 4.36Å; V140-I159 PolarHBondContact N-O 3.48Å; V140-I159 PolarHBondContact O-N 3.31Å; V140-V162 HydrophobicContact CG2-CB 4.3Å; V140-V162 HydrophobicContact CG2-CG1 4.49Å; V140-V162 HydrophobicContact CG2-CG2 3.95Å
141	M	95.3	Very high	92.8	Very high	58 Å²	58	51.6 Å²	51.6	29%	0.286	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.9	171.2	-166.8	174	-67	0	0	110.1	P129 C131 F154	P129-M141 HydrophobicContact CB-CB 4.25Å; P129-M141 PolarHBondContact O-N 3.22Å; C131-M141 HydrophobicContact CB-CE 4.39Å; M141-F154 HydrophobicContact CG-CD1 3.72Å; M141-F154 HydrophobicContact CG-CE1 4.25Å; M141-F154 HydrophobicContact CG-CG 4.25Å; M141-F154 HydrophobicContact SD-CB 4.09Å; M141-F154 HydrophobicContact SD-CD1 3.42Å; M141-F154 WeakPolarHBondContact SD-CD1 3.44Å; M141-F154 HydrophobicContact SD-CD2 3.97Å; M141-F154 HydrophobicContact SD-CE1 3.77Å; M141-F154 HydrophobicContact SD-CE2 4.26Å; M141-F154 HydrophobicContact SD-CG 3.54Å; M141-F154 VanDerWaalsContact SD-CG 3.54Å; M141-F154 HydrophobicContact SD-CZ 4.17Å
142	E	94.4	Very high	92.9	Very high	56 Å²	56	51 Å²	51	26%	0.262	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135	177.1	-176.7	-174.5	-114.6	0	0	110.2	V140 T155 R157	V140-E142 PolarHBondContact O-N 2.89Å; E142-T155 WeakPolarHBondContact CB-OG1 3.32Å; E142-T155 HydrophobicContact CG-CG2 4.08Å; E142-T155 PolarHBondContact O-N 3.19Å; E142-T155 VanDerWaalsContact OE2-CB 3.3Å; E142-T155 WeakPolarHBondContact OE2-CB 3.03Å; E142-T155 WeakPolarHBondContact OE2-CG2 3.4Å; E142-T155 PolarHBondContact OE2-OG1 3.38Å; E142-R157 HydrophobicContact CB-CB 4.24Å; E142-R157 WeakPolarHBondContact CB-O 3.3Å; E142-R157 PolarHBondContact N-O 3.09Å; E142-R157 WeakPolarHBondContact OE2-CD 3.46Å
143	R	94.2	Very high	92.9	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.125	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.5	174.7	69.7	-177.4	-174.7	-177.8	-1.2	109.7	D124 W126 N127 F152 R153 F154	D124-R143 PolarHBondContact O-NH2 3.4Å; W126-R143 PolarHBondContact O-NH1 3.3Å; W126-R143 PolarHBondContact O-NH2 3.44Å; N127-R143 PolarHBondContact O-NH1 2.89Å; R143-F152 HydrophobicContact CB-CB 4.29Å; R143-F152 HydrophobicContact CB-CD1 4.43Å; R143-F152 HydrophobicContact CG-CB 4.43Å; R143-F152 HydrophobicContact CG-CD1 3.88Å; R143-F152 HydrophobicContact CG-CE1 4.5Å; R143-F152 HydrophobicContact CG-CG 4.32Å; R143-R153 VanDerWaalsContact CA-O 3.3Å; R143-R153 WeakPolarHBondContact CA-O 3.5Å; R143-F154 HydrophobicContact CB-CD1 4.01Å; R143-F154 HydrophobicContact CB-CE1 4.24Å
144	V	93.3	Very high	93	Very high	46 Å²	46	58.9 Å²	58.9	28%	0.279	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.5	176.7	-64.3	0	0	0	0	109.4	F152 R153 T155	V144-F152 WeakPolarHBondContact O-CA 3.46Å; V144-R153 HydrophobicContact CG2-CG 3.72Å; V144-R153 PolarHBondContact N-O 2.76Å; V144-R153 PolarHBondContact O-N 3.45Å; V144-T155 HydrophobicContact CB-CG2 4.33Å; V144-T155 HydrophobicContact CG1-CG2 3.68Å; V144-T155 HydrophobicContact CG2-CG2 3.79Å
145	S	92.5	Very high	93.2	Very high	34 Å²	34	58.1 Å²	58.1	24%	0.238	29%	0.286	C	S	.	.			trans	-126.6	129.8	174.4	173.4	0	0	0	0	109.1	D147 N149 T151	S145-D147 PolarHBondContact OG-N 3.04Å; S145-D147 PolarHBondContact OG-OD1 2.77Å; S145-N149 WeakPolarHBondContact OG-CA 3.44Å; S145-N149 PolarHBondContact OG-N 3.5Å; S145-T151 WeakPolarHBondContact CB-O 3.29Å; S145-T151 PolarHBondContact OG-O 3.13Å
146	D	90.1	Very high	93.2	Very high	120 Å²	120	61 Å²	61	64%	0.642	32%	0.315	S	S	*	.	S	Bend	trans	-100.1	4	176.8	-51.9	-59.2	0	0	0	111.3	R153	D146-R153 IonicContact OD1-NH2 2.71Å; D146-R153 PolarHBondContact OD1-NH2 3.26Å; D146-R153 IonicContact OD2-CZ 2.75Å; D146-R153 IonicContact OD2-NE 3.11Å; D146-R153 PolarHBondContact OD2-NE 2.92Å; D146-R153 IonicContact OD2-NH2 2.75Å; D146-R153 PolarHBondContact OD2-NH2 3.44Å
147	D	88.9	Confident	93.3	Very high	33 Å²	33	67.6 Å²	67.6	18%	0.176	33%	0.334	C	S	.	.	S	Bend	trans	-132.9	25.8	-169.7	69.5	-0.1	0	0	0	113.5	S145 W150 T151	S145-D147 PolarHBondContact OG-N 3.04Å; S145-D147 PolarHBondContact OG-OD1 2.77Å; D147-W150 HydrophobicContact CB-CB 4.45Å; D147-W150 PolarHBondContact OD1-N 3.15Å; D147-W150 WeakPolarHBondContact OD2-CB 3.41Å; D147-T151 VanDerWaalsContact CG-N 3.33Å; D147-T151 VanDerWaalsContact CG-OG1 3.29Å; D147-T151 PolarHBondContact OD1-N 3.49Å; D147-T151 WeakPolarHBondContact OD2-CB 3.36Å; D147-T151 WeakPolarHBondContact OD2-CG2 2.69Å; D147-T151 PolarHBondContact OD2-N 3.12Å; D147-T151 PolarHBondContact OD2-OG1 2.64Å
148	Y	86.4	Confident	93.3	Very high	157 Å²	157	67.6 Å²	67.6	62%	0.616	34%	0.337	S	S	*	.	S	Bend	trans	63.2	47.9	-177.1	-53.8	-84.5	0	0	0	114	W150	Y148-W150 VanDerWaalsContact C-N 3.27Å; Y148-W150 PolarHBondContact O-N 3.46Å
149	N	91.3	Very high	93.3	Very high	19 Å²	19	68.6 Å²	68.6	10%	0.102	34%	0.343	C	S	.	.	S	Bend	trans	64.3	19.2	177.5	-49.7	-42.1	0	0	0	115.6	M120 R121 R123 D124 S145 F152	M120-N149 WeakPolarHBondContact CE-O 3.49Å; M120-N149 VanDerWaalsContact O-CB 3.23Å; M120-N149 WeakPolarHBondContact O-CB 3.49Å; M120-N149 PolarHBondContact O-ND2 2.85Å; R121-N149 PolarHBondContact O-ND2 2.93Å; R123-N149 HydrophobicContact CB-CB 3.98Å; R123-N149 PolarHBondContact NH1-O 3.04Å; D124-N149 PolarHBondContact OD1-ND2 3.27Å; S145-N149 WeakPolarHBondContact OG-CA 3.44Å; S145-N149 PolarHBondContact OG-N 3.5Å; N149-F152 HydrophobicContact CB-CE1 4.24Å; N149-F152 HydrophobicContact CB-CE2 4.28Å; N149-F152 HydrophobicContact CB-CZ 3.63Å
150	W	89	Confident	93.3	Very high	59 Å²	59	72.8 Å²	72.8	22%	0.223	36%	0.359	C	S	.	.	S	Bend	trans	-68.3	-46.9	172	-78.1	81.7	0	0	0	110.5	N92 A93 R116 M120 R123 D147 Y148	N92-W150 HydrophobicContact CB-CB 4.28Å; N92-W150 HydrophobicContact CB-CD2 3.55Å; N92-W150 HydrophobicContact CB-CE3 3.93Å; N92-W150 HydrophobicContact CB-CG 3.73Å; N92-W150 WeakPolarHBondContact O-CZ3 3.48Å; A93-W150 VanDerWaalsContact CA-CH2 3.45Å; A93-W150 VanDerWaalsContact CA-CZ3 3.47Å; A93-W150 HydrophobicContact CB-CH2 3.55Å; A93-W150 HydrophobicContact CB-CZ2 4.41Å; A93-W150 HydrophobicContact CB-CZ3 4.05Å; R116-W150 HydrophobicContact CG-CH2 4.39Å; R116-W150 HydrophobicContact CG-CZ2 4.12Å; M120-W150 HydrophobicContact CE-CB 4.13Å; M120-W150 HydrophobicContact CE-CD2 3.69Å; M120-W150 HydrophobicContact CE-CE3 3.93Å; M120-W150 HydrophobicContact CE-CG 3.77Å; M120-W150 HydrophobicContact CG-CZ2 4.37Å; R123-W150 PolarHBondContact NH1-O 3.07Å; D147-W150 HydrophobicContact CB-CB 4.45Å; D147-W150 PolarHBondContact OD1-N 3.15Å; D147-W150 WeakPolarHBondContact OD2-CB 3.41Å; Y148-W150 VanDerWaalsContact C-N 3.27Å; Y148-W150 PolarHBondContact O-N 3.46Å
151	T	91.3	Very high	93.3	Very high	91 Å²	91	76.9 Å²	76.9	56%	0.558	38%	0.381	S	S	*	.	S	Bend	trans	-125	158	172.3	65	0	0	0	0	110.6	S145 D147	S145-T151 WeakPolarHBondContact CB-O 3.29Å; S145-T151 PolarHBondContact OG-O 3.13Å; D147-T151 VanDerWaalsContact CG-N 3.33Å; D147-T151 VanDerWaalsContact CG-OG1 3.29Å; D147-T151 PolarHBondContact OD1-N 3.49Å; D147-T151 WeakPolarHBondContact OD2-CB 3.36Å; D147-T151 WeakPolarHBondContact OD2-CG2 2.69Å; D147-T151 PolarHBondContact OD2-N 3.12Å; D147-T151 PolarHBondContact OD2-OG1 2.64Å
152	F	94.2	Very high	93.4	Very high	50 Å²	50	74.1 Å²	74.1	22%	0.219	37%	0.367	C	S	.	.			trans	-127.7	137	174	-69.3	-76.5	0	0	0	108.8	R123 D124 R143 V144 N149	R123-F152 HydrophobicContact CG-CE2 4.18Å; R123-F152 HydrophobicContact CG-CZ 4.46Å; D124-F152 HydrophobicContact CB-CE1 3.97Å; D124-F152 HydrophobicContact CB-CZ 4.06Å; R143-F152 HydrophobicContact CB-CB 4.29Å; R143-F152 HydrophobicContact CB-CD1 4.43Å; R143-F152 HydrophobicContact CG-CB 4.43Å; R143-F152 HydrophobicContact CG-CD1 3.88Å; R143-F152 HydrophobicContact CG-CE1 4.5Å; R143-F152 HydrophobicContact CG-CG 4.32Å; V144-F152 WeakPolarHBondContact O-CA 3.46Å; N149-F152 HydrophobicContact CB-CE1 4.24Å; N149-F152 HydrophobicContact CB-CE2 4.28Å; N149-F152 HydrophobicContact CB-CZ 3.63Å
153	R	94.8	Very high	93.6	Very high	130 Å²	130	72.1 Å²	72.1	49%	0.491	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.6	166.6	62.8	179	174.2	84	4.3	109.8	R143 V144 D146	R143-R153 VanDerWaalsContact CA-O 3.3Å; R143-R153 WeakPolarHBondContact CA-O 3.5Å; V144-R153 HydrophobicContact CG2-CG 3.72Å; V144-R153 PolarHBondContact N-O 2.76Å; V144-R153 PolarHBondContact O-N 3.45Å; D146-R153 IonicContact OD1-NH2 2.71Å; D146-R153 PolarHBondContact OD1-NH2 3.26Å; D146-R153 IonicContact OD2-CZ 2.75Å; D146-R153 IonicContact OD2-NE 3.11Å; D146-R153 PolarHBondContact OD2-NE 2.92Å; D146-R153 IonicContact OD2-NH2 2.75Å; D146-R153 PolarHBondContact OD2-NH2 3.44Å
154	F	94.8	Very high	93.8	Very high	117 Å²	117	70.9 Å²	70.9	51%	0.513	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.6	172.5	-61.1	-55.9	0	0	0	110	P129 M141 R143 G156	P129-F154 HydrophobicContact CG-CE1 3.7Å; P129-F154 HydrophobicContact CG-CZ 3.89Å; M141-F154 HydrophobicContact CG-CD1 3.72Å; M141-F154 HydrophobicContact CG-CE1 4.25Å; M141-F154 HydrophobicContact CG-CG 4.25Å; M141-F154 HydrophobicContact SD-CB 4.09Å; M141-F154 HydrophobicContact SD-CD1 3.42Å; M141-F154 WeakPolarHBondContact SD-CD1 3.44Å; M141-F154 HydrophobicContact SD-CD2 3.97Å; M141-F154 HydrophobicContact SD-CE1 3.77Å; M141-F154 HydrophobicContact SD-CE2 4.26Å; M141-F154 HydrophobicContact SD-CG 3.54Å; M141-F154 VanDerWaalsContact SD-CG 3.54Å; M141-F154 HydrophobicContact SD-CZ 4.17Å; R143-F154 HydrophobicContact CB-CD1 4.01Å; R143-F154 HydrophobicContact CB-CE1 4.24Å; F154-G156 VanDerWaalsContact C-N 3.32Å
155	T	94.3	Very high	93.9	Very high	45 Å²	45	68.7 Å²	68.7	28%	0.276	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-11.8	177.6	64	0	0	0	0	112.5	E142 V144 R157	E142-T155 WeakPolarHBondContact CB-OG1 3.32Å; E142-T155 HydrophobicContact CG-CG2 4.08Å; E142-T155 PolarHBondContact O-N 3.19Å; E142-T155 VanDerWaalsContact OE2-CB 3.3Å; E142-T155 WeakPolarHBondContact OE2-CB 3.03Å; E142-T155 WeakPolarHBondContact OE2-CG2 3.4Å; E142-T155 PolarHBondContact OE2-OG1 3.38Å; V144-T155 HydrophobicContact CB-CG2 4.33Å; V144-T155 HydrophobicContact CG1-CG2 3.68Å; V144-T155 HydrophobicContact CG2-CG2 3.79Å; T155-R157 PolarHBondContact O-N 2.61Å; T155-R157 WeakPolarHBondContact OG1-CB 3.48Å; T155-R157 PolarHBondContact OG1-N 3Å
156	G	93.1	Very high	94	Very high	68 Å²	68	67.7 Å²	67.7	70%	0.701	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79.8	-7.2	-169.6	0	0	0	0	0	113.7	F154	F154-G156 VanDerWaalsContact C-N 3.32Å
157	R	95.7	Very high	94.2	Very high	181 Å²	181	63.6 Å²	63.6	68%	0.683	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	148.9	174.9	-60.6	-176.9	178.6	-169.3	-0.8	110.9	E142 T155	E142-R157 HydrophobicContact CB-CB 4.24Å; E142-R157 WeakPolarHBondContact CB-O 3.3Å; E142-R157 PolarHBondContact N-O 3.09Å; E142-R157 WeakPolarHBondContact OE2-CD 3.46Å; T155-R157 PolarHBondContact O-N 2.61Å; T155-R157 WeakPolarHBondContact OG1-CB 3.48Å; T155-R157 PolarHBondContact OG1-N 3Å
158	V	97.1	Very high	94.5	Very high	61 Å²	61	64.5 Å²	64.5	37%	0.37	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.4	178.1	177.7	0	0	0	0	108.5	D139 K160	D139-V158 HydrophobicContact CB-CG1 3.65Å; V158-K160 HydrophobicContact CG1-CG 4.1Å; V158-K160 PolarHBondContact O-N 2.96Å
159	I	96.5	Very high	95	Very high	40 Å²	40	57.5 Å²	57.5	21%	0.205	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	104.9	170	-52.6	172.9	0	0	0	106.1	D139 V140 V162 L479 K482	D139-I159 WeakPolarHBondContact CA-O 3.42Å; V140-I159 HydrophobicContact CB-CB 4.36Å; V140-I159 PolarHBondContact N-O 3.48Å; V140-I159 PolarHBondContact O-N 3.31Å; I159-V162 HydrophobicContact CB-CG2 4.29Å; I159-V162 HydrophobicContact CG2-CG2 3.66Å; I159-L479 HydrophobicContact CD1-CD2 4.11Å; I159-L479 HydrophobicContact CD1-CG 4.33Å; I159-K482 HydrophobicContact CG2-CG 4.48Å
160	K	96.7	Very high	95.3	Very high	126 Å²	126	56.6 Å²	56.6	55%	0.548	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	152.2	-176.1	-66.2	-171.4	174.6	-173.2	0	112.9	D139 V158 V162	D139-K160 VanDerWaalsContact OD1-CA 3.28Å; D139-K160 WeakPolarHBondContact OD1-CA 3.45Å; V158-K160 HydrophobicContact CG1-CG 4.1Å; V158-K160 PolarHBondContact O-N 2.96Å; K160-V162 PolarHBondContact O-N 3.03Å
161	D	95.8	Very high	95.6	Very high	90 Å²	90	53.8 Å²	53.8	48%	0.481	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.4	46.1	168.7	-53.5	-54.1	0	0	0	113	L137 D139	L137-D161 HydrophobicContact CD1-CB 4.41Å; D139-D161 PolarHBondContact OD1-N 2.7Å; D139-D161 VanDerWaalsContact OD1-N 3.1Å
162	V	97.9	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.5	174.9	179.2	0	0	0	0	109.4	L137 F138 V140 I159 K160 N164 L479 K482	L137-V162 WeakPolarHBondContact CA-O 3.44Å; F138-V162 HydrophobicContact CD2-CB 4.23Å; F138-V162 HydrophobicContact CE2-CB 4.07Å; F138-V162 HydrophobicContact CE2-CG1 3.97Å; F138-V162 HydrophobicContact CZ-CG1 4.25Å; F138-V162 PolarHBondContact N-O 3.38Å; F138-V162 WeakPolarHBondContact O-CA 3.4Å; F138-V162 VanDerWaalsContact O-CB 3.29Å; F138-V162 WeakPolarHBondContact O-CB 3.46Å; F138-V162 PolarHBondContact O-N 3.19Å; V140-V162 HydrophobicContact CG2-CB 4.3Å; V140-V162 HydrophobicContact CG2-CG1 4.49Å; V140-V162 HydrophobicContact CG2-CG2 3.95Å; I159-V162 HydrophobicContact CB-CG2 4.29Å; I159-V162 HydrophobicContact CG2-CG2 3.66Å; K160-V162 PolarHBondContact O-N 3.03Å; V162-N164 PolarHBondContact O-N 3.12Å; V162-L479 HydrophobicContact CG1-CD1 4.05Å; V162-L479 HydrophobicContact CG2-CD1 4.19Å; V162-K482 CarbonylContact C-O 3.5Å; V162-K482 VanDerWaalsContact CA-O 3.29Å; V162-K482 WeakPolarHBondContact CA-O 3.3Å
163	I	98.1	Very high	95.8	Very high	15 Å²	15	48.8 Å²	48.8	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	119.6	177.6	-55.9	177	0	0	0	109.5	L137 M165 K482 I483 G484 T515 V516	L137-I163 HydrophobicContact CD2-CB 4.36Å; L137-I163 HydrophobicContact CD2-CG1 3.8Å; I163-M165 HydrophobicContact CG2-CG 4.12Å; I163-M165 HydrophobicContact CG2-SD 4.26Å; I163-M165 PolarHBondContact O-N 3.03Å; I163-K482 PolarHBondContact N-O 3.11Å; I163-I483 HydrophobicContact CD1-CG1 4.47Å; I163-G484 PolarHBondContact O-N 3.03Å; I163-T515 HydrophobicContact CD1-CG2 3.97Å; I163-V516 HydrophobicContact CB-CG2 4.45Å; I163-V516 HydrophobicContact CD1-CG2 4.16Å; I163-V516 HydrophobicContact CG2-CG2 3.9Å
164	N	97.1	Very high	95.6	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.032	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	100.1	-176.8	-178.3	-2.5	0	0	0	111.3	G135 P136 F138 V162 G166 S167 H508	G135-N164 VanDerWaalsContact O-CB 3.29Å; G135-N164 WeakPolarHBondContact O-CB 3.42Å; G135-N164 PolarHBondContact O-ND2 2.74Å; P136-N164 WeakPolarHBondContact O-CB 3.19Å; P136-N164 PolarHBondContact O-N 2.85Å; F138-N164 HydrophobicContact CD1-CB 3.51Å; F138-N164 HydrophobicContact CE1-CB 3.41Å; F138-N164 VanDerWaalsContact CE1-CB 3.41Å; V162-N164 PolarHBondContact O-N 3.12Å; N164-G166 PolarHBondContact OD1-N 3.12Å; N164-S167 WeakPolarHBondContact ND2-CB 3.46Å; N164-S167 PolarHBondContact ND2-OG 3.27Å; N164-S167 VanDerWaalsContact OD1-CB 3.31Å; N164-S167 WeakPolarHBondContact OD1-CB 3.3Å; N164-S167 PolarHBondContact OD1-N 3.02Å; N164-S167 VanDerWaalsContact OD1-N 3.13Å; N164-S167 PolarHBondContact OD1-OG 3.43Å; N164-H508 PolarHBondContact O-CE1 3.46Å; N164-H508 VanDerWaalsContact O-CE1 3.25Å; N164-H508 PolarHBondContact O-NE2 3.44Å
165	M	97.3	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.			trans	-110.8	10	175.6	-66	-58.6	-68.1	0	0	113.2	I163 F441 I483 G484 F502 C503 H508 L513 V516	I163-M165 HydrophobicContact CG2-CG 4.12Å; I163-M165 HydrophobicContact CG2-SD 4.26Å; I163-M165 PolarHBondContact O-N 3.03Å; M165-F441 HydrophobicContact CE-CE1 4.11Å; M165-F441 HydrophobicContact CE-CE2 3.99Å; M165-F441 HydrophobicContact CE-CZ 3.77Å; M165-I483 HydrophobicContact CB-CG2 4.46Å; M165-I483 HydrophobicContact CG-CG2 3.98Å; M165-G484 CarbonylContact C-O 3.54Å; M165-G484 WeakPolarHBondContact CA-O 3.36Å; M165-G484 WeakPolarHBondContact CB-O 3.43Å; M165-G484 PolarHBondContact N-O 3.29Å; M165-F502 HydrophobicContact CB-CD1 3.79Å; M165-F502 HydrophobicContact CB-CE1 4.24Å; M165-F502 HydrophobicContact CE-CB 4.41Å; M165-F502 HydrophobicContact CE-CD1 3.89Å; M165-F502 HydrophobicContact CG-CD1 4.31Å; M165-F502 CarbonylContact O-C 3.56Å; M165-F502 WeakPolarHBondContact O-CA 3.31Å; M165-C503 PolarHBondContact O-N 3.42Å; M165-H508 VanDerWaalsContact SD-CE1 3.54Å; M165-L513 HydrophobicContact CE-CD2 4.22Å; M165-L513 HydrophobicContact SD-CD2 4.46Å; M165-V516 HydrophobicContact CE-CG1 4.3Å; M165-V516 HydrophobicContact CG-CG1 4.25Å; M165-V516 HydrophobicContact CG-CG2 3.91Å; M165-V516 HydrophobicContact SD-CG2 4.17Å
166	G	93.8	Very high	94.9	Very high	14 Å²	14	46.2 Å²	46.2	14%	0.144	25%	0.251	C	S	.	.	S	Bend	trans	-117.7	-10.1	-171.2	0	0	0	0	0	115.7	N164 G484	N164-G166 PolarHBondContact OD1-N 3.12Å; G166-G484 PolarHBondContact N-O 2.66Å
167	S	94.2	Very high	94.7	Very high	33 Å²	33	48.5 Å²	48.5	23%	0.231	24%	0.239	C	C	.	.			trans	-92.5	148.9	-175.6	80.2	0	0	0	0	113	N164 N169 C503	N164-S167 WeakPolarHBondContact ND2-CB 3.46Å; N164-S167 PolarHBondContact ND2-OG 3.27Å; N164-S167 VanDerWaalsContact OD1-CB 3.31Å; N164-S167 WeakPolarHBondContact OD1-CB 3.3Å; N164-S167 PolarHBondContact OD1-N 3.02Å; N164-S167 VanDerWaalsContact OD1-N 3.13Å; N164-S167 PolarHBondContact OD1-OG 3.43Å; S167-N169 PolarHBondContact O-N 3.3Å; S167-N169 WeakPolarHBondContact OG-CB 3.34Å; S167-N169 PolarHBondContact OG-N 2.9Å; S167-C503 WeakPolarHBondContact O-CB 3.33Å
168	Y	95.6	Very high	94.5	Very high	53 Å²	53	43.4 Å²	43.4	21%	0.208	23%	0.226	C	C	.	.			trans	-82.3	22.9	172.6	-55.2	-45.1	0	0	0	113.3	F170 H339 K371 S372 R501 C503	Y168-F170 HydrophobicContact CD1-CE1 4.32Å; Y168-F170 AromaticContact CD1-CZ 3.88Å; Y168-F170 HydrophobicContact CD1-CZ 3.88Å; Y168-F170 HydrophobicContact CG-CZ 4.42Å; Y168-F170 PolarHBondContact O-N 3Å; Y168-H339 AromaticContact CD1-CE1 3.62Å; Y168-H339 AromaticContact CD2-CE1 3.81Å; Y168-H339 AromaticContact CE1-CE1 3.45Å; Y168-H339 VanDerWaalsContact CE1-CE1 3.45Å; Y168-H339 WeakPolarHBondContact CE1-CE1 3.45Å; Y168-H339 AromaticContact CE2-CE1 3.62Å; Y168-H339 AromaticContact CG-CE1 3.79Å; Y168-H339 AromaticContact CZ-CE1 3.42Å; Y168-H339 VanDerWaalsContact CZ-CE1 3.42Å; Y168-K371 HydrophobicContact CD2-CD 4.02Å; Y168-K371 HydrophobicContact CD2-CG 4.06Å; Y168-K371 HydrophobicContact CG-CD 4.18Å; Y168-K371 HydrophobicContact CG-CG 4.18Å; Y168-K371 CarbonylContact O-C 3.6Å; Y168-K371 VanDerWaalsContact O-CA 3.24Å; Y168-K371 WeakPolarHBondContact O-CA 3.41Å; Y168-K371 WeakPolarHBondContact O-CB 3.28Å; Y168-S372 PolarHBondContact O-N 3.44Å; Y168-R501 PolarHBondContact OH-NE 3.27Å; Y168-R501 PolarHBondContact OH-NH1 3.07Å; Y168-R501 PolarHBondContact OH-NH2 3.49Å; Y168-C503 HydrophobicContact CD1-CB 4.39Å; Y168-C503 VanDerWaalsContact CD1-SG 3.57Å; Y168-C503 VanDerWaalsContact CE1-SG 3.52Å
169	N	96.2	Very high	94.2	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.053	23%	0.234	C	C	.	.			trans	-76.9	59.8	177	-172.2	15.6	0	0	0	110.3	P134 S167 L171 G172 L173 A174 S505	P134-N169 PolarHBondContact O-ND2 2.99Å; P134-N169 VanDerWaalsContact O-ND2 3.15Å; S167-N169 PolarHBondContact O-N 3.3Å; S167-N169 WeakPolarHBondContact OG-CB 3.34Å; S167-N169 PolarHBondContact OG-N 2.9Å; N169-L171 VanDerWaalsContact C-N 3.33Å; N169-L171 PolarHBondContact O-N 2.73Å; N169-G172 PolarHBondContact O-N 3.37Å; N169-G172 VanDerWaalsContact OD1-CA 3.26Å; N169-G172 WeakPolarHBondContact OD1-CA 3.2Å; N169-G172 PolarHBondContact OD1-N 3.24Å; N169-L173 PolarHBondContact OD1-N 2.8Å; N169-A174 PolarHBondContact ND2-O 3.44Å; N169-A174 PolarHBondContact OD1-N 2.95Å; N169-S505 WeakPolarHBondContact O-CB 3.44Å; N169-S505 PolarHBondContact O-OG 3.02Å
170	F	97.3	Very high	93.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.7	-167.7	-63.5	-46.2	0	0	0	113.2	Y168 H339 A343 S372 L434 P459 V460 C503 V504 S505 A506	Y168-F170 HydrophobicContact CD1-CE1 4.32Å; Y168-F170 AromaticContact CD1-CZ 3.88Å; Y168-F170 HydrophobicContact CD1-CZ 3.88Å; Y168-F170 HydrophobicContact CG-CZ 4.42Å; Y168-F170 PolarHBondContact O-N 3Å; F170-H339 AromaticContact CE2-ND1 3.78Å; F170-H339 AromaticContact CZ-ND1 3.77Å; F170-A343 HydrophobicContact CB-CB 4.49Å; F170-A343 HydrophobicContact CD2-CB 3.91Å; F170-A343 HydrophobicContact CE2-CB 4.45Å; F170-A343 HydrophobicContact CG-CB 4.37Å; F170-S372 WeakPolarHBondContact CD2-OG 3.4Å; F170-L434 HydrophobicContact CB-CD1 4.49Å; F170-L434 HydrophobicContact CB-CD2 3.84Å; F170-P459 HydrophobicContact CD1-CB 3.77Å; F170-P459 HydrophobicContact CD1-CG 3.76Å; F170-P459 HydrophobicContact CD2-CG 4.29Å; F170-P459 HydrophobicContact CE1-CB 3.82Å; F170-P459 HydrophobicContact CE1-CG 3.6Å; F170-P459 HydrophobicContact CE2-CG 4.15Å; F170-P459 HydrophobicContact CG-CB 4.44Å; F170-P459 HydrophobicContact CG-CG 4.11Å; F170-P459 HydrophobicContact CZ-CG 3.81Å; F170-V460 HydrophobicContact CE1-CG2 4.39Å; F170-V460 HydrophobicContact CZ-CG2 3.92Å; F170-C503 HydrophobicContact CE1-CB 4.12Å; F170-V504 WeakPolarHBondContact CD1-O 3.23Å; F170-S505 CarbonylContact O-C 3.49Å; F170-S505 WeakPolarHBondContact O-CA 3.33Å; F170-S505 PolarHBondContact O-OG 2.88Å; F170-A506 PolarHBondContact O-N 3.37Å
171	L	96.8	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.4	176.9	-65.3	172.4	0	0	0	113.4	N169 L173 G342 S372 L418 R430 V431	N169-L171 VanDerWaalsContact C-N 3.33Å; N169-L171 PolarHBondContact O-N 2.73Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 HydrophobicContact CB-CD1 3.97Å; L171-L173 HydrophobicContact CB-CG 3.79Å; L171-L173 HydrophobicContact CD1-CD1 3.99Å; L171-L173 PolarHBondContact O-N 3.43Å; L171-G342 VanDerWaalsContact CD2-O 3.22Å; L171-G342 WeakPolarHBondContact CD2-O 3.45Å; L171-G342 WeakPolarHBondContact CG-O 3.4Å; L171-S372 WeakPolarHBondContact CB-O 3.44Å; L171-L418 HydrophobicContact CD1-CD1 3.82Å; L171-L418 HydrophobicContact CD1-CD2 3.79Å; L171-L418 HydrophobicContact CD1-CG 4.23Å; L171-L418 HydrophobicContact CD2-CD2 4.47Å; L171-R430 HydrophobicContact CD2-CB 4.21Å; L171-R430 PolarHBondContact O-NH1 3.45Å; L171-V431 HydrophobicContact CD2-CG2 3.88Å
172	G	95.1	Very high	93.4	Very high	9 Å²	9	45.3 Å²	45.3	9%	0.093	23%	0.231	C	C	.	.	S	Bend	trans	64.6	34.5	-177.2	0	0	0	0	0	113	N169 R430	N169-G172 PolarHBondContact O-N 3.37Å; N169-G172 VanDerWaalsContact OD1-CA 3.26Å; N169-G172 WeakPolarHBondContact OD1-CA 3.2Å; N169-G172 PolarHBondContact OD1-N 3.24Å; G172-R430 PolarHBondContact O-NH1 3.14Å
173	L	93.4	Very high	93.3	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.136	24%	0.244	C	C	.	.			trans	-92.3	-21.9	-179	-64.9	178.8	0	0	0	112.5	N169 L171 A175	N169-L173 PolarHBondContact OD1-N 2.8Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 HydrophobicContact CB-CD1 3.97Å; L171-L173 HydrophobicContact CB-CG 3.79Å; L171-L173 HydrophobicContact CD1-CD1 3.99Å; L171-L173 PolarHBondContact O-N 3.43Å; L173-A175 PolarHBondContact O-N 3.45Å
174	A	91.1	Very high	93.2	Very high	18 Å²	18	48.2 Å²	48.2	15%	0.149	25%	0.248	C	C	.	.	S	Bend	trans	-74.4	106.2	165	0	0	0	0	0	108.6	P134 N169	P134-A174 HydrophobicContact CG-CB 4.17Å; N169-A174 PolarHBondContact ND2-O 3.44Å; N169-A174 PolarHBondContact OD1-N 2.95Å
175	A	86.1	Confident	93.2	Very high	50 Å²	50	52.8 Å²	52.8	41%	0.413	27%	0.268	S	S	.	.			trans	-147.1	174.3	-174.6	0	0	0	0	0	111.4	L173 M181	L173-A175 PolarHBondContact O-N 3.45Å; A175-M181 HydrophobicContact CB-CE 4.26Å
176	K	88.6	Confident	93.1	Very high	171 Å²	171	55.8 Å²	55.8	74%	0.743	28%	0.284	S	S	*	.			trans	-65.5	147.1	172.2	-174.2	178.9	176.8	-177.3	0	109.6	A133 D178	A133-K176 HydrophobicContact CB-CB 3.93Å; K176-D178 PolarHBondContact O-N 3.18Å
177	Y	89.6	Confident	93.3	Very high	115 Å²	115	55.7 Å²	55.7	45%	0.451	28%	0.28	S	S	.	.			trans	-55.9	137	174	178.9	-88.7	0	0	0	111.7	M181 K185	Y177-M181 HydrophobicContact CD2-CB 3.85Å; Y177-M181 HydrophobicContact CE2-CB 3.88Å; Y177-K185 HydrophobicContact CE2-CB 4.48Å
178	D	90.1	Very high	93.5	Very high	75 Å²	75	57.6 Å²	57.6	40%	0.401	29%	0.287	S	S	.	.			trans	-138.9	174.3	168.7	63.7	39.6	0	0	0	110.2	K176 S180 M181	K176-D178 PolarHBondContact O-N 3.18Å; D178-S180 PolarHBondContact O-N 3.28Å; D178-S180 WeakPolarHBondContact OD1-CA 3.47Å; D178-S180 WeakPolarHBondContact OD1-CB 3.47Å; D178-S180 PolarHBondContact OD1-N 2.81Å; D178-S180 PolarHBondContact OD1-OG 3.42Å; D178-M181 WeakPolarHBondContact O-CB 3.27Å; D178-M181 PolarHBondContact O-N 3.23Å; D178-M181 PolarHBondContact OD1-N 3.34Å
179	E	90.5	Very high	93.5	Very high	119 Å²	119	61.5 Å²	61.5	56%	0.556	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.3	-20.6	-177.7	-169	59.9	-164.9	0	0	112.9	M181 R182	E179-M181 PolarHBondContact O-N 3.1Å; E179-R182 VanDerWaalsContact O-CB 3.3Å; E179-R182 WeakPolarHBondContact O-CB 3.36Å; E179-R182 PolarHBondContact O-N 3.15Å; E179-R182 WeakPolarHBondContact OE1-CD 3.23Å; E179-R182 IonicContact OE1-CZ 3.94Å; E179-R182 IonicContact OE1-NE 3.64Å; E179-R182 IonicContact OE1-NH1 3.97Å; E179-R182 PolarHBondContact OE1-NH1 3.29Å
180	S	85.3	Confident	93.6	Very high	70 Å²	70	66.3 Å²	66.3	49%	0.49	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62.2	-34.3	172.6	86.5	0	0	0	0	110.2	D178 R182 R413	D178-S180 PolarHBondContact O-N 3.28Å; D178-S180 WeakPolarHBondContact OD1-CA 3.47Å; D178-S180 WeakPolarHBondContact OD1-CB 3.47Å; D178-S180 PolarHBondContact OD1-N 2.81Å; D178-S180 PolarHBondContact OD1-OG 3.42Å; S180-R182 PolarHBondContact O-N 3.47Å; S180-R413 PolarHBondContact O-NH1 2.87Å; S180-R413 PolarHBondContact O-NH2 2.86Å
181	M	92.8	Very high	93.5	Very high	34 Å²	34	70.3 Å²	70.3	17%	0.167	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.2	7.7	-179.4	-59.9	-171.6	-168	0	0	114.7	A175 Y177 D178 E179 T183 I184	A175-M181 HydrophobicContact CB-CE 4.26Å; Y177-M181 HydrophobicContact CD2-CB 3.85Å; Y177-M181 HydrophobicContact CE2-CB 3.88Å; D178-M181 WeakPolarHBondContact O-CB 3.27Å; D178-M181 PolarHBondContact O-N 3.23Å; D178-M181 PolarHBondContact OD1-N 3.34Å; E179-M181 PolarHBondContact O-N 3.1Å; M181-T183 PolarHBondContact O-N 3.04Å; M181-T183 VanDerWaalsContact O-N 3.1Å; M181-I184 HydrophobicContact CB-CD1 4.13Å; M181-I184 HydrophobicContact CG-CD1 4.46Å; M181-I184 WeakPolarHBondContact O-CB 3.5Å; M181-I184 PolarHBondContact O-N 3.5Å
182	R	95.3	Very high	93.4	Very high	133 Å²	133	71.7 Å²	71.7	50%	0.502	37%	0.367	S	S	.	.	H	α-helix	trans	-50.3	-38.6	-176.7	-174.7	-171.5	-175.1	142.5	-10.1	114.1	E179 S180 I184 K185 D186	E179-R182 VanDerWaalsContact O-CB 3.3Å; E179-R182 WeakPolarHBondContact O-CB 3.36Å; E179-R182 PolarHBondContact O-N 3.15Å; E179-R182 WeakPolarHBondContact OE1-CD 3.23Å; E179-R182 IonicContact OE1-CZ 3.94Å; E179-R182 IonicContact OE1-NE 3.64Å; E179-R182 IonicContact OE1-NH1 3.97Å; E179-R182 PolarHBondContact OE1-NH1 3.29Å; S180-R182 PolarHBondContact O-N 3.47Å; R182-I184 PolarHBondContact O-N 2.91Å; R182-I184 VanDerWaalsContact O-N 3.14Å; R182-K185 WeakPolarHBondContact O-CA 3.09Å; R182-K185 VanDerWaalsContact O-CB 3.29Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 3.3Å; R182-D186 PolarHBondContact O-N 3.19Å
183	T	95.4	Very high	93.4	Very high	46 Å²	46	76.5 Å²	76.5	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-26.4	-178.3	66	0	0	0	0	113.1	M181 D186 V187 E409 R413	M181-T183 PolarHBondContact O-N 3.04Å; M181-T183 VanDerWaalsContact O-N 3.1Å; T183-D186 PolarHBondContact O-N 3.05Å; T183-V187 WeakPolarHBondContact O-CB 3.15Å; T183-V187 WeakPolarHBondContact O-CG2 3.22Å; T183-V187 PolarHBondContact O-N 2.93Å; T183-E409 VanDerWaalsContact CB-OE1 3.28Å; T183-E409 WeakPolarHBondContact CB-OE1 3.36Å; T183-E409 PolarHBondContact OG1-OE1 2.77Å; T183-R413 VanDerWaalsContact OG1-CD 3.22Å; T183-R413 WeakPolarHBondContact OG1-CD 3.36Å; T183-R413 PolarHBondContact OG1-NH1 2.95Å
184	I	96.3	Very high	93.3	Very high	31 Å²	31	77.2 Å²	77.2	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-66	-42.3	173.1	-58	175.4	0	0	0	110.2	M181 R182 L188 P406 E409 Q410	M181-I184 HydrophobicContact CB-CD1 4.13Å; M181-I184 HydrophobicContact CG-CD1 4.46Å; M181-I184 WeakPolarHBondContact O-CB 3.5Å; M181-I184 PolarHBondContact O-N 3.5Å; R182-I184 PolarHBondContact O-N 2.91Å; R182-I184 VanDerWaalsContact O-N 3.14Å; I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 PolarHBondContact O-N 3.22Å; I184-P406 HydrophobicContact CG2-CB 3.99Å; I184-E409 HydrophobicContact CG1-CG 4.19Å; I184-Q410 HydrophobicContact CD1-CB 3.74Å; I184-Q410 HydrophobicContact CD1-CG 3.85Å; I184-Q410 HydrophobicContact CG1-CB 4.35Å
185	K	96	Very high	93.2	Very high	102 Å²	102	78.2 Å²	78.2	44%	0.443	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-44.6	176.4	-174.6	-173.6	172.6	-166	0	110.7	Y177 R182 V187 L188 E189	Y177-K185 HydrophobicContact CE2-CB 4.48Å; R182-K185 WeakPolarHBondContact O-CA 3.09Å; R182-K185 VanDerWaalsContact O-CB 3.29Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 3.3Å; K185-V187 VanDerWaalsContact C-N 3.34Å; K185-V187 PolarHBondContact O-N 2.91Å; K185-L188 WeakPolarHBondContact O-CB 3.31Å; K185-L188 PolarHBondContact O-N 3.3Å; K185-L188 VanDerWaalsContact O-N 3.15Å; K185-E189 WeakPolarHBondContact CE-OE1 3.22Å; K185-E189 IonicContact NZ-OE1 3.38Å; K185-E189 WeakPolarHBondContact O-CG 3.44Å; K185-E189 PolarHBondContact O-N 2.88Å
186	D	96.8	Very high	93.5	Very high	63 Å²	63	80.7 Å²	80.7	34%	0.337	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-43.9	178.1	-57.9	-24.8	0	0	0	111	R182 T183 L188 E189 V190	R182-D186 PolarHBondContact O-N 3.19Å; T183-D186 PolarHBondContact O-N 3.05Å; D186-L188 VanDerWaalsContact C-N 3.33Å; D186-L188 PolarHBondContact O-N 2.87Å; D186-E189 PolarHBondContact O-N 3.46Å; D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 2.7Å
187	V	97.5	Very high	93.7	Very high	12 Å²	12	73.5 Å²	73.5	7%	0.073	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-37.5	175.3	165.9	0	0	0	0	111.9	T183 K185 V190 Y191 K207 P405 E409	T183-V187 WeakPolarHBondContact O-CB 3.15Å; T183-V187 WeakPolarHBondContact O-CG2 3.22Å; T183-V187 PolarHBondContact O-N 2.93Å; K185-V187 VanDerWaalsContact C-N 3.34Å; K185-V187 PolarHBondContact O-N 2.91Å; V187-V190 PolarHBondContact O-N 2.87Å; V187-Y191 HydrophobicContact CG1-CD2 4.01Å; V187-Y191 WeakPolarHBondContact O-CB 3.44Å; V187-Y191 PolarHBondContact O-N 3.49Å; V187-K207 HydrophobicContact CG2-CD 4.44Å; V187-P405 HydrophobicContact CG1-CB 3.84Å; V187-E409 HydrophobicContact CB-CB 4.15Å; V187-E409 HydrophobicContact CB-CG 4.24Å; V187-E409 HydrophobicContact CG1-CB 4.15Å; V187-E409 HydrophobicContact CG2-CB 3.96Å; V187-E409 HydrophobicContact CG2-CG 3.76Å
188	L	97.1	Very high	93.9	Very high	72 Å²	72	69 Å²	69	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174.1	174.2	67.1	0	0	0	111.8	I184 K185 D186 V190 G192 T193 P406	I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 PolarHBondContact O-N 3.22Å; K185-L188 WeakPolarHBondContact O-CB 3.31Å; K185-L188 PolarHBondContact O-N 3.3Å; K185-L188 VanDerWaalsContact O-N 3.15Å; D186-L188 VanDerWaalsContact C-N 3.33Å; D186-L188 PolarHBondContact O-N 2.87Å; L188-V190 VanDerWaalsContact C-N 3.32Å; L188-V190 PolarHBondContact O-N 3.43Å; L188-G192 WeakPolarHBondContact O-CA 3.32Å; L188-G192 PolarHBondContact O-N 3.33Å; L188-T193 HydrophobicContact CD1-CG2 3.54Å; L188-P406 HydrophobicContact CB-CG 3.81Å; L188-P406 HydrophobicContact CD1-CG 3.83Å; L188-P406 HydrophobicContact CG-CG 4.43Å
189	E	97.1	Very high	93.9	Very high	136 Å²	136	67 Å²	67	64%	0.636	38%	0.376	S	S	*	.	H	α-helix	trans	-67	-33.3	179.4	-71.9	179	179.8	0	0	112.2	K185 D186	K185-E189 WeakPolarHBondContact CE-OE1 3.22Å; K185-E189 IonicContact NZ-OE1 3.38Å; K185-E189 WeakPolarHBondContact O-CG 3.44Å; K185-E189 PolarHBondContact O-N 2.88Å; D186-E189 PolarHBondContact O-N 3.46Å
190	V	96.9	Very high	93.9	Very high	111 Å²	111	68.4 Å²	68.4	67%	0.673	38%	0.376	S	S	*	.	H	α-helix	trans	-82.8	-48.5	-179.9	174.6	0	0	0	0	112.9	D186 V187 L188	D186-V190 WeakPolarHBondContact O-CG2 3.38Å; D186-V190 PolarHBondContact O-N 2.7Å; V187-V190 PolarHBondContact O-N 2.87Å; L188-V190 VanDerWaalsContact C-N 3.32Å; L188-V190 PolarHBondContact O-N 3.43Å
191	Y	95.8	Very high	94.1	Very high	83 Å²	83	72 Å²	72	33%	0.325	39%	0.385	S	S	.	.	H	α-helix	trans	-102.2	-13.2	-170.9	-70.6	-81	0	0	0	114.1	V187 L205 D206 K207 P405	V187-Y191 HydrophobicContact CG1-CD2 4.01Å; V187-Y191 WeakPolarHBondContact O-CB 3.44Å; V187-Y191 PolarHBondContact O-N 3.49Å; Y191-L205 HydrophobicContact CD1-CD1 3.71Å; Y191-L205 HydrophobicContact CD1-CD2 4.11Å; Y191-L205 HydrophobicContact CD1-CG 4.43Å; Y191-L205 HydrophobicContact CE1-CD1 4.29Å; Y191-L205 HydrophobicContact CE1-CD2 4.21Å; Y191-L205 HydrophobicContact CG-CD1 4.26Å; Y191-D206 VanDerWaalsContact CZ-OD1 3.25Å; Y191-D206 PolarHBondContact OH-OD1 3.31Å; Y191-D206 PolarHBondContact OH-OD2 2.91Å; Y191-K207 HydrophobicContact CE2-CG 4.32Å; Y191-P405 HydrophobicContact CG-CB 4.26Å; Y191-P405 HydrophobicContact CG-CG 4.5Å
192	G	95.6	Very high	94	Very high	30 Å²	30	78.1 Å²	78.1	31%	0.309	42%	0.416	S	S	.	.			trans	75	-168.2	-170.6	0	0	0	0	0	113.4	L188 P406	L188-G192 WeakPolarHBondContact O-CA 3.32Å; L188-G192 PolarHBondContact O-N 3.33Å; G192-P406 WeakPolarHBondContact O-CD 3.25Å
193	T	94.3	Very high	93.9	Very high	109 Å²	109	71.8 Å²	71.8	67%	0.669	39%	0.392	S	S	*	.	S	Bend	trans	-83.7	-20.1	-173.2	54.2	0	0	0	0	113.9	L188 S404	L188-T193 HydrophobicContact CD1-CG2 3.54Å; T193-S404 VanDerWaalsContact O-CB 3.3Å; T193-S404 WeakPolarHBondContact O-CB 3.41Å; T193-S404 PolarHBondContact O-OG 2.94Å
194	G	90.9	Very high	93.9	Very high	42 Å²	42	72 Å²	72	43%	0.433	39%	0.393	S	S	.	.			trans	-172.3	162.6	-176.7	0	0	0	0	0	112.8
195	V	89.9	Confident	93.9	Very high	39 Å²	39	72.2 Å²	72.2	24%	0.236	39%	0.394	C	S	.	.			trans	-92.9	-18.3	-174.6	-162.7	0	0	0	0	112.7	S197 L205 S402	V195-S197 PolarHBondContact O-N 2.87Å; V195-S197 VanDerWaalsContact O-N 3.13Å; V195-L205 HydrophobicContact CG2-CD1 3.66Å; V195-L205 HydrophobicContact CG2-CG 3.92Å; V195-S402 VanDerWaalsContact CB-OG 3.3Å; V195-S402 WeakPolarHBondContact CB-OG 3.35Å; V195-S402 WeakPolarHBondContact CG2-OG 3.32Å
196	A	91.3	Very high	93.9	Very high	102 Å²	102	71.4 Å²	71.4	84%	0.843	40%	0.395	S	S	*	.			trans	52.7	29.3	-176.8	0	0	0	0	0	114.8
197	S	93.5	Very high	93.9	Very high	20 Å²	20	69.8 Å²	69.8	14%	0.14	39%	0.385	C	S	.	.	S	Bend	trans	-144.2	162.6	176.7	-174.9	0	0	0	0	110.4	V195 M202 G203 S402	V195-S197 PolarHBondContact O-N 2.87Å; V195-S197 VanDerWaalsContact O-N 3.13Å; S197-M202 PolarHBondContact OG-N 3.19Å; S197-M202 VanDerWaalsContact OG-N 3.16Å; S197-G203 PolarHBondContact OG-N 3.1Å; S197-S402 PolarHBondContact O-N 3.3Å
198	T	93.3	Very high	93.9	Very high	21 Å²	21	69.2 Å²	69.2	13%	0.129	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-84.3	160.2	178	73.2	0	0	0	0	110.5	R200 E201 G203 V398 A400	T198-R200 PolarHBondContact O-N 3.02Å; T198-E201 PolarHBondContact O-N 3.05Å; T198-G203 WeakPolarHBondContact O-CA 3.3Å; T198-G203 PolarHBondContact O-N 2.85Å; T198-V398 WeakPolarHBondContact CG2-O 3.25Å; T198-V398 PolarHBondContact OG1-O 3.31Å; T198-A400 WeakPolarHBondContact CA-O 3.11Å; T198-A400 WeakPolarHBondContact CB-O 3.33Å
199	R	90.9	Very high	94	Very high	31 Å²	31	71.6 Å²	71.6	12%	0.117	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.1	179.9	-71.9	-65.7	-57.7	-77.2	0.8	113.2	T204 E212	R199-T204 PolarHBondContact NE-OG1 2.86Å; R199-T204 PolarHBondContact O-OG1 2.69Å; R199-E212 IonicContact CZ-OE1 2.62Å; R199-E212 VanDerWaalsContact CZ-OE1 3.26Å; R199-E212 IonicContact NH1-OE1 3.31Å; R199-E212 PolarHBondContact NH1-OE1 3Å; R199-E212 IonicContact NH2-OE1 2.8Å; R199-E212 PolarHBondContact NH2-OE1 2.76Å; R199-E212 IonicContact NH2-OE2 3.5Å; R199-E212 PolarHBondContact NH2-OE2 3.46Å
200	R	89.7	Confident	94	Very high	150 Å²	150	67.6 Å²	67.6	57%	0.566	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.3	179.5	-174.8	168.3	179.2	179.5	2.4	113.7	T198 A397	T198-R200 PolarHBondContact O-N 3.02Å; R200-A397 PolarHBondContact N-O 3.42Å
201	E	90.3	Very high	94.1	Very high	144 Å²	144	62.3 Å²	62.3	67%	0.673	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-113.4	178.7	-64.1	-177.4	169.8	0	0	110.2	T198	T198-E201 PolarHBondContact O-N 3.05Å
202	M	91.1	Very high	94.2	Very high	164 Å²	164	58.5 Å²	58.5	81%	0.808	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	8.4	-175.9	-60.8	-62.6	-175	0	0	112.7	S197 T204	S197-M202 PolarHBondContact OG-N 3.19Å; S197-M202 VanDerWaalsContact OG-N 3.16Å; M202-T204 VanDerWaalsContact C-N 3.3Å; M202-T204 PolarHBondContact O-N 3.2Å
203	G	92.9	Very high	94.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.337	C	S	.	.			trans	-79.5	5	-173.8	0	0	0	0	0	116.3	S197 T198 H208 S402	S197-G203 PolarHBondContact OG-N 3.1Å; T198-G203 WeakPolarHBondContact O-CA 3.3Å; T198-G203 PolarHBondContact O-N 2.85Å; G203-H208 PolarHBondContact O-CE1 2.53Å; G203-H208 VanDerWaalsContact O-CE1 3.23Å; G203-H208 PolarHBondContact O-ND1 3.25Å; G203-S402 WeakPolarHBondContact O-CB 3.37Å; G203-S402 PolarHBondContact O-OG 3.23Å
204	T	95	Very high	94.6	Very high	51 Å²	51	57.9 Å²	57.9	31%	0.313	31%	0.309	S	S	.	.			trans	-102.1	99.4	-174.4	-61.8	0	0	0	0	112.5	R199 M202 K209	R199-T204 PolarHBondContact NE-OG1 2.86Å; R199-T204 PolarHBondContact O-OG1 2.69Å; M202-T204 VanDerWaalsContact C-N 3.3Å; M202-T204 PolarHBondContact O-N 3.2Å; T204-K209 HydrophobicContact CG2-CG 4.33Å
205	L	96.1	Very high	95	Very high	35 Å²	35	56 Å²	56	18%	0.183	29%	0.289	C	S	.	.			trans	-81	163.9	168	-56	179.5	0	0	0	113.7	Y191 V195 K207 H208 K209 P405	Y191-L205 HydrophobicContact CD1-CD1 3.71Å; Y191-L205 HydrophobicContact CD1-CD2 4.11Å; Y191-L205 HydrophobicContact CD1-CG 4.43Å; Y191-L205 HydrophobicContact CE1-CD1 4.29Å; Y191-L205 HydrophobicContact CE1-CD2 4.21Å; Y191-L205 HydrophobicContact CG-CD1 4.26Å; V195-L205 HydrophobicContact CG2-CD1 3.66Å; V195-L205 HydrophobicContact CG2-CG 3.92Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 2.89Å; L205-H208 PolarHBondContact N-ND1 3.03Å; L205-H208 VanDerWaalsContact N-ND1 3.13Å; L205-H208 WeakPolarHBondContact O-CB 3.01Å; L205-H208 PolarHBondContact O-N 3.23Å; L205-K209 PolarHBondContact O-N 3.26Å; L205-P405 HydrophobicContact CD1-CB 3.82Å; L205-P405 HydrophobicContact CD1-CG 3.62Å
206	D	96.6	Very high	95.4	Very high	84 Å²	84	54.5 Å²	54.5	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-54.6	-41.2	168.3	62.6	-25.8	0	0	0	112.2	Y191 H208 K209 E210	Y191-D206 VanDerWaalsContact CZ-OD1 3.25Å; Y191-D206 PolarHBondContact OH-OD1 3.31Å; Y191-D206 PolarHBondContact OH-OD2 2.91Å; D206-H208 VanDerWaalsContact C-N 3.27Å; D206-H208 PolarHBondContact O-N 3.23Å; D206-K209 WeakPolarHBondContact O-CA 3.49Å; D206-K209 WeakPolarHBondContact O-CB 3.41Å; D206-K209 PolarHBondContact O-N 3.23Å; D206-E210 PolarHBondContact O-N 3.22Å
207	K	97.1	Very high	95.7	Very high	30 Å²	30	55.6 Å²	55.6	13%	0.13	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-31.4	177.8	-69.8	-71	165.1	-173.7	0	113.5	V187 Y191 L205 E210 L211 A408 E409 I412	V187-K207 HydrophobicContact CG2-CD 4.44Å; Y191-K207 HydrophobicContact CE2-CG 4.32Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 2.89Å; K207-E210 IonicContact NZ-OE2 3.26Å; K207-E210 PolarHBondContact NZ-OE2 2.96Å; K207-L211 VanDerWaalsContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CB 3.17Å; K207-L211 PolarHBondContact O-N 3.38Å; K207-A408 HydrophobicContact CB-CB 4.43Å; K207-E409 WeakPolarHBondContact CE-OE2 3.49Å; K207-E409 IonicContact NZ-OE2 2.71Å; K207-E409 PolarHBondContact NZ-OE2 3.36Å; K207-I412 HydrophobicContact CD-CD1 3.97Å
208	H	97.4	Very high	95.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-38.4	173	-60.2	131.7	0	0	0	111.9	G203 L205 D206 E212 M403	G203-H208 PolarHBondContact O-CE1 2.53Å; G203-H208 VanDerWaalsContact O-CE1 3.23Å; G203-H208 PolarHBondContact O-ND1 3.25Å; L205-H208 PolarHBondContact N-ND1 3.03Å; L205-H208 VanDerWaalsContact N-ND1 3.13Å; L205-H208 WeakPolarHBondContact O-CB 3.01Å; L205-H208 PolarHBondContact O-N 3.23Å; D206-H208 VanDerWaalsContact C-N 3.27Å; D206-H208 PolarHBondContact O-N 3.23Å; H208-E212 WeakPolarHBondContact O-CB 3.36Å; H208-E212 VanDerWaalsContact O-CG 3.28Å; H208-E212 WeakPolarHBondContact O-CG 3.45Å; H208-E212 PolarHBondContact O-N 3.31Å; H208-M403 PolarHBondContact NE2-O 3.33Å
209	K	97.8	Very high	96.2	Very high	121 Å²	121	54.2 Å²	54.2	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-46.3	178	-62.1	-178.8	-178.2	176	0	110.9	T204 L205 D206 L211 E212 D213	T204-K209 HydrophobicContact CG2-CG 4.33Å; L205-K209 PolarHBondContact O-N 3.26Å; D206-K209 WeakPolarHBondContact O-CA 3.49Å; D206-K209 WeakPolarHBondContact O-CB 3.41Å; D206-K209 PolarHBondContact O-N 3.23Å; K209-L211 VanDerWaalsContact C-N 3.27Å; K209-L211 PolarHBondContact O-N 2.73Å; K209-E212 PolarHBondContact O-N 3Å; K209-E212 VanDerWaalsContact O-N 3.16Å; K209-D213 WeakPolarHBondContact O-CB 3.26Å; K209-D213 VanDerWaalsContact O-CG 3.27Å; K209-D213 PolarHBondContact O-N 3Å
210	E	98.3	Very high	96.5	Very high	53 Å²	53	57.4 Å²	57.4	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-54.4	-45.7	174.1	-177.7	-177.3	-179.7	0	0	111	D206 K207 L214 I412 K416	D206-E210 PolarHBondContact O-N 3.22Å; K207-E210 IonicContact NZ-OE2 3.26Å; K207-E210 PolarHBondContact NZ-OE2 2.96Å; E210-L214 HydrophobicContact CG-CD1 4.02Å; E210-L214 WeakPolarHBondContact O-CB 3.24Å; E210-L214 WeakPolarHBondContact O-CG 3.23Å; E210-L214 PolarHBondContact O-N 3.2Å; E210-I412 HydrophobicContact CB-CD1 4.1Å; E210-I412 HydrophobicContact CG-CD1 3.96Å; E210-I412 HydrophobicContact CG-CG1 4.38Å; E210-I412 WeakPolarHBondContact OE1-CG2 3.4Å; E210-K416 IonicContact OE1-NZ 2.87Å; E210-K416 PolarHBondContact OE1-NZ 3.21Å
211	L	98.6	Very high	96.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-46.3	177.4	176.7	58	0	0	0	112.3	K207 K209 D213 L214 V215 V226 M403 A408 I411 I412 L415	K207-L211 VanDerWaalsContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CB 3.17Å; K207-L211 PolarHBondContact O-N 3.38Å; K209-L211 VanDerWaalsContact C-N 3.27Å; K209-L211 PolarHBondContact O-N 2.73Å; L211-D213 VanDerWaalsContact C-N 3.34Å; L211-D213 PolarHBondContact O-N 3.31Å; L211-L214 PolarHBondContact O-N 3.01Å; L211-V215 HydrophobicContact CD1-CG2 3.94Å; L211-V215 HydrophobicContact CG-CG2 4.41Å; L211-V215 VanDerWaalsContact O-CG2 3.23Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.11Å; L211-V226 HydrophobicContact CD2-CB 4.36Å; L211-V226 HydrophobicContact CD2-CG1 3.9Å; L211-V226 HydrophobicContact CD2-CG2 4.24Å; L211-V226 HydrophobicContact CG-CG1 3.9Å; L211-M403 HydrophobicContact CD2-SD 3.73Å; L211-A408 HydrophobicContact CD2-CB 4.06Å; L211-I411 HydrophobicContact CD1-CB 3.85Å; L211-I411 HydrophobicContact CD1-CG2 3.41Å; L211-I411 VanDerWaalsContact CD1-CG2 3.41Å; L211-I411 HydrophobicContact CD2-CB 4.35Å; L211-I411 HydrophobicContact CD2-CD1 4.08Å; L211-I411 HydrophobicContact CD2-CG2 4.45Å; L211-I412 HydrophobicContact CB-CD1 4.1Å; L211-I412 HydrophobicContact CB-CG1 3.88Å; L211-I412 HydrophobicContact CD1-CG1 4.09Å; L211-L415 HydrophobicContact CD1-CD1 3.7Å
212	E	98.6	Very high	97.3	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-44.5	177.6	-77.3	174.6	-180	0	0	111.8	R199 H208 K209 V215 A216 A224 V226 R391	R199-E212 IonicContact CZ-OE1 2.62Å; R199-E212 VanDerWaalsContact CZ-OE1 3.26Å; R199-E212 IonicContact NH1-OE1 3.31Å; R199-E212 PolarHBondContact NH1-OE1 3Å; R199-E212 IonicContact NH2-OE1 2.8Å; R199-E212 PolarHBondContact NH2-OE1 2.76Å; R199-E212 IonicContact NH2-OE2 3.5Å; R199-E212 PolarHBondContact NH2-OE2 3.46Å; H208-E212 WeakPolarHBondContact O-CB 3.36Å; H208-E212 VanDerWaalsContact O-CG 3.28Å; H208-E212 WeakPolarHBondContact O-CG 3.45Å; H208-E212 PolarHBondContact O-N 3.31Å; K209-E212 PolarHBondContact O-N 3Å; K209-E212 VanDerWaalsContact O-N 3.16Å; E212-V215 PolarHBondContact O-N 2.94Å; E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 2.81Å; E212-A224 WeakPolarHBondContact CB-O 3.17Å; E212-A224 WeakPolarHBondContact CG-O 3.5Å; E212-V226 HydrophobicContact CG-CB 4.47Å; E212-V226 HydrophobicContact CG-CG1 4.01Å; E212-V226 HydrophobicContact CG-CG2 4.05Å; E212-V226 PolarHBondContact OE1-N 3.39Å; E212-R391 IonicContact OE2-CZ 2.74Å; E212-R391 IonicContact OE2-NE 2.91Å; E212-R391 IonicContact OE2-NH2 2.66Å; E212-R391 PolarHBondContact OE2-NH2 3.19Å
213	D	98.7	Very high	97.6	Very high	112 Å²	112	42.4 Å²	42.4	60%	0.599	21%	0.213	S	C	*	.	H	α-helix	trans	-65.3	-40.6	178.2	-66.3	-22.7	0	0	0	111.5	K209 L211 A216 K217	K209-D213 WeakPolarHBondContact O-CB 3.26Å; K209-D213 VanDerWaalsContact O-CG 3.27Å; K209-D213 PolarHBondContact O-N 3Å; L211-D213 VanDerWaalsContact C-N 3.34Å; L211-D213 PolarHBondContact O-N 3.31Å; D213-A216 PolarHBondContact O-N 2.74Å; D213-K217 WeakPolarHBondContact O-CB 3.34Å; D213-K217 PolarHBondContact O-N 3.37Å
214	L	98.5	Very high	97.9	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-38.7	176	-78	170	0	0	0	112.7	E210 L211 K217 F218 I412 L415 K416 M421	E210-L214 HydrophobicContact CG-CD1 4.02Å; E210-L214 WeakPolarHBondContact O-CB 3.24Å; E210-L214 WeakPolarHBondContact O-CG 3.23Å; E210-L214 PolarHBondContact O-N 3.2Å; L211-L214 PolarHBondContact O-N 3.01Å; L214-K217 PolarHBondContact O-N 3.25Å; L214-F218 VanDerWaalsContact O-CB 3.28Å; L214-F218 WeakPolarHBondContact O-CB 3.35Å; L214-F218 PolarHBondContact O-N 3.47Å; L214-I412 HydrophobicContact CD1-CB 4.19Å; L214-I412 HydrophobicContact CD1-CG1 4.06Å; L214-I412 HydrophobicContact CD1-CG2 3.69Å; L214-L415 HydrophobicContact CB-CD1 4.09Å; L214-K416 HydrophobicContact CD1-CG 4.33Å; L214-M421 HydrophobicContact CD2-CE 4.32Å; L214-M421 HydrophobicContact CD2-SD 4.04Å
215	V	98.7	Very high	98	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-45.8	175.5	172	0	0	0	0	110.5	L211 E212 K217 F218 L219 A224 F369 Y379 L415	L211-V215 HydrophobicContact CD1-CG2 3.94Å; L211-V215 HydrophobicContact CG-CG2 4.41Å; L211-V215 VanDerWaalsContact O-CG2 3.23Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.11Å; E212-V215 PolarHBondContact O-N 2.94Å; V215-K217 VanDerWaalsContact C-N 3.33Å; V215-K217 PolarHBondContact O-N 2.91Å; V215-F218 PolarHBondContact O-N 3.07Å; V215-L219 HydrophobicContact CG1-CD1 3.85Å; V215-L219 WeakPolarHBondContact O-CG 3.32Å; V215-L219 PolarHBondContact O-N 3Å; V215-A224 HydrophobicContact CB-CB 3.88Å; V215-A224 HydrophobicContact CG1-CB 3.6Å; V215-F369 HydrophobicContact CG2-CE1 4.13Å; V215-F369 HydrophobicContact CG2-CZ 3.78Å; V215-Y379 HydrophobicContact CG1-CD1 4.22Å; V215-Y379 HydrophobicContact CG1-CD2 3.84Å; V215-Y379 HydrophobicContact CG1-CE2 4.25Å; V215-Y379 HydrophobicContact CG1-CG 3.83Å; V215-L415 HydrophobicContact CG2-CD1 3.73Å
216	A	98.6	Very high	98	Very high	8 Å²	8	38.7 Å²	38.7	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-45.4	176.2	0	0	0	0	0	111.5	E212 D213 L219 N220 V221 A224	E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 2.81Å; D213-A216 PolarHBondContact O-N 2.74Å; A216-L219 PolarHBondContact O-N 2.82Å; A216-N220 PolarHBondContact O-N 2.94Å; A216-V221 PolarHBondContact O-N 3.03Å; A216-A224 HydrophobicContact CB-CB 4.25Å
217	K	98.4	Very high	97.9	Very high	125 Å²	125	35.1 Å²	35.1	54%	0.543	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-40.5	175.7	-170.6	-178.4	173.4	-174.7	0	112.6	D213 L214 V215 N220 M419	D213-K217 WeakPolarHBondContact O-CB 3.34Å; D213-K217 PolarHBondContact O-N 3.37Å; L214-K217 PolarHBondContact O-N 3.25Å; V215-K217 VanDerWaalsContact C-N 3.33Å; V215-K217 PolarHBondContact O-N 2.91Å; K217-N220 PolarHBondContact O-N 3.19Å; K217-M419 HydrophobicContact CB-CE 4.28Å; K217-M419 HydrophobicContact CD-CE 3.69Å; K217-M419 HydrophobicContact CG-CE 3.69Å
218	F	98.2	Very high	97.7	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-43.3	178.9	-179.3	-113.2	0	0	0	111.4	L214 V215 N220 I341 G348 R349 F373 L415 L418 M419	L214-F218 VanDerWaalsContact O-CB 3.28Å; L214-F218 WeakPolarHBondContact O-CB 3.35Å; L214-F218 PolarHBondContact O-N 3.47Å; V215-F218 PolarHBondContact O-N 3.07Å; F218-N220 VanDerWaalsContact C-N 3.32Å; F218-I341 HydrophobicContact CD1-CD1 4.23Å; F218-I341 HydrophobicContact CE1-CD1 3.62Å; F218-I341 HydrophobicContact CE1-CG1 4.2Å; F218-G348 WeakPolarHBondContact CZ-O 3.4Å; F218-R349 HydrophobicContact CD2-CG 4.45Å; F218-R349 HydrophobicContact CE1-CG 4.11Å; F218-R349 HydrophobicContact CE2-CG 4.01Å; F218-R349 HydrophobicContact CZ-CG 3.83Å; F218-R349 VanDerWaalsContact O-CD 3.3Å; F218-R349 WeakPolarHBondContact O-CD 3.5Å; F218-R349 WeakPolarHBondContact O-CG 3.47Å; F218-R349 PolarHBondContact O-NE 2.88Å; F218-F373 HydrophobicContact CE1-CZ 4.36Å; F218-L415 HydrophobicContact CB-CD2 3.95Å; F218-L415 HydrophobicContact CD1-CD2 3.84Å; F218-L415 HydrophobicContact CD2-CD2 4.29Å; F218-L415 HydrophobicContact CE1-CD2 4.43Å; F218-L415 HydrophobicContact CG-CD2 3.76Å; F218-L418 HydrophobicContact CE2-CB 4.13Å; F218-L418 HydrophobicContact CE2-CD1 4.42Å; F218-L418 HydrophobicContact CZ-CD1 4.17Å; F218-M419 HydrophobicContact CB-SD 3.97Å; F218-M419 HydrophobicContact CD2-CG 3.65Å; F218-M419 HydrophobicContact CD2-SD 4Å; F218-M419 HydrophobicContact CE2-CG 4.31Å; F218-M419 HydrophobicContact CG-SD 4.47Å
219	L	98	Very high	97.4	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-83	-7.4	-179.5	-66.4	170.8	0	0	0	113.9	V215 A216 V221 I341 P359 Y379 A381	V215-L219 HydrophobicContact CG1-CD1 3.85Å; V215-L219 WeakPolarHBondContact O-CG 3.32Å; V215-L219 PolarHBondContact O-N 3Å; A216-L219 PolarHBondContact O-N 2.82Å; L219-V221 HydrophobicContact CB-CG1 4.41Å; L219-V221 HydrophobicContact CB-CG2 3.99Å; L219-I341 HydrophobicContact CD2-CD1 3.61Å; L219-P359 WeakPolarHBondContact O-CG 2.96Å; L219-Y379 HydrophobicContact CD1-CD2 4.09Å; L219-Y379 HydrophobicContact CD1-CE2 3.35Å; L219-A381 HydrophobicContact CD1-CB 3.54Å
220	N	97.4	Very high	97	Very high	98 Å²	98	35.6 Å²	35.6	52%	0.524	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	52.1	-173.5	-170.5	50.3	0	0	0	112.6	A216 K217 F218 P359 H360	A216-N220 PolarHBondContact O-N 2.94Å; K217-N220 PolarHBondContact O-N 3.19Å; F218-N220 VanDerWaalsContact C-N 3.32Å; N220-P359 HydrophobicContact CB-CG 4.32Å; N220-P359 WeakPolarHBondContact O-CG 3.15Å; N220-H360 PolarHBondContact O-CE1 2.98Å
221	V	98.3	Very high	96.8	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	20%	0.195	C	C	.	.	S	Bend	trans	-131.2	167.4	177	-61.9	0	0	0	0	111.5	A216 L219 P359 L365 A381	A216-V221 PolarHBondContact O-N 3.03Å; L219-V221 HydrophobicContact CB-CG1 4.41Å; L219-V221 HydrophobicContact CB-CG2 3.99Å; V221-P359 HydrophobicContact CG1-CB 3.88Å; V221-P359 HydrophobicContact CG1-CG 4.23Å; V221-L365 HydrophobicContact CG1-CD1 3.88Å; V221-A381 HydrophobicContact CG2-CB 3.8Å
222	E	98.4	Very high	96.6	Very high	112 Å²	112	37.6 Å²	37.6	52%	0.523	20%	0.202	S	C	.	.	S	Bend	trans	-66.8	-38.5	-172.3	-60.5	177.5	-169.3	0	0	114.2	G382 K384	E222-G382 PolarHBondContact N-O 2.93Å; E222-K384 HydrophobicContact CB-CB 4.14Å; E222-K384 WeakPolarHBondContact OE2-CB 3.45Å; E222-K384 PolarHBondContact OE2-N 3.24Å
223	A	98.6	Very high	96.4	Very high	14 Å²	14	37.5 Å²	37.5	12%	0.116	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	159.6	-177.4	0	0	0	0	0	112.5	A381 G382 K384 V387	A223-A381 VanDerWaalsContact O-CA 3.31Å; A223-A381 WeakPolarHBondContact O-CA 3.18Å; A223-G382 PolarHBondContact N-O 3.45Å; A223-G382 VanDerWaalsContact N-O 3.12Å; A223-G382 PolarHBondContact O-N 3.32Å; A223-K384 HydrophobicContact CB-CB 4.31Å; A223-K384 HydrophobicContact CB-CG 4.33Å; A223-V387 HydrophobicContact CB-CB 3.84Å; A223-V387 HydrophobicContact CB-CG1 4.02Å; A223-V387 HydrophobicContact CB-CG2 3.84Å
224	A	98.5	Very high	96.4	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.3	169.9	0	0	0	0	0	111.6	E212 V215 A216 I380 A381	E212-A224 WeakPolarHBondContact CB-O 3.17Å; E212-A224 WeakPolarHBondContact CG-O 3.5Å; V215-A224 HydrophobicContact CB-CB 3.88Å; V215-A224 HydrophobicContact CG1-CB 3.6Å; A216-A224 HydrophobicContact CB-CB 4.25Å; A224-I380 CarbonylContact C-O 3.46Å; A224-I380 WeakPolarHBondContact CA-O 3.46Å; A224-A381 HydrophobicContact CB-CB 3.72Å
225	M	96.3	Very high	96.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.8	170.4	178.2	173.8	-165.3	0	0	109.7	F227 Y379 I380 V387 R391 A397	M225-F227 HydrophobicContact CB-CZ 4.35Å; M225-F227 HydrophobicContact CE-CE1 4.07Å; M225-F227 HydrophobicContact CG-CE1 4.12Å; M225-F227 HydrophobicContact CG-CE2 4.34Å; M225-F227 HydrophobicContact CG-CZ 3.86Å; M225-F227 WeakPolarHBondContact O-CE2 3.37Å; M225-F227 HydrophobicContact SD-CE1 3.88Å; M225-F227 HydrophobicContact SD-CZ 3.85Å; M225-Y379 CarbonylContact O-C 3.04Å; M225-Y379 WeakPolarHBondContact O-CA 3.2Å; M225-Y379 WeakPolarHBondContact O-CB 3.38Å; M225-I380 PolarHBondContact N-O 3Å; M225-I380 PolarHBondContact O-N 3.26Å; M225-V387 HydrophobicContact CB-CG1 3.92Å; M225-R391 HydrophobicContact CE-CG 4.04Å; M225-R391 HydrophobicContact CG-CG 4.47Å; M225-R391 HydrophobicContact SD-CB 4.31Å; M225-R391 HydrophobicContact SD-CG 3.56Å; M225-R391 VanDerWaalsContact SD-CG 3.56Å; M225-A397 HydrophobicContact CE-CB 3.56Å
226	V	96.9	Very high	96	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.3	-179.8	-60.1	0	0	0	0	113.3	L211 E212 F369 G378 M403	L211-V226 HydrophobicContact CD2-CB 4.36Å; L211-V226 HydrophobicContact CD2-CG1 3.9Å; L211-V226 HydrophobicContact CD2-CG2 4.24Å; L211-V226 HydrophobicContact CG-CG1 3.9Å; E212-V226 HydrophobicContact CG-CB 4.47Å; E212-V226 HydrophobicContact CG-CG1 4.01Å; E212-V226 HydrophobicContact CG-CG2 4.05Å; E212-V226 PolarHBondContact OE1-N 3.39Å; V226-F369 HydrophobicContact CB-CE2 4.42Å; V226-F369 HydrophobicContact CG1-CE2 3.97Å; V226-F369 HydrophobicContact CG1-CZ 4.15Å; V226-G378 CarbonylContact C-O 3.37Å; V226-G378 WeakPolarHBondContact CA-O 3.44Å; V226-M403 HydrophobicContact CB-CE 4.21Å
227	F	95.1	Very high	95.9	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.2	-177.4	-53	-80.6	0	0	0	110.8	M225 M229 T233 N237 G377 G378 I380 S396 M403	M225-F227 HydrophobicContact CB-CZ 4.35Å; M225-F227 HydrophobicContact CE-CE1 4.07Å; M225-F227 HydrophobicContact CG-CE1 4.12Å; M225-F227 HydrophobicContact CG-CE2 4.34Å; M225-F227 HydrophobicContact CG-CZ 3.86Å; M225-F227 WeakPolarHBondContact O-CE2 3.37Å; M225-F227 HydrophobicContact SD-CE1 3.88Å; M225-F227 HydrophobicContact SD-CZ 3.85Å; F227-M229 VanDerWaalsContact C-N 3.28Å; F227-M229 PolarHBondContact O-N 2.73Å; F227-T233 HydrophobicContact CD2-CG2 3.58Å; F227-T233 HydrophobicContact CE2-CG2 3.97Å; F227-T233 HydrophobicContact CG-CG2 4.46Å; F227-N237 WeakPolarHBondContact CZ-ND2 3.44Å; F227-N237 WeakPolarHBondContact CZ-OD1 3.4Å; F227-G377 CarbonylContact O-C 3.55Å; F227-G377 WeakPolarHBondContact O-CA 3.44Å; F227-G378 PolarHBondContact N-O 2.92Å; F227-G378 PolarHBondContact O-N 2.93Å; F227-I380 HydrophobicContact CE2-CB 4.01Å; F227-I380 HydrophobicContact CE2-CD1 3.97Å; F227-I380 HydrophobicContact CE2-CG1 3.87Å; F227-I380 HydrophobicContact CZ-CD1 4.25Å; F227-S396 VanDerWaalsContact CD1-CB 3.49Å; F227-M403 WeakPolarHBondContact O-CE 3.48Å
228	G	91.6	Very high	95.9	Very high	36 Å²	36	28.4 Å²	28.4	37%	0.371	16%	0.157	S	C	.	.	S	Bend	trans	-69.4	-16.7	-176.4	0	0	0	0	0	115.5	G377	G228-G377 WeakPolarHBondContact O-CA 3.46Å
229	M	91.2	Very high	95.8	Very high	115 Å²	115	29.5 Å²	29.5	57%	0.567	17%	0.165	S	C	*	.			trans	-134.9	129.9	-179	-172	-171.1	-161.3	0	0	112.2	F227 F231 A232 T233	F227-M229 VanDerWaalsContact C-N 3.28Å; F227-M229 PolarHBondContact O-N 2.73Å; M229-F231 HydrophobicContact CE-CB 4.19Å; M229-F231 HydrophobicContact SD-CB 4.46Å; M229-A232 HydrophobicContact CB-CB 3.96Å; M229-A232 HydrophobicContact CG-CB 4.25Å; M229-A232 HydrophobicContact SD-CB 3.99Å; M229-T233 PolarHBondContact O-N 3.28Å; M229-T233 VanDerWaalsContact O-N 3.1Å; M229-T233 PolarHBondContact O-OG1 3.38Å
230	G	90.6	Very high	95.7	Very high	9 Å²	9	29.7 Å²	29.7	9%	0.093	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-47.8	-179.9	0	0	0	0	0	113.6	A232 T233 M366	G230-A232 PolarHBondContact O-N 3.04Å; G230-T233 VanDerWaalsContact O-CB 3.24Å; G230-T233 WeakPolarHBondContact O-CB 3.05Å; G230-T233 PolarHBondContact O-N 3.39Å; G230-T233 VanDerWaalsContact O-N 3.17Å; G230-M366 WeakPolarHBondContact O-CE 3.09Å
231	F	94.4	Very high	95.7	Very high	78 Å²	78	25.8 Å²	25.8	34%	0.342	15%	0.146	S	C	.	.	H	α-helix	trans	-59.5	-47	177.9	-174.2	-79.2	0	0	0	111.9	M229 T233 N234 S235 H255 T256 S257 L260	M229-F231 HydrophobicContact CE-CB 4.19Å; M229-F231 HydrophobicContact SD-CB 4.46Å; F231-T233 PolarHBondContact O-N 2.78Å; F231-N234 PolarHBondContact O-N 2.94Å; F231-S235 PolarHBondContact O-N 3.01Å; F231-H255 AromaticContact CD2-CE1 3.89Å; F231-T256 HydrophobicContact CE2-CG2 4.37Å; F231-T256 HydrophobicContact CZ-CG2 4.36Å; F231-S257 WeakPolarHBondContact O-CB 3.45Å; F231-L260 HydrophobicContact CE1-CD2 3.75Å; F231-L260 HydrophobicContact CZ-CD2 4.1Å
232	A	93.3	Very high	95.6	Very high	18 Å²	18	25.5 Å²	25.5	15%	0.149	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-24.9	179.9	0	0	0	0	0	113	M229 G230 N234 S235 M236	M229-A232 HydrophobicContact CB-CB 3.96Å; M229-A232 HydrophobicContact CG-CB 4.25Å; M229-A232 HydrophobicContact SD-CB 3.99Å; G230-A232 PolarHBondContact O-N 3.04Å; A232-N234 PolarHBondContact O-N 3.23Å; A232-S235 WeakPolarHBondContact CA-OG 3.44Å; A232-S235 PolarHBondContact O-N 2.95Å; A232-M236 HydrophobicContact CB-CG 4.02Å; A232-M236 VanDerWaalsContact O-CB 3.28Å; A232-M236 WeakPolarHBondContact O-CB 3.49Å; A232-M236 PolarHBondContact O-N 2.91Å
233	T	95.8	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.2	-39.9	177	-59.2	0	0	0	0	111	F227 M229 G230 F231 N237 M366 I380	F227-T233 HydrophobicContact CD2-CG2 3.58Å; F227-T233 HydrophobicContact CE2-CG2 3.97Å; F227-T233 HydrophobicContact CG-CG2 4.46Å; M229-T233 PolarHBondContact O-N 3.28Å; M229-T233 VanDerWaalsContact O-N 3.1Å; M229-T233 PolarHBondContact O-OG1 3.38Å; G230-T233 VanDerWaalsContact O-CB 3.24Å; G230-T233 WeakPolarHBondContact O-CB 3.05Å; G230-T233 PolarHBondContact O-N 3.39Å; G230-T233 VanDerWaalsContact O-N 3.17Å; F231-T233 PolarHBondContact O-N 2.78Å; T233-N237 VanDerWaalsContact O-CB 3.31Å; T233-N237 WeakPolarHBondContact O-CB 3.35Å; T233-N237 PolarHBondContact O-ND2 2.78Å; T233-M366 HydrophobicContact CG2-CE 3.84Å; T233-M366 HydrophobicContact CG2-CG 3.69Å; T233-I380 HydrophobicContact CG2-CD1 4.33Å; T233-I380 HydrophobicContact CG2-CG1 3.93Å
234	N	97.1	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-78.4	-56.7	171.4	-72.5	-29.5	0	0	0	111.6	F231 A232 M236 N237 I238 S257 L258 Y334 D336 M366	F231-N234 PolarHBondContact O-N 2.94Å; A232-N234 PolarHBondContact O-N 3.23Å; N234-M236 PolarHBondContact O-N 3.42Å; N234-M236 VanDerWaalsContact O-N 3.13Å; N234-N237 PolarHBondContact O-N 2.97Å; N234-I238 HydrophobicContact CB-CD1 4.31Å; N234-I238 WeakPolarHBondContact O-CG1 3.36Å; N234-I238 PolarHBondContact O-N 2.72Å; N234-I238 VanDerWaalsContact O-N 3.15Å; N234-S257 PolarHBondContact ND2-OG 2.87Å; N234-L258 HydrophobicContact CB-CD2 4.11Å; N234-Y334 WeakPolarHBondContact OD1-CE1 3.07Å; N234-Y334 PolarHBondContact OD1-OH 3.34Å; N234-D336 PolarHBondContact ND2-OD2 3.08Å; N234-M366 HydrophobicContact CB-CE 4.49Å; N234-M366 VanDerWaalsContact CG-CE 3.47Å; N234-M366 WeakPolarHBondContact ND2-CE 3.35Å; N234-M366 WeakPolarHBondContact OD1-CE 2.91Å; N234-M366 VanDerWaalsContact OD1-CG 3.26Å; N234-M366 WeakPolarHBondContact OD1-CG 3.49Å; N234-M366 PolarHBondContact OD1-SD 3.37Å; N234-M366 VanDerWaalsContact OD1-SD 3.36Å
235	S	95.9	Very high	95.4	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-27.4	-164.3	67.5	0	0	0	0	114	F231 A232 P239 G261	F231-S235 PolarHBondContact O-N 3.01Å; A232-S235 WeakPolarHBondContact CA-OG 3.44Å; A232-S235 PolarHBondContact O-N 2.95Å; S235-P239 WeakPolarHBondContact O-CD 3.46Å; S235-G261 WeakPolarHBondContact O-CA 3.33Å
236	M	93.9	Very high	95.5	Very high	65 Å²	65	29.9 Å²	29.9	32%	0.32	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-12	-175.2	-58.6	-55.7	-78.5	0	0	113.9	A232 N234 H395 S396	A232-M236 HydrophobicContact CB-CG 4.02Å; A232-M236 VanDerWaalsContact O-CB 3.28Å; A232-M236 WeakPolarHBondContact O-CB 3.49Å; A232-M236 PolarHBondContact O-N 2.91Å; N234-M236 PolarHBondContact O-N 3.42Å; N234-M236 VanDerWaalsContact O-N 3.13Å; M236-H395 HydrophobicContact CB-CB 4.29Å; M236-H395 HydrophobicContact CE-CB 3.62Å; M236-S396 WeakPolarHBondContact CB-OG 3.5Å
237	N	96	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-32.7	179.9	-69.2	-70.7	0	0	0	113.6	F227 T233 N234 P239 A240 I380 L390 S394	F227-N237 WeakPolarHBondContact CZ-ND2 3.44Å; F227-N237 WeakPolarHBondContact CZ-OD1 3.4Å; T233-N237 VanDerWaalsContact O-CB 3.31Å; T233-N237 WeakPolarHBondContact O-CB 3.35Å; T233-N237 PolarHBondContact O-ND2 2.78Å; N234-N237 PolarHBondContact O-N 2.97Å; N237-P239 VanDerWaalsContact C-CD 3.46Å; N237-P239 VanDerWaalsContact C-N 3.31Å; N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 2.88Å; N237-I380 HydrophobicContact CB-CD1 3.45Å; N237-I380 VanDerWaalsContact CB-CD1 3.45Å; N237-L390 HydrophobicContact CB-CD2 4.35Å; N237-S394 WeakPolarHBondContact OD1-CB 3.27Å; N237-S394 PolarHBondContact OD1-OG 3.18Å
238	I	97.6	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-53.7	-42.9	174.7	-68.1	166.6	0	0	0	112	N234 A240 L241 V242 I248 L258 L305 Y334	N234-I238 HydrophobicContact CB-CD1 4.31Å; N234-I238 WeakPolarHBondContact O-CG1 3.36Å; N234-I238 PolarHBondContact O-N 2.72Å; N234-I238 VanDerWaalsContact O-N 3.15Å; I238-A240 PolarHBondContact O-N 2.9Å; I238-A240 VanDerWaalsContact O-N 3.15Å; I238-L241 PolarHBondContact O-N 3.42Å; I238-V242 HydrophobicContact CG2-CG2 3.99Å; I238-V242 WeakPolarHBondContact O-CG2 3.23Å; I238-V242 PolarHBondContact O-N 3.12Å; I238-I248 HydrophobicContact CG2-CD1 4.31Å; I238-L258 HydrophobicContact CD1-CD2 3.89Å; I238-L305 HydrophobicContact CD1-CD1 4.3Å; I238-Y334 HydrophobicContact CG1-CE2 4.01Å
239	P	96.7	Very high	96.1	Very high	28 Å²	28	27.5 Å²	27.5	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-20.2	176.4	-25.3	36.2	0	0	0	115.2	S235 N237 L264	S235-P239 WeakPolarHBondContact O-CD 3.46Å; N237-P239 VanDerWaalsContact C-CD 3.46Å; N237-P239 VanDerWaalsContact C-N 3.31Å; P239-L264 HydrophobicContact CG-CB 3.74Å
240	A	96.2	Very high	96.4	Very high	11 Å²	11	22.3 Å²	22.3	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-78.6	-26.2	175.3	0	0	0	0	0	112.1	N237 I238 Y389 L390 H393	N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 2.88Å; I238-A240 PolarHBondContact O-N 2.9Å; I238-A240 VanDerWaalsContact O-N 3.15Å; A240-Y389 HydrophobicContact CB-CE1 4.46Å; A240-Y389 WeakPolarHBondContact O-CE1 3.16Å; A240-Y389 PolarHBondContact O-OH 2.82Å; A240-L390 HydrophobicContact CB-CD2 3.97Å; A240-H393 HydrophobicContact CB-CB 4.4Å
241	L	96.9	Very high	96.8	Very high	16 Å²	16	22 Å²	22	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-88.6	-35.5	-173.1	-60.6	177	0	0	0	113.2	I238 K301 Y334 V364 L386 L390	I238-L241 PolarHBondContact O-N 3.42Å; L241-K301 PolarHBondContact O-NZ 2.88Å; L241-Y334 HydrophobicContact CD1-CD2 4.08Å; L241-Y334 HydrophobicContact CD1-CE2 4.09Å; L241-V364 HydrophobicContact CD1-CG2 4.04Å; L241-L386 HydrophobicContact CD2-CD1 3.49Å; L241-L386 VanDerWaalsContact CD2-CD1 3.49Å; L241-L390 HydrophobicContact CD2-CD1 4.49Å; L241-L390 HydrophobicContact CD2-CD2 3.84Å; L241-L390 HydrophobicContact CD2-CG 4.24Å; L241-L390 HydrophobicContact CG-CD2 4.28Å
242	V	97.5	Very high	96.8	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.055	13%	0.126	C	C	.	.			trans	-138.6	155.7	-174.1	-70	0	0	0	0	111	I238 C246 I248 S265 K301 L303	I238-V242 HydrophobicContact CG2-CG2 3.99Å; I238-V242 WeakPolarHBondContact O-CG2 3.23Å; I238-V242 PolarHBondContact O-N 3.12Å; V242-C246 HydrophobicContact CB-CB 3.97Å; V242-C246 HydrophobicContact CG1-CB 4.17Å; V242-I248 HydrophobicContact CG2-CD1 3.79Å; V242-I248 HydrophobicContact CG2-CG1 4.1Å; V242-S265 WeakPolarHBondContact O-CB 3.39Å; V242-K301 HydrophobicContact CG1-CB 4.45Å; V242-K301 HydrophobicContact CG1-CD 4.44Å; V242-L303 HydrophobicContact CG1-CB 4.02Å; V242-L303 HydrophobicContact CG1-CD2 3.89Å; V242-L303 HydrophobicContact CG2-CD2 4.13Å
243	G	97.1	Very high	96.9	Very high	18 Å²	18	25.6 Å²	25.6	19%	0.186	14%	0.136	C	C	.	.			trans	-166.1	-150.8	175.1	0	0	0	0	0	112.9	G245 C246 S265	G243-G245 PolarHBondContact O-N 3.35Å; G243-C246 WeakPolarHBondContact O-CB 3.33Å; G243-C246 PolarHBondContact O-N 3.3Å; G243-C246 PolarHBondContact O-SG 3.19Å; G243-C246 VanDerWaalsContact O-SG 3.42Å; G243-S265 VanDerWaalsContact CA-O 3.23Å; G243-S265 WeakPolarHBondContact CA-O 3.18Å
244	K	96.1	Very high	96.9	Very high	180 Å²	180	26.1 Å²	26.1	78%	0.783	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	126.7	-178.9	-67.9	-176.8	-178.1	177	0	112.2
245	G	96.7	Very high	96.8	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	4.8	-176.4	0	0	0	0	0	115.1	G243 K300	G243-G245 PolarHBondContact O-N 3.35Å; G245-K300 PolarHBondContact O-N 2.96Å
246	C	98.3	Very high	96.8	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.061	18%	0.18	C	C	.	.			trans	-100.8	159	168	-52.8	0	0	0	0	110.8	V242 G243 A267 T268 W299 K301	V242-C246 HydrophobicContact CB-CB 3.97Å; V242-C246 HydrophobicContact CG1-CB 4.17Å; G243-C246 WeakPolarHBondContact O-CB 3.33Å; G243-C246 PolarHBondContact O-N 3.3Å; G243-C246 PolarHBondContact O-SG 3.19Å; G243-C246 VanDerWaalsContact O-SG 3.42Å; C246-A267 HydrophobicContact CB-CB 4.23Å; C246-T268 PolarHBondContact O-N 2.79Å; C246-W299 VanDerWaalsContact O-CZ3 3.27Å; C246-W299 WeakPolarHBondContact O-CZ3 3.42Å; C246-K301 CarbonylContact C-O 3.45Å; C246-K301 VanDerWaalsContact CA-O 3.32Å; C246-K301 WeakPolarHBondContact CA-O 3.03Å; C246-K301 HydrophobicContact CB-CB 4.35Å
247	L	98.6	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.5	173.9	175.9	62.8	0	0	0	109.8	L249 T268 R270 A287 W299 K301 I302 L303	L247-L249 HydrophobicContact CD1-CD2 4.11Å; L247-L249 HydrophobicContact CD2-CD2 3.89Å; L247-L249 HydrophobicContact CD2-CG 4.32Å; L247-L249 HydrophobicContact CG-CD2 3.94Å; L247-L249 HydrophobicContact CG-CG 4.28Å; L247-T268 CarbonylContact C-O 3.56Å; L247-T268 WeakPolarHBondContact CA-O 3.48Å; L247-T268 HydrophobicContact CD1-CG2 4.21Å; L247-R270 HydrophobicContact CD1-CB 4.35Å; L247-R270 HydrophobicContact CD1-CG 3.89Å; L247-A287 HydrophobicContact CD2-CB 3.31Å; L247-W299 HydrophobicContact CB-CD2 3.64Å; L247-W299 HydrophobicContact CB-CE3 3.59Å; L247-W299 HydrophobicContact CB-CG 4.21Å; L247-W299 HydrophobicContact CB-CH2 4.09Å; L247-W299 HydrophobicContact CB-CZ2 4.15Å; L247-W299 HydrophobicContact CB-CZ3 3.83Å; L247-W299 HydrophobicContact CD1-CH2 4.19Å; L247-W299 HydrophobicContact CD1-CZ2 4.23Å; L247-W299 HydrophobicContact CD2-CD2 4.44Å; L247-W299 HydrophobicContact CD2-CZ2 4.2Å; L247-W299 HydrophobicContact CG-CZ2 4.45Å; L247-K301 PolarHBondContact N-O 3.41Å; L247-I302 HydrophobicContact CB-CG1 4.3Å; L247-I302 HydrophobicContact CB-CG2 4.43Å; L247-I302 HydrophobicContact CD2-CG1 4.43Å; L247-I302 HydrophobicContact CD2-CG2 4.14Å; L247-I302 HydrophobicContact CG-CG2 4.35Å; L247-I302 CarbonylContact O-C 3.6Å; L247-I302 WeakPolarHBondContact O-CA 3.35Å; L247-L303 PolarHBondContact O-N 3.13Å
248	I	98.8	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	168.1	-64.8	176.1	0	0	0	107.8	I238 V242 A262 A267 T268 I269 R270 L303 L305	I238-I248 HydrophobicContact CG2-CD1 4.31Å; V242-I248 HydrophobicContact CG2-CD1 3.79Å; V242-I248 HydrophobicContact CG2-CG1 4.1Å; I248-A262 HydrophobicContact CD1-CB 3.71Å; I248-A262 HydrophobicContact CG2-CB 4.27Å; I248-A267 HydrophobicContact CD1-CB 3.86Å; I248-A267 HydrophobicContact CG1-CB 3.94Å; I248-T268 PolarHBondContact N-O 3.08Å; I248-I269 HydrophobicContact CB-CG1 4.35Å; I248-I269 HydrophobicContact CG2-CG2 4.5Å; I248-I269 WeakPolarHBondContact O-CA 3.37Å; I248-R270 PolarHBondContact O-N 3.48Å; I248-L303 CarbonylContact C-O 3.53Å; I248-L303 WeakPolarHBondContact CA-O 3.31Å; I248-L305 HydrophobicContact CG2-CD1 3.46Å; I248-L305 VanDerWaalsContact CG2-CD1 3.46Å; I248-L305 HydrophobicContact CG2-CG 3.77Å
249	L	98.7	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.6	168.2	-60.2	-176.7	0	0	0	107.6	L247 R270 F272 L280 L283 L284 I302 L303 I304 L305	L247-L249 HydrophobicContact CD1-CD2 4.11Å; L247-L249 HydrophobicContact CD2-CD2 3.89Å; L247-L249 HydrophobicContact CD2-CG 4.32Å; L247-L249 HydrophobicContact CG-CD2 3.94Å; L247-L249 HydrophobicContact CG-CG 4.28Å; L249-R270 WeakPolarHBondContact CA-O 3.21Å; L249-R270 HydrophobicContact CD2-CB 3.88Å; L249-F272 HydrophobicContact CB-CD1 4.26Å; L249-F272 HydrophobicContact CB-CE1 4.44Å; L249-L280 HydrophobicContact CB-CD1 4.08Å; L249-L280 HydrophobicContact CD1-CD1 3.73Å; L249-L283 HydrophobicContact CD1-CB 4.35Å; L249-L283 HydrophobicContact CD2-CB 3.97Å; L249-L283 HydrophobicContact CD2-CD1 4.12Å; L249-L284 HydrophobicContact CD1-CD2 3.46Å; L249-L284 VanDerWaalsContact CD1-CD2 3.46Å; L249-L284 HydrophobicContact CD1-CG 3.59Å; L249-I302 HydrophobicContact CD1-CG2 4.1Å; L249-I302 HydrophobicContact CG-CG2 4.27Å; L249-L303 PolarHBondContact N-O 2.94Å; L249-I304 WeakPolarHBondContact O-CA 3.44Å; L249-L305 PolarHBondContact O-N 3.23Å
250	S	98.5	Very high	97	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.2	-177	-177	0	0	0	0	110.2	N254 R270 I271 F272	S250-N254 PolarHBondContact OG-ND2 3Å; S250-R270 PolarHBondContact N-O 3.15Å; S250-I271 VanDerWaalsContact O-CA 3.27Å; S250-I271 WeakPolarHBondContact O-CA 3.36Å; S250-F272 VanDerWaalsContact C-CD1 3.48Å; S250-F272 VanDerWaalsContact O-CD1 3.26Å; S250-F272 WeakPolarHBondContact O-CD1 3.24Å; S250-F272 PolarHBondContact O-N 2.63Å
251	D	98.3	Very high	97	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	146.2	163.5	-167.8	-75.2	0	0	0	109.5	L253 N254 F272 H274 N275 L305 V306 Y310	D251-L253 VanDerWaalsContact C-N 3.27Å; D251-L253 PolarHBondContact O-N 2.9Å; D251-L253 PolarHBondContact OD1-N 2.9Å; D251-N254 PolarHBondContact N-ND2 3.36Å; D251-N254 VanDerWaalsContact N-ND2 3.2Å; D251-N254 WeakPolarHBondContact O-CB 3.42Å; D251-N254 PolarHBondContact O-N 3.31Å; D251-F272 HydrophobicContact CB-CE1 4.25Å; D251-F272 HydrophobicContact CB-CE2 4.07Å; D251-F272 HydrophobicContact CB-CZ 3.71Å; D251-H274 IonicContact OD1-CG 3.4Å; D251-H274 IonicContact OD1-ND1 3.31Å; D251-H274 PolarHBondContact OD1-ND1 3.11Å; D251-H274 IonicContact OD2-ND1 3.85Å; D251-H274 PolarHBondContact OD2-ND1 2.97Å; D251-N275 PolarHBondContact OD2-N 3.47Å; D251-L305 PolarHBondContact N-O 3.19Å; D251-V306 HydrophobicContact CB-CG1 4.47Å; D251-Y310 HydrophobicContact CB-CE1 4.2Å; D251-Y310 WeakPolarHBondContact OD1-CE1 3.1Å; D251-Y310 PolarHBondContact OD2-OH 2.87Å
252	E	95.6	Very high	97.1	Very high	103 Å²	103	33.5 Å²	33.5	48%	0.481	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.3	-177	75.1	-170.4	167	0	0	113.8	I271 F272 H274	E252-I271 HydrophobicContact CB-CG2 3.54Å; E252-F272 PolarHBondContact N-O 3.23Å; E252-F272 VanDerWaalsContact N-O 3.1Å; E252-H274 HydrophobicContact CG-CB 3.71Å; E252-H274 WeakPolarHBondContact OE1-CB 3.47Å; E252-H274 PolarHBondContact OE1-N 3.09Å
253	L	94.4	Very high	97.1	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.356	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	10.9	-179.9	-57.3	-173	0	0	0	113.3	D251 H255 H274 Y310 E313	D251-L253 VanDerWaalsContact C-N 3.27Å; D251-L253 PolarHBondContact O-N 2.9Å; D251-L253 PolarHBondContact OD1-N 2.9Å; L253-H255 PolarHBondContact O-N 2.85Å; L253-H274 HydrophobicContact CD1-CB 4Å; L253-H274 HydrophobicContact CG-CB 4.02Å; L253-Y310 HydrophobicContact CB-CD1 4.18Å; L253-Y310 HydrophobicContact CB-CE1 4.5Å; L253-E313 VanDerWaalsContact CD1-CD 3.45Å; L253-E313 HydrophobicContact CD1-CG 3.68Å
254	N	96.4	Very high	97.1	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.059	22%	0.224	C	C	.	.			trans	-55.9	137.5	177.1	-89.1	-17.3	0	0	0	112	S250 D251 L258 V259 L305 E307	S250-N254 PolarHBondContact OG-ND2 3Å; D251-N254 PolarHBondContact N-ND2 3.36Å; D251-N254 VanDerWaalsContact N-ND2 3.2Å; D251-N254 WeakPolarHBondContact O-CB 3.42Å; D251-N254 PolarHBondContact O-N 3.31Å; N254-L258 HydrophobicContact CB-CB 4.27Å; N254-L258 HydrophobicContact CB-CD1 3.98Å; N254-V259 WeakPolarHBondContact O-CG2 3.44Å; N254-L305 PolarHBondContact ND2-O 2.7Å; N254-E307 WeakPolarHBondContact CA-OE1 3.29Å
255	H	95.6	Very high	97.1	Very high	70 Å²	70	37.5 Å²	37.5	32%	0.324	19%	0.191	S	C	.	.			trans	-57.3	147.5	-178.1	-177.1	-99.9	0	0	0	112.2	F231 L253 S257 L258 V259 E307	F231-H255 AromaticContact CD2-CE1 3.89Å; L253-H255 PolarHBondContact O-N 2.85Å; H255-S257 WeakPolarHBondContact ND1-CB 3.25Å; H255-S257 PolarHBondContact ND1-N 3.49Å; H255-S257 PolarHBondContact ND1-OG 2.98Å; H255-S257 PolarHBondContact O-N 2.71Å; H255-L258 WeakPolarHBondContact O-CB 3.49Å; H255-L258 PolarHBondContact O-N 3.49Å; H255-V259 PolarHBondContact O-N 3.49Å; H255-V259 VanDerWaalsContact O-N 3.15Å; H255-E307 WeakPolarHBondContact CA-OE1 3.18Å; H255-E307 VanDerWaalsContact CB-OE1 3.28Å; H255-E307 WeakPolarHBondContact CB-OE1 3.25Å; H255-E307 PolarHBondContact N-OE1 2.87Å
256	T	94.8	Very high	97.1	Very high	96 Å²	96	38.9 Å²	38.9	59%	0.589	21%	0.206	S	C	*	.	H	α-helix	trans	-51.9	-30.7	-177	-53.7	0	0	0	0	113.6	F231 V259 L260	F231-T256 HydrophobicContact CE2-CG2 4.37Å; F231-T256 HydrophobicContact CZ-CG2 4.36Å; T256-V259 PolarHBondContact O-N 3.38Å; T256-L260 VanDerWaalsContact O-CB 3.3Å; T256-L260 WeakPolarHBondContact O-CB 3.31Å; T256-L260 PolarHBondContact O-N 3.26Å
257	S	96.5	Very high	97	Very high	3 Å²	3	39 Å²	39	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-38.5	176.5	64.6	0	0	0	0	113.4	F231 N234 H255 G261	F231-S257 WeakPolarHBondContact O-CB 3.45Å; N234-S257 PolarHBondContact ND2-OG 2.87Å; H255-S257 WeakPolarHBondContact ND1-CB 3.25Å; H255-S257 PolarHBondContact ND1-N 3.49Å; H255-S257 PolarHBondContact ND1-OG 2.98Å; H255-S257 PolarHBondContact O-N 2.71Å; S257-G261 PolarHBondContact O-N 2.71Å
258	L	97.7	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-45.9	172.8	-68	168.8	0	0	0	110.1	N234 I238 N254 H255 L260 G261 A262 E307 Y334 D336	N234-L258 HydrophobicContact CB-CD2 4.11Å; I238-L258 HydrophobicContact CD1-CD2 3.89Å; N254-L258 HydrophobicContact CB-CB 4.27Å; N254-L258 HydrophobicContact CB-CD1 3.98Å; H255-L258 WeakPolarHBondContact O-CB 3.49Å; H255-L258 PolarHBondContact O-N 3.49Å; L258-L260 VanDerWaalsContact C-N 3.34Å; L258-L260 PolarHBondContact O-N 2.82Å; L258-G261 PolarHBondContact O-N 3.11Å; L258-A262 WeakPolarHBondContact O-CB 3.4Å; L258-A262 PolarHBondContact O-N 3.29Å; L258-E307 HydrophobicContact CD1-CG 3.99Å; L258-Y334 HydrophobicContact CD2-CD1 4.14Å; L258-Y334 HydrophobicContact CD2-CE1 3.79Å; L258-D336 HydrophobicContact CD1-CB 4.12Å; L258-D336 HydrophobicContact CD2-CB 4.47Å
259	V	97	Very high	97	Very high	44 Å²	44	44.4 Å²	44.4	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-45.4	177.8	176.8	0	0	0	0	111.1	N254 H255 T256 A262 R263	N254-V259 WeakPolarHBondContact O-CG2 3.44Å; H255-V259 PolarHBondContact O-N 3.49Å; H255-V259 VanDerWaalsContact O-N 3.15Å; T256-V259 PolarHBondContact O-N 3.38Å; V259-A262 PolarHBondContact O-N 3.35Å; V259-R263 VanDerWaalsContact O-CG 3.31Å; V259-R263 WeakPolarHBondContact O-CG 3.28Å; V259-R263 PolarHBondContact O-N 2.88Å
260	L	97.2	Very high	96.9	Very high	68 Å²	68	47.8 Å²	47.8	36%	0.356	25%	0.25	S	S	.	.	H	α-helix	trans	-64	-47.5	177.3	-177.8	63.4	0	0	0	111.2	F231 T256 L258 A262 R263 L264	F231-L260 HydrophobicContact CE1-CD2 3.75Å; F231-L260 HydrophobicContact CZ-CD2 4.1Å; T256-L260 VanDerWaalsContact O-CB 3.3Å; T256-L260 WeakPolarHBondContact O-CB 3.31Å; T256-L260 PolarHBondContact O-N 3.26Å; L258-L260 VanDerWaalsContact C-N 3.34Å; L258-L260 PolarHBondContact O-N 2.82Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.08Å; L260-R263 PolarHBondContact O-N 2.85Å; L260-L264 HydrophobicContact CD1-CD1 4.21Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CD2-CD1 4.45Å; L260-L264 HydrophobicContact CG-CD1 3.9Å; L260-L264 HydrophobicContact CG-CG 4.28Å; L260-L264 WeakPolarHBondContact O-CB 3.24Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.75Å
261	G	97.3	Very high	96.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-41.4	177.6	0	0	0	0	0	113	S235 S257 L258 L264 S265	S235-G261 WeakPolarHBondContact O-CA 3.33Å; S257-G261 PolarHBondContact O-N 2.71Å; L258-G261 PolarHBondContact O-N 3.11Å; G261-L264 PolarHBondContact O-N 2.78Å; G261-S265 PolarHBondContact O-N 3.26Å; G261-S265 VanDerWaalsContact O-N 3.09Å
262	A	97.8	Very high	96.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174.5	0	0	0	0	0	111.4	I248 L258 V259 L260 S265 I269 L305	I248-A262 HydrophobicContact CD1-CB 3.71Å; I248-A262 HydrophobicContact CG2-CB 4.27Å; L258-A262 WeakPolarHBondContact O-CB 3.4Å; L258-A262 PolarHBondContact O-N 3.29Å; V259-A262 PolarHBondContact O-N 3.35Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.08Å; A262-S265 WeakPolarHBondContact O-CB 3.46Å; A262-S265 PolarHBondContact O-N 2.46Å; A262-S265 PolarHBondContact O-OG 2.79Å; A262-I269 HydrophobicContact CB-CD1 3.82Å; A262-I269 HydrophobicContact CB-CG1 4.29Å; A262-L305 HydrophobicContact CB-CD1 4.19Å
263	R	97.4	Very high	97	Very high	179 Å²	179	54.4 Å²	54.4	68%	0.675	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-44.4	177.2	-72.8	176.4	-177.7	-174.7	2.6	112.3	V259 L260 S265 G266 I269	V259-R263 VanDerWaalsContact O-CG 3.31Å; V259-R263 WeakPolarHBondContact O-CG 3.28Å; V259-R263 PolarHBondContact O-N 2.88Å; L260-R263 PolarHBondContact O-N 2.85Å; R263-S265 PolarHBondContact O-N 3.15Å; R263-G266 PolarHBondContact O-N 3.43Å; R263-I269 HydrophobicContact CG-CD1 4.09Å
264	L	96.6	Very high	97	Very high	98 Å²	98	52.7 Å²	52.7	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-26.6	179.3	-71.4	174.9	0	0	0	113	P239 L260 G261 G266	P239-L264 HydrophobicContact CG-CB 3.74Å; L260-L264 HydrophobicContact CD1-CD1 4.21Å; L260-L264 HydrophobicContact CD1-CG 4.16Å; L260-L264 HydrophobicContact CD2-CD1 4.45Å; L260-L264 HydrophobicContact CG-CD1 3.9Å; L260-L264 HydrophobicContact CG-CG 4.28Å; L260-L264 WeakPolarHBondContact O-CB 3.24Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.75Å; G261-L264 PolarHBondContact O-N 2.78Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 2.83Å
265	S	96.7	Very high	96.9	Very high	13 Å²	13	52.8 Å²	52.8	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-26.1	178.9	77.3	0	0	0	0	114.1	V242 G243 G261 A262 R263 A267	V242-S265 WeakPolarHBondContact O-CB 3.39Å; G243-S265 VanDerWaalsContact CA-O 3.23Å; G243-S265 WeakPolarHBondContact CA-O 3.18Å; G261-S265 PolarHBondContact O-N 3.26Å; G261-S265 VanDerWaalsContact O-N 3.09Å; A262-S265 WeakPolarHBondContact O-CB 3.46Å; A262-S265 PolarHBondContact O-N 2.46Å; A262-S265 PolarHBondContact O-OG 2.79Å; R263-S265 PolarHBondContact O-N 3.15Å; S265-A267 PolarHBondContact O-N 2.88Å; S265-A267 VanDerWaalsContact OG-CB 3.28Å; S265-A267 WeakPolarHBondContact OG-CB 3.39Å; S265-A267 PolarHBondContact OG-N 3.1Å; S265-A267 VanDerWaalsContact OG-N 3.08Å
266	G	96.2	Very high	96.9	Very high	46 Å²	46	52 Å²	52	47%	0.474	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	13.2	-170.3	0	0	0	0	0	114.4	R263 L264	R263-G266 PolarHBondContact O-N 3.43Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 2.83Å
267	A	97.6	Very high	96.9	Very high	12 Å²	12	48.5 Å²	48.5	10%	0.099	25%	0.249	C	C	.	.			trans	-70.3	161.3	169	0	0	0	0	0	111.2	C246 I248 S265	C246-A267 HydrophobicContact CB-CB 4.23Å; I248-A267 HydrophobicContact CD1-CB 3.86Å; I248-A267 HydrophobicContact CG1-CB 3.94Å; S265-A267 PolarHBondContact O-N 2.88Å; S265-A267 VanDerWaalsContact OG-CB 3.28Å; S265-A267 WeakPolarHBondContact OG-CB 3.39Å; S265-A267 PolarHBondContact OG-N 3.1Å; S265-A267 VanDerWaalsContact OG-N 3.08Å
268	T	97.8	Very high	96.9	Very high	50 Å²	50	54.5 Å²	54.5	31%	0.307	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.3	168.4	-58.4	0	0	0	0	108.7	C246 L247 I248 P293 W299	C246-T268 PolarHBondContact O-N 2.79Å; L247-T268 CarbonylContact C-O 3.56Å; L247-T268 WeakPolarHBondContact CA-O 3.48Å; L247-T268 HydrophobicContact CD1-CG2 4.21Å; I248-T268 PolarHBondContact N-O 3.08Å; T268-P293 HydrophobicContact CG2-CG 4.46Å; T268-W299 HydrophobicContact CG2-CH2 3.83Å; T268-W299 HydrophobicContact CG2-CZ3 4.49Å
269	I	98.2	Very high	96.9	Very high	62 Å²	62	55.9 Å²	55.9	32%	0.318	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.7	-179.7	-53.4	167.2	0	0	0	108.4	I248 A262 R263	I248-I269 HydrophobicContact CB-CG1 4.35Å; I248-I269 HydrophobicContact CG2-CG2 4.5Å; I248-I269 WeakPolarHBondContact O-CA 3.37Å; A262-I269 HydrophobicContact CB-CD1 3.82Å; A262-I269 HydrophobicContact CB-CG1 4.29Å; R263-I269 HydrophobicContact CG-CD1 4.09Å
270	R	98.1	Very high	97	Very high	71 Å²	71	53.8 Å²	53.8	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.9	166.4	-63.4	-177.3	179.9	-178.3	-0.4	108.9	L247 I248 L249 S250 L283	L247-R270 HydrophobicContact CD1-CB 4.35Å; L247-R270 HydrophobicContact CD1-CG 3.89Å; I248-R270 PolarHBondContact O-N 3.48Å; L249-R270 WeakPolarHBondContact CA-O 3.21Å; L249-R270 HydrophobicContact CD2-CB 3.88Å; S250-R270 PolarHBondContact N-O 3.15Å; R270-L283 HydrophobicContact CB-CD1 4.15Å
271	I	98.3	Very high	97	Very high	113 Å²	113	53.2 Å²	53.2	58%	0.579	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	134	-178.4	-59.5	170.3	0	0	0	108.4	S250 E252 L283	S250-I271 VanDerWaalsContact O-CA 3.27Å; S250-I271 WeakPolarHBondContact O-CA 3.36Å; E252-I271 HydrophobicContact CB-CG2 3.54Å; I271-L283 WeakPolarHBondContact O-CD1 3.35Å
272	F	98.3	Very high	97.1	Very high	3 Å²	3	59 Å²	59	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	154.6	168.3	65.6	-86.7	0	0	0	110.2	L249 S250 D251 E252 L280 L283 V306	L249-F272 HydrophobicContact CB-CD1 4.26Å; L249-F272 HydrophobicContact CB-CE1 4.44Å; S250-F272 VanDerWaalsContact C-CD1 3.48Å; S250-F272 VanDerWaalsContact O-CD1 3.26Å; S250-F272 WeakPolarHBondContact O-CD1 3.24Å; S250-F272 PolarHBondContact O-N 2.63Å; D251-F272 HydrophobicContact CB-CE1 4.25Å; D251-F272 HydrophobicContact CB-CE2 4.07Å; D251-F272 HydrophobicContact CB-CZ 3.71Å; E252-F272 PolarHBondContact N-O 3.23Å; E252-F272 VanDerWaalsContact N-O 3.1Å; F272-L280 HydrophobicContact CB-CB 4.49Å; F272-L280 HydrophobicContact CD1-CD1 3.88Å; F272-L280 HydrophobicContact CD2-CB 3.98Å; F272-L280 HydrophobicContact CE1-CD1 3.96Å; F272-L280 HydrophobicContact CE2-CB 4.38Å; F272-L280 HydrophobicContact CG-CB 4.11Å; F272-L280 HydrophobicContact CG-CD1 4.25Å; F272-L280 HydrophobicContact CZ-CD1 4.43Å; F272-L283 HydrophobicContact CB-CD1 3.81Å; F272-V306 HydrophobicContact CZ-CG1 3.83Å
273	K	96.9	Very high	97.1	Very high	135 Å²	135	60.2 Å²	60.2	59%	0.587	30%	0.3	S	S	*	.			trans	-61.3	145.9	-178.9	-68.9	-172.6	173.7	-168	0	111.5	N275 N276 S279	K273-N275 PolarHBondContact O-N 2.83Å; K273-N276 HydrophobicContact CB-CB 3.76Å; K273-N276 WeakPolarHBondContact O-CB 3.29Å; K273-N276 PolarHBondContact O-N 3.1Å; K273-N276 VanDerWaalsContact O-N 3.08Å; K273-S279 PolarHBondContact N-OG 2.92Å
274	H	95.2	Very high	97.2	Very high	32 Å²	32	51.7 Å²	51.7	15%	0.148	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	126.5	-173.6	-178.9	54	0	0	0	111.7	D251 E252 L253 N276 Y310 S315	D251-H274 IonicContact OD1-CG 3.4Å; D251-H274 IonicContact OD1-ND1 3.31Å; D251-H274 PolarHBondContact OD1-ND1 3.11Å; D251-H274 IonicContact OD2-ND1 3.85Å; D251-H274 PolarHBondContact OD2-ND1 2.97Å; E252-H274 HydrophobicContact CG-CB 3.71Å; E252-H274 WeakPolarHBondContact OE1-CB 3.47Å; E252-H274 PolarHBondContact OE1-N 3.09Å; L253-H274 HydrophobicContact CD1-CB 4Å; L253-H274 HydrophobicContact CG-CB 4.02Å; H274-N276 PolarHBondContact O-N 2.96Å; H274-Y310 AromaticContact CE1-CD1 3.44Å; H274-Y310 VanDerWaalsContact CE1-CD1 3.44Å; H274-Y310 WeakPolarHBondContact CE1-CD1 3.43Å; H274-Y310 AromaticContact CE1-CD2 3.49Å; H274-Y310 VanDerWaalsContact CE1-CD2 3.49Å; H274-Y310 WeakPolarHBondContact CE1-CD2 3.3Å; H274-Y310 AromaticContact CE1-CE1 3.44Å; H274-Y310 VanDerWaalsContact CE1-CE1 3.44Å; H274-Y310 WeakPolarHBondContact CE1-CE1 3.22Å; H274-Y310 AromaticContact CE1-CE2 3.52Å; H274-Y310 AromaticContact CE1-CG 3.44Å; H274-Y310 VanDerWaalsContact CE1-CG 3.44Å; H274-Y310 AromaticContact CE1-CZ 3.48Å; H274-Y310 VanDerWaalsContact CE1-CZ 3.48Å; H274-Y310 AromaticContact ND1-CD1 3.93Å; H274-Y310 AromaticContact ND1-CE1 3.61Å; H274-Y310 AromaticContact ND1-CZ 3.79Å; H274-S315 PolarHBondContact CE1-OG 3.38Å; H274-S315 PolarHBondContact NE2-OG 2.92Å
275	N	93	Very high	97.2	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.064	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	16.4	177.6	-143.8	11.2	0	0	0	114.7	E53 D251 K273 I316 H318	E53-N275 PolarHBondContact OE2-ND2 3.31Å; D251-N275 PolarHBondContact OD2-N 3.47Å; K273-N275 PolarHBondContact O-N 2.83Å; N275-I316 PolarHBondContact ND2-O 3.11Å; N275-I316 VanDerWaalsContact ND2-O 3.1Å; N275-H318 PolarHBondContact ND2-CD2 2.91Å; N275-H318 VanDerWaalsContact ND2-CD2 3.3Å; N275-H318 PolarHBondContact ND2-NE2 3.33Å; N275-H318 PolarHBondContact O-ND1 2.78Å; N275-H318 WeakPolarHBondContact OD1-CB 3.42Å; N275-H318 PolarHBondContact OD1-N 3.1Å; N275-H318 PolarHBondContact OD1-ND1 2.67Å
276	N	95.8	Very high	97.3	Very high	54 Å²	54	53.8 Å²	53.8	29%	0.289	27%	0.27	S	S	.	.			trans	-98.9	99.1	-172.5	-169.9	-64.3	0	0	0	111	K273 H274 Q278 S279 L280	K273-N276 HydrophobicContact CB-CB 3.76Å; K273-N276 WeakPolarHBondContact O-CB 3.29Å; K273-N276 PolarHBondContact O-N 3.1Å; K273-N276 VanDerWaalsContact O-N 3.08Å; H274-N276 PolarHBondContact O-N 2.96Å; N276-Q278 VanDerWaalsContact C-N 3.29Å; N276-Q278 PolarHBondContact O-N 3.14Å; N276-Q278 PolarHBondContact OD1-N 2.86Å; N276-Q278 PolarHBondContact OD1-OE1 2.95Å; N276-S279 WeakPolarHBondContact O-CB 3.42Å; N276-S279 PolarHBondContact O-N 2.98Å; N276-S279 VanDerWaalsContact OD1-CB 3.31Å; N276-S279 WeakPolarHBondContact OD1-CB 3.33Å; N276-S279 PolarHBondContact OD1-N 3.5Å; N276-L280 PolarHBondContact O-N 3.08Å; N276-L280 VanDerWaalsContact O-N 3.11Å
277	T	94.8	Very high	97.3	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-27.8	-175.5	56.2	0	0	0	0	112.8	L280 E281 H318 Q321 I322	T277-L280 PolarHBondContact O-N 2.91Å; T277-E281 WeakPolarHBondContact O-CB 3.44Å; T277-E281 PolarHBondContact O-N 3.49Å; T277-H318 HydrophobicContact CG2-CB 4.02Å; T277-Q321 HydrophobicContact CG2-CB 3.62Å; T277-Q321 HydrophobicContact CG2-CG 4.39Å; T277-I322 HydrophobicContact CG2-CG1 4.48Å
278	Q	97.1	Very high	97.3	Very high	129 Å²	129	55.2 Å²	55.2	60%	0.603	27%	0.268	S	S	*	.	H	α-helix	trans	-71.3	-39	176	-59.2	81.4	9.5	0	0	111.8	N276 E281 K282	N276-Q278 VanDerWaalsContact C-N 3.29Å; N276-Q278 PolarHBondContact O-N 3.14Å; N276-Q278 PolarHBondContact OD1-N 2.86Å; N276-Q278 PolarHBondContact OD1-OE1 2.95Å; Q278-E281 PolarHBondContact O-N 3.13Å; Q278-K282 WeakPolarHBondContact O-CB 3.44Å; Q278-K282 PolarHBondContact O-N 3.36Å
279	S	98.1	Very high	97.2	Very high	29 Å²	29	58 Å²	58	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-46	173.4	-174.1	0	0	0	0	110.4	K273 N276 K282 L283	K273-S279 PolarHBondContact N-OG 2.92Å; N276-S279 WeakPolarHBondContact O-CB 3.42Å; N276-S279 PolarHBondContact O-N 2.98Å; N276-S279 VanDerWaalsContact OD1-CB 3.31Å; N276-S279 WeakPolarHBondContact OD1-CB 3.33Å; N276-S279 PolarHBondContact OD1-N 3.5Å; S279-K282 PolarHBondContact O-N 3.29Å; S279-L283 PolarHBondContact O-N 3.28Å
280	L	98.5	Very high	97.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-49.5	174.8	176.9	59.1	0	0	0	112.1	L249 F272 N276 T277 K282 L283 L284 I304 I322 L325	L249-L280 HydrophobicContact CB-CD1 4.08Å; L249-L280 HydrophobicContact CD1-CD1 3.73Å; F272-L280 HydrophobicContact CB-CB 4.49Å; F272-L280 HydrophobicContact CD1-CD1 3.88Å; F272-L280 HydrophobicContact CD2-CB 3.98Å; F272-L280 HydrophobicContact CE1-CD1 3.96Å; F272-L280 HydrophobicContact CE2-CB 4.38Å; F272-L280 HydrophobicContact CG-CB 4.11Å; F272-L280 HydrophobicContact CG-CD1 4.25Å; F272-L280 HydrophobicContact CZ-CD1 4.43Å; N276-L280 PolarHBondContact O-N 3.08Å; N276-L280 VanDerWaalsContact O-N 3.11Å; T277-L280 PolarHBondContact O-N 2.91Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 2.9Å; L280-L283 PolarHBondContact O-N 2.87Å; L280-L283 VanDerWaalsContact O-N 3.15Å; L280-L284 HydrophobicContact CD1-CD1 4.11Å; L280-L284 HydrophobicContact CD1-CG 4.23Å; L280-L284 HydrophobicContact CG-CD1 3.94Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.48Å; L280-I304 HydrophobicContact CD1-CD1 4.47Å; L280-I304 HydrophobicContact CD1-CG1 4.35Å; L280-I304 HydrophobicContact CD1-CG2 4.33Å; L280-I304 HydrophobicContact CD2-CD1 4.42Å; L280-I304 HydrophobicContact CD2-CG2 4.27Å; L280-I322 HydrophobicContact CD2-CD1 4.38Å; L280-I322 HydrophobicContact CD2-CG1 3.95Å; L280-I322 HydrophobicContact CD2-CG2 4.32Å; L280-L325 HydrophobicContact CB-CD1 4.43Å; L280-L325 HydrophobicContact CD2-CD1 4.02Å; L280-L325 HydrophobicContact CG-CD1 4.14Å
281	E	98.5	Very high	96.9	Very high	56 Å²	56	57.8 Å²	57.8	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-41.3	179.6	-178.5	169.1	-156.2	0	0	111.9	T277 Q278 L283 L284 R285 L325 K328 Y329	T277-E281 WeakPolarHBondContact O-CB 3.44Å; T277-E281 PolarHBondContact O-N 3.49Å; Q278-E281 PolarHBondContact O-N 3.13Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 2.98Å; E281-L284 PolarHBondContact O-N 3.18Å; E281-R285 WeakPolarHBondContact O-CB 3.4Å; E281-R285 PolarHBondContact O-N 3.15Å; E281-L325 HydrophobicContact CB-CD1 4.02Å; E281-L325 HydrophobicContact CB-CD2 3.74Å; E281-L325 HydrophobicContact CG-CD2 3.74Å; E281-K328 IonicContact OE1-NZ 2.76Å; E281-K328 PolarHBondContact OE1-NZ 2.71Å; E281-Y329 HydrophobicContact CG-CE2 3.93Å; E281-Y329 PolarHBondContact OE1-OH 2.96Å
282	K	98.4	Very high	96.8	Very high	120 Å²	120	54.1 Å²	54.1	52%	0.522	26%	0.258	S	S	.	.	H	α-helix	trans	-57.3	-48.2	175.2	-178.2	-178.8	176.3	-177.1	0	111	Q278 S279 L280 R285 D286	Q278-K282 WeakPolarHBondContact O-CB 3.44Å; Q278-K282 PolarHBondContact O-N 3.36Å; S279-K282 PolarHBondContact O-N 3.29Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 2.9Å; K282-R285 PolarHBondContact O-N 2.89Å; K282-D286 WeakPolarHBondContact O-CB 3.49Å; K282-D286 PolarHBondContact O-N 3.49Å
283	L	98.3	Very high	96.4	Very high	28 Å²	28	57.2 Å²	57.2	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-38.3	179.8	-65.6	-177.6	0	0	0	112.8	L249 R270 I271 F272 S279 L280 E281 D286 A287	L249-L283 HydrophobicContact CD1-CB 4.35Å; L249-L283 HydrophobicContact CD2-CB 3.97Å; L249-L283 HydrophobicContact CD2-CD1 4.12Å; R270-L283 HydrophobicContact CB-CD1 4.15Å; I271-L283 WeakPolarHBondContact O-CD1 3.35Å; F272-L283 HydrophobicContact CB-CD1 3.81Å; S279-L283 PolarHBondContact O-N 3.28Å; L280-L283 PolarHBondContact O-N 2.87Å; L280-L283 VanDerWaalsContact O-N 3.15Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 2.98Å; L283-D286 PolarHBondContact O-N 2.86Å; L283-A287 VanDerWaalsContact O-CB 3.25Å; L283-A287 WeakPolarHBondContact O-CB 3.47Å; L283-A287 PolarHBondContact O-N 3.2Å
284	L	98.5	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-48.2	174.7	-77.5	167.5	0	0	0	111.2	L249 L280 E281 D286 A287 V288 I302 I304 L325 Y329 A331	L249-L284 HydrophobicContact CD1-CD2 3.46Å; L249-L284 VanDerWaalsContact CD1-CD2 3.46Å; L249-L284 HydrophobicContact CD1-CG 3.59Å; L280-L284 HydrophobicContact CD1-CD1 4.11Å; L280-L284 HydrophobicContact CD1-CG 4.23Å; L280-L284 HydrophobicContact CG-CD1 3.94Å; L280-L284 WeakPolarHBondContact O-CG 3.33Å; L280-L284 PolarHBondContact O-N 3.48Å; E281-L284 PolarHBondContact O-N 3.18Å; L284-D286 PolarHBondContact O-N 2.84Å; L284-A287 WeakPolarHBondContact O-CB 3.48Å; L284-A287 PolarHBondContact O-N 3.06Å; L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 3.32Å; L284-I302 HydrophobicContact CD2-CG2 3.93Å; L284-I304 HydrophobicContact CD1-CD1 4.26Å; L284-I304 HydrophobicContact CD2-CD1 4.43Å; L284-L325 HydrophobicContact CD1-CB 3.87Å; L284-Y329 HydrophobicContact CB-CD1 4.11Å; L284-Y329 HydrophobicContact CB-CD2 3.82Å; L284-Y329 HydrophobicContact CB-CE1 4.47Å; L284-Y329 HydrophobicContact CB-CE2 4.22Å; L284-Y329 HydrophobicContact CB-CG 3.77Å; L284-Y329 HydrophobicContact CD1-CD2 3.84Å; L284-Y329 HydrophobicContact CD1-CG 4.34Å; L284-Y329 HydrophobicContact CG-CD2 4.38Å; L284-Y329 HydrophobicContact CG-CG 4.46Å; L284-A331 HydrophobicContact CD2-CB 4.03Å
285	R	98.1	Very high	95.8	Very high	117 Å²	117	64.8 Å²	64.8	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-48.5	176.3	179.8	177.2	59.6	-155.5	-6.7	111.2	E281 K282 A287 V288 I289 Y329	E281-R285 WeakPolarHBondContact O-CB 3.4Å; E281-R285 PolarHBondContact O-N 3.15Å; K282-R285 PolarHBondContact O-N 2.89Å; R285-A287 VanDerWaalsContact C-N 3.29Å; R285-A287 PolarHBondContact O-N 3.2Å; R285-V288 PolarHBondContact O-N 2.87Å; R285-I289 HydrophobicContact CG-CD1 3.59Å; R285-I289 HydrophobicContact CG-CG1 4.37Å; R285-I289 VanDerWaalsContact O-CG1 3.3Å; R285-I289 WeakPolarHBondContact O-CG1 3.43Å; R285-I289 PolarHBondContact O-N 3.33Å; R285-Y329 HydrophobicContact CB-CE1 4.06Å
286	D	97.4	Very high	95.8	Very high	37 Å²	37	72.3 Å²	72.3	20%	0.198	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-38.1	178.8	-69.9	-10.7	0	0	0	111.6	K282 L283 L284 Y290	K282-D286 WeakPolarHBondContact O-CB 3.49Å; K282-D286 PolarHBondContact O-N 3.49Å; L283-D286 PolarHBondContact O-N 2.86Å; L284-D286 PolarHBondContact O-N 2.84Å; D286-Y290 HydrophobicContact CB-CD2 4.02Å; D286-Y290 HydrophobicContact CB-CE2 4.28Å; D286-Y290 WeakPolarHBondContact O-CB 3.31Å; D286-Y290 VanDerWaalsContact O-CD2 3.26Å; D286-Y290 WeakPolarHBondContact O-CD2 3.34Å; D286-Y290 PolarHBondContact O-N 2.95Å
287	A	97.1	Very high	95.8	Very high	1 Å²	1	78.4 Å²	78.4	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-40.8	177.3	0	0	0	0	0	112.4	L247 L283 L284 R285 G291 W299 I302	L247-A287 HydrophobicContact CD2-CB 3.31Å; L283-A287 VanDerWaalsContact O-CB 3.25Å; L283-A287 WeakPolarHBondContact O-CB 3.47Å; L283-A287 PolarHBondContact O-N 3.2Å; L284-A287 WeakPolarHBondContact O-CB 3.48Å; L284-A287 PolarHBondContact O-N 3.06Å; R285-A287 VanDerWaalsContact C-N 3.29Å; R285-A287 PolarHBondContact O-N 3.2Å; A287-G291 WeakPolarHBondContact O-CA 3.47Å; A287-G291 PolarHBondContact O-N 2.9Å; A287-G291 VanDerWaalsContact O-N 3.08Å; A287-W299 PolarHBondContact O-NE1 3.13Å; A287-W299 VanDerWaalsContact O-NE1 3.12Å; A287-I302 HydrophobicContact CB-CD1 4Å
288	V	96.3	Very high	95.8	Very high	87 Å²	87	81.2 Å²	81.2	53%	0.527	38%	0.383	S	S	.	.	H	α-helix	trans	-72.4	-42	178.2	173.1	0	0	0	0	111.7	L284 R285 I302 Y329	L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 3.32Å; R285-V288 PolarHBondContact O-N 2.87Å; V288-I302 HydrophobicContact CG2-CD1 4.4Å; V288-Y329 HydrophobicContact CG2-CD1 4.07Å
289	I	96.3	Very high	95.9	Very high	109 Å²	109	76.4 Å²	76.4	56%	0.559	36%	0.359	S	S	*	.	H	α-helix	trans	-70.3	-48.3	-178.5	-67.1	172.1	0	0	0	111.5	R285	R285-I289 HydrophobicContact CG-CD1 3.59Å; R285-I289 HydrophobicContact CG-CG1 4.37Å; R285-I289 VanDerWaalsContact O-CG1 3.3Å; R285-I289 WeakPolarHBondContact O-CG1 3.43Å; R285-I289 PolarHBondContact O-N 3.33Å
290	Y	96.1	Very high	95.8	Very high	123 Å²	123	82.6 Å²	82.6	48%	0.482	38%	0.382	S	S	.	.	H	α-helix	trans	-97.2	-15.8	-169.1	-60.9	-61.1	0	0	0	114.3	D286 R296	D286-Y290 HydrophobicContact CB-CD2 4.02Å; D286-Y290 HydrophobicContact CB-CE2 4.28Å; D286-Y290 WeakPolarHBondContact O-CB 3.31Å; D286-Y290 VanDerWaalsContact O-CD2 3.26Å; D286-Y290 WeakPolarHBondContact O-CD2 3.34Å; D286-Y290 PolarHBondContact O-N 2.95Å; Y290-R296 VanDerWaalsContact O-CD 3.29Å; Y290-R296 WeakPolarHBondContact O-CD 3.45Å
291	G	94.8	Very high	95.8	Very high	6 Å²	6	86.3 Å²	86.3	6%	0.062	40%	0.399	C	S	.	.			trans	63.9	-156.1	-176.7	0	0	0	0	0	113.8	A287 R297 W299	A287-G291 WeakPolarHBondContact O-CA 3.47Å; A287-G291 PolarHBondContact O-N 2.9Å; A287-G291 VanDerWaalsContact O-N 3.08Å; G291-R297 CarbonylContact C-O 3.46Å; G291-R297 WeakPolarHBondContact CA-O 3.23Å; G291-W299 PolarHBondContact O-NE1 2.8Å
292	Q	95	Very high	95.8	Very high	36 Å²	36	84.4 Å²	84.4	17%	0.168	39%	0.39	C	S	.	.	S	Bend	trans	-65.4	141.9	179.9	-71.6	179.2	49.8	0	0	111.7	R294 T295 R296 R297 A298 W299	Q292-R294 PolarHBondContact O-N 2.82Å; Q292-T295 WeakPolarHBondContact CB-OG1 3.39Å; Q292-R296 WeakPolarHBondContact O-CA 3.34Å; Q292-R296 PolarHBondContact O-N 2.81Å; Q292-R297 WeakPolarHBondContact CB-O 3.42Å; Q292-R297 WeakPolarHBondContact CG-O 3.12Å; Q292-R297 PolarHBondContact N-O 3.23Å; Q292-A298 PolarHBondContact NE2-O 3.26Å; Q292-W299 HydrophobicContact CG-CD2 3.8Å; Q292-W299 HydrophobicContact CG-CE3 3.56Å; Q292-W299 HydrophobicContact CG-CG 4.45Å; Q292-W299 HydrophobicContact CG-CH2 4.23Å; Q292-W299 HydrophobicContact CG-CZ2 4.43Å; Q292-W299 HydrophobicContact CG-CZ3 3.79Å
293	P	90.1	Very high	95.8	Very high	67 Å²	67	79 Å²	79	44%	0.435	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	140.9	172.7	-24.2	32.5	0	0	0	111.3	T268 T295 W299	T268-P293 HydrophobicContact CG2-CG 4.46Å; P293-T295 PolarHBondContact O-N 2.85Å; P293-W299 HydrophobicContact CG-CH2 4.28Å
294	R	88.6	Confident	95.9	Very high	251 Å²	251	77.6 Å²	77.6	95%	0.947	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	-49.8	-179	-53.6	176.9	175.6	147.7	-1.7	115	Q292	Q292-R294 PolarHBondContact O-N 2.82Å
295	T	91.6	Very high	95.9	Very high	75 Å²	75	77.6 Å²	77.6	46%	0.46	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.8	-174.4	67.3	0	0	0	0	113.7	Q292 P293 R297	Q292-T295 WeakPolarHBondContact CB-OG1 3.39Å; P293-T295 PolarHBondContact O-N 2.85Å; T295-R297 PolarHBondContact O-N 3.42Å; T295-R297 PolarHBondContact OG1-N 3Å
296	R	93.2	Very high	95.9	Very high	170 Å²	170	72 Å²	72	64%	0.642	34%	0.338	S	S	*	.			trans	56.6	11.5	-174.6	-54.6	-63.5	-170	154.8	3.8	114.4	Y290 Q292	Y290-R296 VanDerWaalsContact O-CD 3.29Å; Y290-R296 WeakPolarHBondContact O-CD 3.45Å; Q292-R296 WeakPolarHBondContact O-CA 3.34Å; Q292-R296 PolarHBondContact O-N 2.81Å
297	R	94.8	Very high	95.9	Very high	182 Å²	182	70.5 Å²	70.5	69%	0.687	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-71.6	151.7	176.8	-68.6	-177.6	179.1	-178.1	-0.2	110.3	G291 Q292 T295	G291-R297 CarbonylContact C-O 3.46Å; G291-R297 WeakPolarHBondContact CA-O 3.23Å; Q292-R297 WeakPolarHBondContact CB-O 3.42Å; Q292-R297 WeakPolarHBondContact CG-O 3.12Å; Q292-R297 PolarHBondContact N-O 3.23Å; T295-R297 PolarHBondContact O-N 3.42Å; T295-R297 PolarHBondContact OG1-N 3Å
298	A	96.3	Very high	95.9	Very high	83 Å²	83	70.4 Å²	70.4	69%	0.686	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-56.4	146.9	171.7	0	0	0	0	0	111.4	Q292	Q292-A298 PolarHBondContact NE2-O 3.26Å
299	W	97.8	Very high	96	Very high	27 Å²	27	66.3 Å²	66.3	10%	0.102	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.9	139.4	173.6	-64.7	99.9	0	0	0	110.4	C246 L247 T268 A287 G291 Q292 P293 I302	C246-W299 VanDerWaalsContact O-CZ3 3.27Å; C246-W299 WeakPolarHBondContact O-CZ3 3.42Å; L247-W299 HydrophobicContact CB-CD2 3.64Å; L247-W299 HydrophobicContact CB-CE3 3.59Å; L247-W299 HydrophobicContact CB-CG 4.21Å; L247-W299 HydrophobicContact CB-CH2 4.09Å; L247-W299 HydrophobicContact CB-CZ2 4.15Å; L247-W299 HydrophobicContact CB-CZ3 3.83Å; L247-W299 HydrophobicContact CD1-CH2 4.19Å; L247-W299 HydrophobicContact CD1-CZ2 4.23Å; L247-W299 HydrophobicContact CD2-CD2 4.44Å; L247-W299 HydrophobicContact CD2-CZ2 4.2Å; L247-W299 HydrophobicContact CG-CZ2 4.45Å; T268-W299 HydrophobicContact CG2-CH2 3.83Å; T268-W299 HydrophobicContact CG2-CZ3 4.49Å; A287-W299 PolarHBondContact O-NE1 3.13Å; A287-W299 VanDerWaalsContact O-NE1 3.12Å; G291-W299 PolarHBondContact O-NE1 2.8Å; Q292-W299 HydrophobicContact CG-CD2 3.8Å; Q292-W299 HydrophobicContact CG-CE3 3.56Å; Q292-W299 HydrophobicContact CG-CG 4.45Å; Q292-W299 HydrophobicContact CG-CH2 4.23Å; Q292-W299 HydrophobicContact CG-CZ2 4.43Å; Q292-W299 HydrophobicContact CG-CZ3 3.79Å; P293-W299 HydrophobicContact CG-CH2 4.28Å; W299-I302 HydrophobicContact CB-CD1 4.37Å; W299-I302 HydrophobicContact CB-CG1 3.84Å; W299-I302 HydrophobicContact CG-CD1 4.42Å; W299-I302 HydrophobicContact CG-CG1 4.13Å
300	K	97.4	Very high	96	Very high	159 Å²	159	61.1 Å²	61.1	69%	0.691	28%	0.278	S	S	*	.	S	Bend	trans	-66.5	-42.6	174.5	-68.5	-177.3	177.4	179.4	0	111.5	G245	G245-K300 PolarHBondContact O-N 2.96Å
301	K	97.9	Very high	95.7	Very high	79 Å²	79	55.8 Å²	55.8	34%	0.343	26%	0.259	S	S	.	.			trans	-147.7	146.3	174.1	-62.4	-174.4	-173.8	174.4	0	109	L241 V242 C246 L247 Y332	L241-K301 PolarHBondContact O-NZ 2.88Å; V242-K301 HydrophobicContact CG1-CB 4.45Å; V242-K301 HydrophobicContact CG1-CD 4.44Å; C246-K301 CarbonylContact C-O 3.45Å; C246-K301 VanDerWaalsContact CA-O 3.32Å; C246-K301 WeakPolarHBondContact CA-O 3.03Å; C246-K301 HydrophobicContact CB-CB 4.35Å; L247-K301 PolarHBondContact N-O 3.41Å; K301-Y332 HydrophobicContact CB-CD2 4.25Å; K301-Y332 HydrophobicContact CB-CE2 4.23Å; K301-Y332 HydrophobicContact CD-CD2 4.49Å; K301-Y332 HydrophobicContact CD-CE2 4.18Å; K301-Y332 HydrophobicContact CG-CD2 4.43Å; K301-Y332 HydrophobicContact CG-CE2 3.99Å
302	I	98.6	Very high	95.5	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.6	166.6	-55.9	176.7	0	0	0	106.2	L247 L249 L284 A287 V288 W299 A331 Y332	L247-I302 HydrophobicContact CB-CG1 4.3Å; L247-I302 HydrophobicContact CB-CG2 4.43Å; L247-I302 HydrophobicContact CD2-CG1 4.43Å; L247-I302 HydrophobicContact CD2-CG2 4.14Å; L247-I302 HydrophobicContact CG-CG2 4.35Å; L247-I302 CarbonylContact O-C 3.6Å; L247-I302 WeakPolarHBondContact O-CA 3.35Å; L249-I302 HydrophobicContact CD1-CG2 4.1Å; L249-I302 HydrophobicContact CG-CG2 4.27Å; L284-I302 HydrophobicContact CD2-CG2 3.93Å; A287-I302 HydrophobicContact CB-CD1 4Å; V288-I302 HydrophobicContact CG2-CD1 4.4Å; W299-I302 HydrophobicContact CB-CD1 4.37Å; W299-I302 HydrophobicContact CB-CG1 3.84Å; W299-I302 HydrophobicContact CG-CD1 4.42Å; W299-I302 HydrophobicContact CG-CG1 4.13Å; I302-A331 HydrophobicContact CB-CB 4.19Å; I302-A331 HydrophobicContact CG2-CB 4.16Å; I302-Y332 PolarHBondContact O-N 3.46Å
303	L	98.8	Very high	95.3	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	-178.3	-176.8	66.5	0	0	0	109.6	V242 L247 I248 L249 L305	V242-L303 HydrophobicContact CG1-CB 4.02Å; V242-L303 HydrophobicContact CG1-CD2 3.89Å; V242-L303 HydrophobicContact CG2-CD2 4.13Å; L247-L303 PolarHBondContact O-N 3.13Å; I248-L303 CarbonylContact C-O 3.53Å; I248-L303 WeakPolarHBondContact CA-O 3.31Å; L249-L303 PolarHBondContact N-O 2.94Å; L303-L305 HydrophobicContact CD2-CD2 3.65Å; L303-L305 HydrophobicContact CG-CD2 3.83Å
304	I	98.8	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126	173.6	-56.5	167.9	0	0	0	107.5	L249 L280 L284 V306 I322 K326 A331 Y332 L333 Y334	L249-I304 WeakPolarHBondContact O-CA 3.44Å; L280-I304 HydrophobicContact CD1-CD1 4.47Å; L280-I304 HydrophobicContact CD1-CG1 4.35Å; L280-I304 HydrophobicContact CD1-CG2 4.33Å; L280-I304 HydrophobicContact CD2-CD1 4.42Å; L280-I304 HydrophobicContact CD2-CG2 4.27Å; L284-I304 HydrophobicContact CD1-CD1 4.26Å; L284-I304 HydrophobicContact CD2-CD1 4.43Å; I304-V306 HydrophobicContact CG2-CG1 4.21Å; I304-I322 HydrophobicContact CD1-CG2 4.41Å; I304-I322 HydrophobicContact CG2-CG2 4.14Å; I304-K326 HydrophobicContact CD1-CB 4.49Å; I304-A331 HydrophobicContact CD1-CB 3.98Å; I304-A331 HydrophobicContact CG1-CB 4.26Å; I304-Y332 PolarHBondContact N-O 3.39Å; I304-L333 HydrophobicContact CB-CD1 4.03Å; I304-L333 HydrophobicContact CG2-CD1 3.97Å; I304-Y334 PolarHBondContact O-N 2.89Å
305	L	98.6	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	176.6	-58.6	-175.8	0	0	0	109.8	I238 I248 L249 D251 N254 A262 L303 Y334	I238-L305 HydrophobicContact CD1-CD1 4.3Å; I248-L305 HydrophobicContact CG2-CD1 3.46Å; I248-L305 VanDerWaalsContact CG2-CD1 3.46Å; I248-L305 HydrophobicContact CG2-CG 3.77Å; L249-L305 PolarHBondContact O-N 3.23Å; D251-L305 PolarHBondContact N-O 3.19Å; N254-L305 PolarHBondContact ND2-O 2.7Å; A262-L305 HydrophobicContact CB-CD1 4.19Å; L303-L305 HydrophobicContact CD2-CD2 3.65Å; L303-L305 HydrophobicContact CG-CD2 3.83Å; L305-Y334 VanDerWaalsContact CD2-CB 3.46Å; L305-Y334 HydrophobicContact CD2-CD1 4.17Å; L305-Y334 HydrophobicContact CD2-CD2 4.36Å; L305-Y334 HydrophobicContact CD2-CG 3.77Å
306	V	98.6	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161	176.9	-67.3	0	0	0	0	111.4	D251 F272 I304 V317 I322 L333 Y334 I335 D336	D251-V306 HydrophobicContact CB-CG1 4.47Å; F272-V306 HydrophobicContact CZ-CG1 3.83Å; I304-V306 HydrophobicContact CG2-CG1 4.21Å; V306-V317 HydrophobicContact CB-CG2 4.16Å; V306-V317 HydrophobicContact CG1-CG2 4.42Å; V306-V317 HydrophobicContact CG2-CG2 4.14Å; V306-I322 HydrophobicContact CG1-CD1 3.83Å; V306-L333 HydrophobicContact CG2-CD1 3.88Å; V306-Y334 PolarHBondContact N-O 3.25Å; V306-I335 HydrophobicContact CG2-CG1 4.01Å; V306-I335 WeakPolarHBondContact O-CA 3.43Å; V306-D336 PolarHBondContact O-N 3.45Å
307	E	98.2	Very high	96.2	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	150.5	167.7	-69.1	179.8	-130.1	0	0	110.4	N254 H255 L258 Y310 V317 D336	N254-E307 WeakPolarHBondContact CA-OE1 3.29Å; H255-E307 WeakPolarHBondContact CA-OE1 3.18Å; H255-E307 VanDerWaalsContact CB-OE1 3.28Å; H255-E307 WeakPolarHBondContact CB-OE1 3.25Å; H255-E307 PolarHBondContact N-OE1 2.87Å; L258-E307 HydrophobicContact CD1-CG 3.99Å; E307-Y310 HydrophobicContact CB-CD1 4.01Å; E307-Y310 HydrophobicContact CB-CD2 4.45Å; E307-Y310 HydrophobicContact CB-CE1 4.08Å; E307-Y310 HydrophobicContact CB-CE2 4.49Å; E307-Y310 HydrophobicContact CB-CG 4.23Å; E307-Y310 HydrophobicContact CG-CD1 4.47Å; E307-V317 VanDerWaalsContact O-CB 3.24Å; E307-V317 WeakPolarHBondContact O-CB 3.46Å; E307-V317 WeakPolarHBondContact O-CG1 3.32Å; E307-D336 CarbonylContact C-O 3.52Å; E307-D336 WeakPolarHBondContact CA-O 3.3Å; E307-D336 HydrophobicContact CG-CB 4.13Å
308	G	97.1	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-69.3	-58	172.8	0	0	0	0	0	111.5	I316 V317 D336 V351	G308-I316 WeakPolarHBondContact O-CA 3.17Å; G308-V317 PolarHBondContact O-N 3.44Å; G308-D336 PolarHBondContact N-O 2.79Å; G308-V351 WeakPolarHBondContact O-CG1 3.48Å
309	V	97.3	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-117.8	125.1	170.7	168.8	0	0	0	0	108.1	S315 I316 H339 V344	V309-S315 WeakPolarHBondContact CA-O 3.44Å; V309-I316 HydrophobicContact CG2-CG1 3.92Å; V309-H339 HydrophobicContact CB-CB 3.69Å; V309-H339 HydrophobicContact CG1-CB 3.81Å; V309-H339 WeakPolarHBondContact O-CB 3.41Å; V309-V344 HydrophobicContact CG2-CG1 4.16Å
310	Y	95.8	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.			trans	-80.6	127.8	-178.3	-67.1	-101	0	0	0	111.2	D251 L253 H274 E307 M312 G314 S315 V317	D251-Y310 HydrophobicContact CB-CE1 4.2Å; D251-Y310 WeakPolarHBondContact OD1-CE1 3.1Å; D251-Y310 PolarHBondContact OD2-OH 2.87Å; L253-Y310 HydrophobicContact CB-CD1 4.18Å; L253-Y310 HydrophobicContact CB-CE1 4.5Å; H274-Y310 AromaticContact CE1-CD1 3.44Å; H274-Y310 VanDerWaalsContact CE1-CD1 3.44Å; H274-Y310 WeakPolarHBondContact CE1-CD1 3.43Å; H274-Y310 AromaticContact CE1-CD2 3.49Å; H274-Y310 VanDerWaalsContact CE1-CD2 3.49Å; H274-Y310 WeakPolarHBondContact CE1-CD2 3.3Å; H274-Y310 AromaticContact CE1-CE1 3.44Å; H274-Y310 VanDerWaalsContact CE1-CE1 3.44Å; H274-Y310 WeakPolarHBondContact CE1-CE1 3.22Å; H274-Y310 AromaticContact CE1-CE2 3.52Å; H274-Y310 AromaticContact CE1-CG 3.44Å; H274-Y310 VanDerWaalsContact CE1-CG 3.44Å; H274-Y310 AromaticContact CE1-CZ 3.48Å; H274-Y310 VanDerWaalsContact CE1-CZ 3.48Å; H274-Y310 AromaticContact ND1-CD1 3.93Å; H274-Y310 AromaticContact ND1-CE1 3.61Å; H274-Y310 AromaticContact ND1-CZ 3.79Å; E307-Y310 HydrophobicContact CB-CD1 4.01Å; E307-Y310 HydrophobicContact CB-CD2 4.45Å; E307-Y310 HydrophobicContact CB-CE1 4.08Å; E307-Y310 HydrophobicContact CB-CE2 4.49Å; E307-Y310 HydrophobicContact CB-CG 4.23Å; E307-Y310 HydrophobicContact CG-CD1 4.47Å; Y310-M312 PolarHBondContact O-N 3.43Å; Y310-G314 WeakPolarHBondContact O-CA 3.21Å; Y310-G314 PolarHBondContact O-N 2.82Å; Y310-S315 WeakPolarHBondContact CB-OG 3.35Å; Y310-S315 WeakPolarHBondContact CD2-OG 3.32Å; Y310-S315 PolarHBondContact N-O 2.85Å; Y310-V317 HydrophobicContact CE2-CB 4.19Å
311	S	90.9	Very high	96.2	Very high	12 Å²	12	13.5 Å²	13.5	8%	0.084	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.8	-165.5	63.2	0	0	0	0	116	H339 V460 R501	S311-H339 VanDerWaalsContact CB-CD2 3.44Å; S311-H339 WeakPolarHBondContact CB-CD2 3.31Å; S311-H339 WeakPolarHBondContact CB-NE2 3.33Å; S311-V460 WeakPolarHBondContact O-CG1 3.15Å; S311-R501 VanDerWaalsContact O-CD 3.23Å; S311-R501 WeakPolarHBondContact O-CD 3.47Å
312	M	90.9	Very high	96.2	Very high	34 Å²	34	9.9 Å²	9.9	17%	0.167	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-32.3	-179.3	-67	-49	101.1	0	0	113.3	Y310 P462 V488 R499 R501	Y310-M312 PolarHBondContact O-N 3.43Å; M312-P462 WeakPolarHBondContact O-CB 3.46Å; M312-P462 WeakPolarHBondContact O-CG 3.28Å; M312-V488 HydrophobicContact SD-CG1 4.44Å; M312-R499 PolarHBondContact O-NH1 2.75Å; M312-R501 PolarHBondContact SD-NH1 3.42Å
313	E	90.6	Very high	96.2	Very high	17 Å²	17	9.4 Å²	9.4	8%	0.079	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-26.2	-173.7	-70.4	57	-121	0	0	111.8	F55 L253 S315 Y453 G454 P462 R499	F55-E313 HydrophobicContact CE1-CB 4.22Å; F55-E313 HydrophobicContact CE1-CG 4.37Å; F55-E313 HydrophobicContact CZ-CB 4.47Å; L253-E313 VanDerWaalsContact CD1-CD 3.45Å; L253-E313 HydrophobicContact CD1-CG 3.68Å; E313-S315 PolarHBondContact O-N 2.81Å; E313-Y453 CarbonylContact O-C 3.53Å; E313-G454 WeakPolarHBondContact O-CA 3.38Å; E313-G454 PolarHBondContact O-N 3.09Å; E313-P462 WeakPolarHBondContact O-CG 3.38Å; E313-R499 IonicContact OE1-CZ 3.72Å; E313-R499 IonicContact OE1-NH1 3.27Å; E313-R499 PolarHBondContact OE1-NH1 3.4Å; E313-R499 IonicContact OE1-NH2 3.59Å
314	G	93.4	Very high	96.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.			trans	65.5	17.9	-171.1	0	0	0	0	0	113.2	Y310 G454 N455 S458	Y310-G314 WeakPolarHBondContact O-CA 3.21Å; Y310-G314 PolarHBondContact O-N 2.82Å; G314-G454 WeakPolarHBondContact O-CA 3.28Å; G314-N455 PolarHBondContact O-N 3.15Å; G314-S458 WeakPolarHBondContact CA-OG 3.31Å; G314-S458 WeakPolarHBondContact O-CB 3.34Å; G314-S458 PolarHBondContact O-OG 3.47Å
315	S	94.8	Very high	96.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.			trans	-71.4	155	171.1	42.1	0	0	0	0	111.3	E53 H274 V309 Y310 E313	E53-S315 WeakPolarHBondContact OE1-CA 3.36Å; E53-S315 WeakPolarHBondContact OE1-CB 3.39Å; H274-S315 PolarHBondContact CE1-OG 3.38Å; H274-S315 PolarHBondContact NE2-OG 2.92Å; V309-S315 WeakPolarHBondContact CA-O 3.44Å; Y310-S315 WeakPolarHBondContact CB-OG 3.35Å; Y310-S315 WeakPolarHBondContact CD2-OG 3.32Å; Y310-S315 PolarHBondContact N-O 2.85Å; E313-S315 PolarHBondContact O-N 2.81Å
316	I	96.5	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-111.4	131.7	172.7	-65.8	179.7	0	0	0	107.9	E53 N275 G308 V309 V351 F354 F355 N455 N457	E53-I316 PolarHBondContact OE1-N 2.63Å; N275-I316 PolarHBondContact ND2-O 3.11Å; N275-I316 VanDerWaalsContact ND2-O 3.1Å; G308-I316 WeakPolarHBondContact O-CA 3.17Å; V309-I316 HydrophobicContact CG2-CG1 3.92Å; I316-V351 HydrophobicContact CG2-CG1 3.94Å; I316-F354 HydrophobicContact CD1-CE1 4.19Å; I316-F354 HydrophobicContact CD1-CZ 4.17Å; I316-F354 HydrophobicContact CG2-CD1 4.34Å; I316-F354 HydrophobicContact CG2-CE1 4.26Å; I316-F355 HydrophobicContact CG2-CE2 3.86Å; I316-F355 HydrophobicContact CG2-CZ 3.83Å; I316-N455 HydrophobicContact CB-CB 4.32Å; I316-N455 HydrophobicContact CD1-CB 3.86Å; I316-N455 HydrophobicContact CG1-CB 3.8Å; I316-N457 HydrophobicContact CD1-CB 4.2Å
317	V	96.4	Very high	96.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.			trans	-56.7	141.2	179.6	60.4	0	0	0	0	112.8	V306 E307 G308 Y310 L319 I322 V351 F355	V306-V317 HydrophobicContact CB-CG2 4.16Å; V306-V317 HydrophobicContact CG1-CG2 4.42Å; V306-V317 HydrophobicContact CG2-CG2 4.14Å; E307-V317 VanDerWaalsContact O-CB 3.24Å; E307-V317 WeakPolarHBondContact O-CB 3.46Å; E307-V317 WeakPolarHBondContact O-CG1 3.32Å; G308-V317 PolarHBondContact O-N 3.44Å; Y310-V317 HydrophobicContact CE2-CB 4.19Å; V317-L319 HydrophobicContact CG1-CB 4.09Å; V317-L319 PolarHBondContact O-N 2.95Å; V317-I322 HydrophobicContact CG2-CD1 3.5Å; V317-I322 VanDerWaalsContact CG2-CD1 3.5Å; V317-V351 HydrophobicContact CG1-CG2 4.04Å; V317-F355 VanDerWaalsContact O-CE2 3.27Å; V317-F355 WeakPolarHBondContact O-CE2 3.45Å; V317-F355 WeakPolarHBondContact O-CZ 3.36Å
318	H	95.8	Very high	96.1	Very high	41 Å²	41	24.3 Å²	24.3	19%	0.19	12%	0.121	C	C	.	.			trans	-72.6	58.4	170.4	-65.3	166.7	0	0	0	111.8	I51 N275 T277 Q321 I322	I51-H318 WeakPolarHBondContact CD1-CD2 3.28Å; N275-H318 PolarHBondContact ND2-CD2 2.91Å; N275-H318 VanDerWaalsContact ND2-CD2 3.3Å; N275-H318 PolarHBondContact ND2-NE2 3.33Å; N275-H318 PolarHBondContact O-ND1 2.78Å; N275-H318 WeakPolarHBondContact OD1-CB 3.42Å; N275-H318 PolarHBondContact OD1-N 3.1Å; N275-H318 PolarHBondContact OD1-ND1 2.67Å; T277-H318 HydrophobicContact CG2-CB 4.02Å; H318-Q321 PolarHBondContact O-N 3.35Å; H318-Q321 PolarHBondContact O-OE1 3.38Å; H318-I322 WeakPolarHBondContact O-CG1 3.23Å; H318-I322 PolarHBondContact O-N 3.1Å; H318-I322 VanDerWaalsContact O-N 3.1Å
319	L	96.8	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-44.8	-170.1	-177.7	56.2	0	0	0	114.1	V317 Q321 I322 I323 L333 I335 V351 T352 F355 L357	V317-L319 HydrophobicContact CG1-CB 4.09Å; V317-L319 PolarHBondContact O-N 2.95Å; L319-Q321 VanDerWaalsContact C-N 3.28Å; L319-Q321 PolarHBondContact O-N 3.33Å; L319-I322 PolarHBondContact O-N 3.16Å; L319-I323 HydrophobicContact CD1-CD1 3.79Å; L319-I323 HydrophobicContact CD1-CG1 3.85Å; L319-I323 HydrophobicContact CD2-CD1 4.42Å; L319-I323 HydrophobicContact CG-CD1 3.78Å; L319-I323 HydrophobicContact CG-CG1 4.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.29Å; L319-I323 PolarHBondContact O-N 3.06Å; L319-L333 HydrophobicContact CD1-CD2 3.82Å; L319-I335 HydrophobicContact CD1-CD1 3.4Å; L319-I335 VanDerWaalsContact CD1-CD1 3.4Å; L319-I335 HydrophobicContact CD2-CD1 4Å; L319-I335 HydrophobicContact CG-CD1 4.36Å; L319-V351 HydrophobicContact CD2-CG2 3.94Å; L319-T352 HydrophobicContact CD2-CG2 4.1Å; L319-F355 HydrophobicContact CB-CD2 3.84Å; L319-F355 HydrophobicContact CB-CE2 3.93Å; L319-F355 HydrophobicContact CD2-CD2 4.38Å; L319-L357 HydrophobicContact CB-CD1 4.27Å; L319-L357 HydrophobicContact CD2-CD1 3.74Å; L319-L357 HydrophobicContact CG-CD1 3.68Å
320	P	96.9	Very high	96.2	Very high	11 Å²	11	35 Å²	35	7%	0.071	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-41.6	180	-23.4	32.9	0	0	0	112.9	Y47 A324 F355 L357	Y47-P320 HydrophobicContact CD1-CB 3.7Å; Y47-P320 HydrophobicContact CE1-CB 4.01Å; P320-A324 PolarHBondContact O-N 3.34Å; P320-A324 VanDerWaalsContact O-N 3.07Å; P320-F355 HydrophobicContact CG-CB 4.24Å; P320-F355 HydrophobicContact CG-CD1 3.91Å; P320-F355 HydrophobicContact CG-CD2 4.5Å; P320-F355 HydrophobicContact CG-CE1 4.42Å; P320-F355 HydrophobicContact CG-CG 3.97Å; P320-L357 HydrophobicContact CG-CD1 4.15Å
321	Q	97.1	Very high	96.3	Very high	65 Å²	65	35.3 Å²	35.3	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-70.1	-40	178.6	-63.7	82.5	-3.6	0	0	111.5	T277 H318 L319 A324 L325	T277-Q321 HydrophobicContact CG2-CB 3.62Å; T277-Q321 HydrophobicContact CG2-CG 4.39Å; H318-Q321 PolarHBondContact O-N 3.35Å; H318-Q321 PolarHBondContact O-OE1 3.38Å; L319-Q321 VanDerWaalsContact C-N 3.28Å; L319-Q321 PolarHBondContact O-N 3.33Å; Q321-A324 WeakPolarHBondContact O-CB 3.29Å; Q321-A324 PolarHBondContact O-N 3.22Å; Q321-L325 WeakPolarHBondContact O-CG 3.46Å; Q321-L325 PolarHBondContact O-N 3.09Å
322	I	98.2	Very high	96.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-41	176.2	-66.6	-177	0	0	0	111.1	T277 L280 I304 V306 V317 H318 L319 A324 L325 K326 L333	T277-I322 HydrophobicContact CG2-CG1 4.48Å; L280-I322 HydrophobicContact CD2-CD1 4.38Å; L280-I322 HydrophobicContact CD2-CG1 3.95Å; L280-I322 HydrophobicContact CD2-CG2 4.32Å; I304-I322 HydrophobicContact CD1-CG2 4.41Å; I304-I322 HydrophobicContact CG2-CG2 4.14Å; V306-I322 HydrophobicContact CG1-CD1 3.83Å; V317-I322 HydrophobicContact CG2-CD1 3.5Å; V317-I322 VanDerWaalsContact CG2-CD1 3.5Å; H318-I322 WeakPolarHBondContact O-CG1 3.23Å; H318-I322 PolarHBondContact O-N 3.1Å; H318-I322 VanDerWaalsContact O-N 3.1Å; L319-I322 PolarHBondContact O-N 3.16Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.36Å; I322-L325 PolarHBondContact O-N 3.34Å; I322-K326 WeakPolarHBondContact O-CB 3.28Å; I322-K326 PolarHBondContact O-N 2.8Å; I322-L333 HydrophobicContact CG2-CD1 3.72Å; I322-L333 HydrophobicContact CG2-CD2 4.18Å
323	I	98.4	Very high	97	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-40.8	174.9	-70.8	169.8	0	0	0	111	L319 L325 K326 K327 L333 L357 E361	L319-I323 HydrophobicContact CD1-CD1 3.79Å; L319-I323 HydrophobicContact CD1-CG1 3.85Å; L319-I323 HydrophobicContact CD2-CD1 4.42Å; L319-I323 HydrophobicContact CG-CD1 3.78Å; L319-I323 HydrophobicContact CG-CG1 4.3Å; L319-I323 WeakPolarHBondContact O-CG1 3.29Å; L319-I323 PolarHBondContact O-N 3.06Å; I323-L325 VanDerWaalsContact C-N 3.32Å; I323-L325 PolarHBondContact O-N 2.89Å; I323-K326 WeakPolarHBondContact O-CB 3.46Å; I323-K326 PolarHBondContact O-N 2.82Å; I323-K327 HydrophobicContact CG2-CD 4.34Å; I323-K327 WeakPolarHBondContact O-CG 3.41Å; I323-K327 PolarHBondContact O-N 3.24Å; I323-L333 HydrophobicContact CG1-CD2 3.96Å; I323-L357 HydrophobicContact CD1-CD1 3.75Å; I323-E361 HydrophobicContact CD1-CB 3.96Å; I323-E361 HydrophobicContact CG2-CB 4.18Å
324	A	98.3	Very high	97.4	Very high	50 Å²	50	37 Å²	37	41%	0.413	17%	0.172	S	C	.	.	H	α-helix	trans	-59.8	-43.6	175.4	0	0	0	0	0	111.6	P320 Q321 I322 K327 K328	P320-A324 PolarHBondContact O-N 3.34Å; P320-A324 VanDerWaalsContact O-N 3.07Å; Q321-A324 WeakPolarHBondContact O-CB 3.29Å; Q321-A324 PolarHBondContact O-N 3.22Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.36Å; A324-K327 PolarHBondContact O-N 3.32Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.26Å
325	L	98.4	Very high	97.7	Very high	14 Å²	14	37 Å²	37	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-42.9	175.4	-68.2	176.5	0	0	0	112.3	L280 E281 L284 Q321 I322 I323 K327 K328 Y329	L280-L325 HydrophobicContact CB-CD1 4.43Å; L280-L325 HydrophobicContact CD2-CD1 4.02Å; L280-L325 HydrophobicContact CG-CD1 4.14Å; E281-L325 HydrophobicContact CB-CD1 4.02Å; E281-L325 HydrophobicContact CB-CD2 3.74Å; E281-L325 HydrophobicContact CG-CD2 3.74Å; L284-L325 HydrophobicContact CD1-CB 3.87Å; Q321-L325 WeakPolarHBondContact O-CG 3.46Å; Q321-L325 PolarHBondContact O-N 3.09Å; I322-L325 PolarHBondContact O-N 3.34Å; I323-L325 VanDerWaalsContact C-N 3.32Å; I323-L325 PolarHBondContact O-N 2.89Å; L325-K327 VanDerWaalsContact C-N 3.31Å; L325-K327 PolarHBondContact O-N 2.89Å; L325-K328 PolarHBondContact O-N 2.81Å; L325-Y329 HydrophobicContact CD2-CD2 4.36Å; L325-Y329 HydrophobicContact CD2-CE2 3.94Å; L325-Y329 WeakPolarHBondContact O-CD2 3.45Å; L325-Y329 PolarHBondContact O-N 3.22Å
326	K	97.9	Very high	97.8	Very high	18 Å²	18	37.3 Å²	37.3	8%	0.078	17%	0.174	C	C	.	.	H	α-helix	trans	-50.9	-52.4	173.9	176.8	-152.4	171.3	179.9	0	110.3	I304 I322 I323 K330 A331 L333 E361 D363	I304-K326 HydrophobicContact CD1-CB 4.49Å; I322-K326 WeakPolarHBondContact O-CB 3.28Å; I322-K326 PolarHBondContact O-N 2.8Å; I323-K326 WeakPolarHBondContact O-CB 3.46Å; I323-K326 PolarHBondContact O-N 2.82Å; K326-K330 WeakPolarHBondContact O-CA 3.24Å; K326-K330 PolarHBondContact O-N 3.18Å; K326-A331 WeakPolarHBondContact CE-O 3.12Å; K326-A331 WeakPolarHBondContact CG-O 3.43Å; K326-A331 PolarHBondContact O-N 3.4Å; K326-L333 HydrophobicContact CD-CB 3.96Å; K326-L333 HydrophobicContact CG-CB 4.37Å; K326-E361 PolarHBondContact NZ-O 3.47Å; K326-D363 WeakPolarHBondContact CE-OD2 3.1Å; K326-D363 IonicContact NZ-OD1 3.79Å; K326-D363 PolarHBondContact NZ-OD1 3.36Å; K326-D363 IonicContact NZ-OD2 3.63Å; K326-D363 PolarHBondContact NZ-OD2 3.43Å
327	K	98.2	Very high	97.9	Very high	108 Å²	108	37.4 Å²	37.4	47%	0.47	17%	0.174	S	C	.	.	H	α-helix	trans	-62.3	-48.2	178.8	-71.3	179.5	179	-174.4	0	112	I323 A324 L325 Y329 K330 E361	I323-K327 HydrophobicContact CG2-CD 4.34Å; I323-K327 WeakPolarHBondContact O-CG 3.41Å; I323-K327 PolarHBondContact O-N 3.24Å; A324-K327 PolarHBondContact O-N 3.32Å; L325-K327 VanDerWaalsContact C-N 3.31Å; L325-K327 PolarHBondContact O-N 2.89Å; K327-Y329 VanDerWaalsContact C-N 3.33Å; K327-Y329 PolarHBondContact O-N 3.03Å; K327-K330 PolarHBondContact O-N 2.61Å; K327-E361 WeakPolarHBondContact CE-OE1 3.48Å; K327-E361 WeakPolarHBondContact CE-OE2 3.16Å; K327-E361 IonicContact NZ-OE1 3.91Å; K327-E361 PolarHBondContact NZ-OE1 3.21Å; K327-E361 IonicContact NZ-OE2 3.86Å; K327-E361 PolarHBondContact NZ-OE2 3.33Å
328	K	98.3	Very high	97.9	Very high	132 Å²	132	37.6 Å²	37.6	57%	0.574	18%	0.176	S	C	*	.	H	α-helix	trans	-58.4	-42.3	-178.7	-178.9	176.7	175.5	-175.7	0	112.5	E281 A324 L325	E281-K328 IonicContact OE1-NZ 2.76Å; E281-K328 PolarHBondContact OE1-NZ 2.71Å; A324-K328 WeakPolarHBondContact O-CB 3.49Å; A324-K328 PolarHBondContact O-N 3.26Å; L325-K328 PolarHBondContact O-N 2.81Å
329	Y	98.1	Very high	98	Very high	37 Å²	37	35.9 Å²	35.9	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-102.4	4.6	-175	-66.3	-79.8	0	0	0	114.2	E281 L284 R285 V288 L325 K327 A331	E281-Y329 HydrophobicContact CG-CE2 3.93Å; E281-Y329 PolarHBondContact OE1-OH 2.96Å; L284-Y329 HydrophobicContact CB-CD1 4.11Å; L284-Y329 HydrophobicContact CB-CD2 3.82Å; L284-Y329 HydrophobicContact CB-CE1 4.47Å; L284-Y329 HydrophobicContact CB-CE2 4.22Å; L284-Y329 HydrophobicContact CB-CG 3.77Å; L284-Y329 HydrophobicContact CD1-CD2 3.84Å; L284-Y329 HydrophobicContact CD1-CG 4.34Å; L284-Y329 HydrophobicContact CG-CD2 4.38Å; L284-Y329 HydrophobicContact CG-CG 4.46Å; R285-Y329 HydrophobicContact CB-CE1 4.06Å; V288-Y329 HydrophobicContact CG2-CD1 4.07Å; L325-Y329 HydrophobicContact CD2-CD2 4.36Å; L325-Y329 HydrophobicContact CD2-CE2 3.94Å; L325-Y329 WeakPolarHBondContact O-CD2 3.45Å; L325-Y329 PolarHBondContact O-N 3.22Å; K327-Y329 VanDerWaalsContact C-N 3.33Å; K327-Y329 PolarHBondContact O-N 3.03Å; Y329-A331 PolarHBondContact O-N 3.49Å
330	K	97.6	Very high	98	Very high	189 Å²	189	35.9 Å²	35.9	82%	0.822	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.7	-177.9	-55.8	-178.3	179.4	-178.6	0	112.7	K326 K327	K326-K330 WeakPolarHBondContact O-CA 3.24Å; K326-K330 PolarHBondContact O-N 3.18Å; K327-K330 PolarHBondContact O-N 2.61Å
331	A	98.4	Very high	98	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	17%	0.165	C	C	.	.			trans	-88.8	168	174.5	0	0	0	0	0	111	L284 I302 I304 K326 Y329	L284-A331 HydrophobicContact CD2-CB 4.03Å; I302-A331 HydrophobicContact CB-CB 4.19Å; I302-A331 HydrophobicContact CG2-CB 4.16Å; I304-A331 HydrophobicContact CD1-CB 3.98Å; I304-A331 HydrophobicContact CG1-CB 4.26Å; K326-A331 WeakPolarHBondContact CE-O 3.12Å; K326-A331 WeakPolarHBondContact CG-O 3.43Å; K326-A331 PolarHBondContact O-N 3.4Å; Y329-A331 PolarHBondContact O-N 3.49Å
332	Y	98.7	Very high	97.9	Very high	98 Å²	98	32.3 Å²	32.3	38%	0.384	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	154.5	168.6	-63.6	-83.5	0	0	0	110.2	K301 I302 I304 D363	K301-Y332 HydrophobicContact CB-CD2 4.25Å; K301-Y332 HydrophobicContact CB-CE2 4.23Å; K301-Y332 HydrophobicContact CD-CD2 4.49Å; K301-Y332 HydrophobicContact CD-CE2 4.18Å; K301-Y332 HydrophobicContact CG-CD2 4.43Å; K301-Y332 HydrophobicContact CG-CE2 3.99Å; I302-Y332 PolarHBondContact O-N 3.46Å; I304-Y332 PolarHBondContact N-O 3.39Å; Y332-D363 WeakPolarHBondContact CA-OD2 3.43Å; Y332-D363 HydrophobicContact CD1-CB 4.2Å
333	L	98.8	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.1	-179.3	179.6	60	0	0	0	110.4	I304 V306 L319 I322 I323 K326 I335 V362 D363 V364	I304-L333 HydrophobicContact CB-CD1 4.03Å; I304-L333 HydrophobicContact CG2-CD1 3.97Å; V306-L333 HydrophobicContact CG2-CD1 3.88Å; L319-L333 HydrophobicContact CD1-CD2 3.82Å; I322-L333 HydrophobicContact CG2-CD1 3.72Å; I322-L333 HydrophobicContact CG2-CD2 4.18Å; I323-L333 HydrophobicContact CG1-CD2 3.96Å; K326-L333 HydrophobicContact CD-CB 3.96Å; K326-L333 HydrophobicContact CG-CB 4.37Å; L333-I335 HydrophobicContact CD1-CG1 4.12Å; L333-I335 HydrophobicContact CD2-CD1 3.94Å; L333-I335 HydrophobicContact CD2-CG1 4.11Å; L333-I335 HydrophobicContact CG-CD1 4.24Å; L333-I335 HydrophobicContact CG-CG1 3.84Å; L333-V362 HydrophobicContact CD2-CG1 4.49Å; L333-V362 HydrophobicContact CD2-CG2 4.32Å; L333-V362 HydrophobicContact CG-CG1 4.37Å; L333-D363 PolarHBondContact N-OD2 3.44Å; L333-D363 PolarHBondContact O-N 3.12Å; L333-V364 PolarHBondContact O-N 3.44Å; L333-V364 VanDerWaalsContact O-N 3.08Å
334	Y	98.8	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.3	170.7	-171.8	-66.9	0	0	0	108.1	N234 I238 L241 L258 I304 L305 V306 V364 M366	N234-Y334 WeakPolarHBondContact OD1-CE1 3.07Å; N234-Y334 PolarHBondContact OD1-OH 3.34Å; I238-Y334 HydrophobicContact CG1-CE2 4.01Å; L241-Y334 HydrophobicContact CD1-CD2 4.08Å; L241-Y334 HydrophobicContact CD1-CE2 4.09Å; L258-Y334 HydrophobicContact CD2-CD1 4.14Å; L258-Y334 HydrophobicContact CD2-CE1 3.79Å; I304-Y334 PolarHBondContact O-N 2.89Å; L305-Y334 VanDerWaalsContact CD2-CB 3.46Å; L305-Y334 HydrophobicContact CD2-CD1 4.17Å; L305-Y334 HydrophobicContact CD2-CD2 4.36Å; L305-Y334 HydrophobicContact CD2-CG 3.77Å; V306-Y334 PolarHBondContact N-O 3.25Å; Y334-V364 WeakPolarHBondContact CA-O 3.31Å; Y334-V364 HydrophobicContact CD2-CB 3.56Å; Y334-V364 HydrophobicContact CD2-CG1 3.49Å; Y334-V364 VanDerWaalsContact CD2-CG1 3.49Å; Y334-V364 HydrophobicContact CD2-CG2 3.95Å; Y334-V364 HydrophobicContact CE2-CB 4.11Å; Y334-V364 HydrophobicContact CE2-CG1 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG1 3.49Å; Y334-V364 HydrophobicContact CG-CB 4Å; Y334-V364 HydrophobicContact CG-CG1 4.22Å; Y334-M366 HydrophobicContact CE1-CB 3.63Å; Y334-M366 HydrophobicContact CE1-CG 4.25Å; Y334-M366 WeakPolarHBondContact OH-CG 3.43Å
335	I	98.4	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.2	177.4	-54.1	-179.8	0	0	0	108.9	V306 L319 L333 E337 V351 V362 V364 M366	V306-I335 HydrophobicContact CG2-CG1 4.01Å; V306-I335 WeakPolarHBondContact O-CA 3.43Å; L319-I335 HydrophobicContact CD1-CD1 3.4Å; L319-I335 VanDerWaalsContact CD1-CD1 3.4Å; L319-I335 HydrophobicContact CD2-CD1 4Å; L319-I335 HydrophobicContact CG-CD1 4.36Å; L333-I335 HydrophobicContact CD1-CG1 4.12Å; L333-I335 HydrophobicContact CD2-CD1 3.94Å; L333-I335 HydrophobicContact CD2-CG1 4.11Å; L333-I335 HydrophobicContact CG-CD1 4.24Å; L333-I335 HydrophobicContact CG-CG1 3.84Å; I335-E337 HydrophobicContact CG2-CG 3.95Å; I335-V351 HydrophobicContact CG2-CG2 4.33Å; I335-V362 HydrophobicContact CB-CG1 4.2Å; I335-V362 HydrophobicContact CD1-CB 4.2Å; I335-V362 HydrophobicContact CD1-CG1 3.58Å; I335-V362 HydrophobicContact CD1-CG2 3.5Å; I335-V362 VanDerWaalsContact CD1-CG2 3.5Å; I335-V362 HydrophobicContact CG1-CG1 3.65Å; I335-V362 HydrophobicContact CG1-CG2 4.47Å; I335-V364 PolarHBondContact N-O 2.96Å; I335-M366 PolarHBondContact O-N 2.92Å
336	D	98.4	Very high	97.2	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	102.4	165.7	-175.6	-24.8	0	0	0	109.6	N234 L258 V306 E307 G308 A338 M366	N234-D336 PolarHBondContact ND2-OD2 3.08Å; L258-D336 HydrophobicContact CD1-CB 4.12Å; L258-D336 HydrophobicContact CD2-CB 4.47Å; V306-D336 PolarHBondContact O-N 3.45Å; E307-D336 CarbonylContact C-O 3.52Å; E307-D336 WeakPolarHBondContact CA-O 3.3Å; E307-D336 HydrophobicContact CG-CB 4.13Å; G308-D336 PolarHBondContact N-O 2.79Å; D336-A338 VanDerWaalsContact C-N 3.26Å; D336-A338 PolarHBondContact O-N 2.89Å; D336-A338 WeakPolarHBondContact OD1-CB 3.45Å; D336-A338 PolarHBondContact OD1-N 2.81Å; D336-M366 HydrophobicContact CB-SD 4.1Å; D336-M366 VanDerWaalsContact OD1-SD 3.38Å
337	E	97.5	Very high	97.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.172	C	C	.	.			trans	-86.3	16.7	178.7	-69	-91	-164.2	0	0	112.4	I335 H339 S340 I341 G350 V351 T352 L365 M366	I335-E337 HydrophobicContact CG2-CG 3.95Å; E337-H339 VanDerWaalsContact C-N 3.28Å; E337-H339 PolarHBondContact O-N 2.95Å; E337-H339 VanDerWaalsContact O-N 3.15Å; E337-S340 WeakPolarHBondContact CA-OG 3.49Å; E337-S340 PolarHBondContact O-N 2.95Å; E337-S340 VanDerWaalsContact O-N 3.1Å; E337-S340 PolarHBondContact O-OG 3Å; E337-S340 WeakPolarHBondContact OE2-CB 3.45Å; E337-S340 PolarHBondContact OE2-OG 3.5Å; E337-I341 HydrophobicContact CB-CB 4.28Å; E337-I341 WeakPolarHBondContact O-CB 3.49Å; E337-I341 WeakPolarHBondContact O-CG2 3.35Å; E337-I341 PolarHBondContact O-N 3.28Å; E337-G350 VanDerWaalsContact OE2-CA 3.29Å; E337-G350 WeakPolarHBondContact OE2-CA 3.35Å; E337-V351 WeakPolarHBondContact OE1-CG2 3.15Å; E337-V351 PolarHBondContact OE1-N 2.79Å; E337-V351 VanDerWaalsContact OE1-N 3.11Å; E337-V351 PolarHBondContact OE2-N 2.87Å; E337-T352 PolarHBondContact OE1-N 3.18Å; E337-L365 HydrophobicContact CG-CD2 4.28Å; E337-M366 WeakPolarHBondContact CA-O 3.45Å; E337-M366 WeakPolarHBondContact CB-O 3.35Å; E337-M366 PolarHBondContact N-O 3.44Å
338	A	97.1	Very high	97	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.041	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.6	-170.2	0	0	0	0	0	114.2	D336 T368 K371	D336-A338 VanDerWaalsContact C-N 3.26Å; D336-A338 PolarHBondContact O-N 2.89Å; D336-A338 WeakPolarHBondContact OD1-CB 3.45Å; D336-A338 PolarHBondContact OD1-N 2.81Å; A338-T368 HydrophobicContact CB-CG2 3.57Å; A338-K371 VanDerWaalsContact O-CD 3.31Å; A338-K371 WeakPolarHBondContact O-CD 3.06Å
339	H	97.6	Very high	96.9	Very high	4 Å²	4	28 Å²	28	2%	0.019	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-7.3	178.4	-79.6	-72.2	0	0	0	114.7	Y168 F170 V309 S311 E337 A343 K371	Y168-H339 AromaticContact CD1-CE1 3.62Å; Y168-H339 AromaticContact CD2-CE1 3.81Å; Y168-H339 AromaticContact CE1-CE1 3.45Å; Y168-H339 VanDerWaalsContact CE1-CE1 3.45Å; Y168-H339 WeakPolarHBondContact CE1-CE1 3.45Å; Y168-H339 AromaticContact CE2-CE1 3.62Å; Y168-H339 AromaticContact CG-CE1 3.79Å; Y168-H339 AromaticContact CZ-CE1 3.42Å; Y168-H339 VanDerWaalsContact CZ-CE1 3.42Å; F170-H339 AromaticContact CE2-ND1 3.78Å; F170-H339 AromaticContact CZ-ND1 3.77Å; V309-H339 HydrophobicContact CB-CB 3.69Å; V309-H339 HydrophobicContact CG1-CB 3.81Å; V309-H339 WeakPolarHBondContact O-CB 3.41Å; S311-H339 VanDerWaalsContact CB-CD2 3.44Å; S311-H339 WeakPolarHBondContact CB-CD2 3.31Å; S311-H339 WeakPolarHBondContact CB-NE2 3.33Å; E337-H339 VanDerWaalsContact C-N 3.28Å; E337-H339 PolarHBondContact O-N 2.95Å; E337-H339 VanDerWaalsContact O-N 3.15Å; H339-A343 WeakPolarHBondContact O-CB 3.28Å; H339-K371 PolarHBondContact CD2-NZ 3.16Å; H339-K371 VanDerWaalsContact CE1-CE 3.48Å; H339-K371 WeakPolarHBondContact CE1-CE 3.19Å; H339-K371 PolarHBondContact CE1-NZ 2.68Å; H339-K371 WeakPolarHBondContact NE2-CE 3.48Å; H339-K371 PolarHBondContact NE2-NZ 2.96Å
340	S	97.1	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-34.9	-175.9	36.4	0	0	0	0	112.1	E337 G342 A343 V344	E337-S340 WeakPolarHBondContact CA-OG 3.49Å; E337-S340 PolarHBondContact O-N 2.95Å; E337-S340 VanDerWaalsContact O-N 3.1Å; E337-S340 PolarHBondContact O-OG 3Å; E337-S340 WeakPolarHBondContact OE2-CB 3.45Å; E337-S340 PolarHBondContact OE2-OG 3.5Å; S340-G342 PolarHBondContact O-N 3.32Å; S340-A343 PolarHBondContact O-N 3.03Å; S340-V344 PolarHBondContact O-N 2.88Å
341	I	97.4	Very high	96.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	128	175.7	-163	69.3	0	0	0	110.5	F218 L219 E337 A343 R349 S372 F373 Y379	F218-I341 HydrophobicContact CD1-CD1 4.23Å; F218-I341 HydrophobicContact CE1-CD1 3.62Å; F218-I341 HydrophobicContact CE1-CG1 4.2Å; L219-I341 HydrophobicContact CD2-CD1 3.61Å; E337-I341 HydrophobicContact CB-CB 4.28Å; E337-I341 WeakPolarHBondContact O-CB 3.49Å; E337-I341 WeakPolarHBondContact O-CG2 3.35Å; E337-I341 PolarHBondContact O-N 3.28Å; I341-A343 PolarHBondContact O-N 3.44Å; I341-R349 WeakPolarHBondContact CD1-O 3.46Å; I341-S372 VanDerWaalsContact O-CB 3.24Å; I341-S372 WeakPolarHBondContact O-CB 3.36Å; I341-S372 PolarHBondContact O-OG 2.8Å; I341-F373 HydrophobicContact CB-CE2 4.4Å; I341-F373 HydrophobicContact CG1-CE2 3.77Å; I341-F373 HydrophobicContact CG1-CZ 3.86Å; I341-F373 HydrophobicContact CG2-CE2 3.81Å; I341-Y379 WeakPolarHBondContact CD1-OH 3.12Å; I341-Y379 WeakPolarHBondContact CG1-OH 3.36Å
342	G	95.3	Very high	96.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-3.2	-172.1	0	0	0	0	0	115.1	L171 S340 G348	L171-G342 VanDerWaalsContact CD2-O 3.22Å; L171-G342 WeakPolarHBondContact CD2-O 3.45Å; L171-G342 WeakPolarHBondContact CG-O 3.4Å; S340-G342 PolarHBondContact O-N 3.32Å; G342-G348 VanDerWaalsContact CA-O 3.23Å; G342-G348 WeakPolarHBondContact CA-O 3.28Å; G342-G348 PolarHBondContact N-O 3.38Å
343	A	94.8	Very high	96.6	Very high	6 Å²	6	14.3 Å²	14.3	5%	0.05	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-38.4	-172.6	0	0	0	0	0	113.8	F170 H339 S340 I341 L434 P459	F170-A343 HydrophobicContact CB-CB 4.49Å; F170-A343 HydrophobicContact CD2-CB 3.91Å; F170-A343 HydrophobicContact CE2-CB 4.45Å; F170-A343 HydrophobicContact CG-CB 4.37Å; H339-A343 WeakPolarHBondContact O-CB 3.28Å; S340-A343 PolarHBondContact O-N 3.03Å; I341-A343 PolarHBondContact O-N 3.44Å; A343-L434 HydrophobicContact CB-CD2 4.21Å; A343-P459 HydrophobicContact CB-CG 3.94Å
344	V	94.4	Very high	96.5	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.036	9%	0.092	C	C	.	.	S	Bend	trans	-125.4	159.5	-179.8	-53.7	0	0	0	0	110.8	V309 S340 G348 G350 V351 F354 N457	V309-V344 HydrophobicContact CG2-CG1 4.16Å; S340-V344 PolarHBondContact O-N 2.88Å; V344-G348 CarbonylContact O-C 3.58Å; V344-G348 WeakPolarHBondContact O-CA 3.45Å; V344-G350 PolarHBondContact O-N 3.19Å; V344-V351 HydrophobicContact CG2-CG1 4.01Å; V344-F354 HydrophobicContact CG2-CB 4.38Å; V344-N457 WeakPolarHBondContact CG1-O 3.13Å
345	G	94.4	Very high	96.3	Very high	13 Å²	13	18.5 Å²	18.5	13%	0.134	10%	0.099	C	C	.	.	S	Bend	trans	91.7	149.8	-171.6	0	0	0	0	0	112	T347 G348 E353	G345-T347 PolarHBondContact O-N 3.15Å; G345-T347 VanDerWaalsContact O-N 3.15Å; G345-G348 PolarHBondContact O-N 3.42Å; G345-G348 VanDerWaalsContact O-N 3.12Å; G345-E353 VanDerWaalsContact C-OE2 3.32Å; G345-E353 WeakPolarHBondContact CA-OE2 3.35Å
346	P	94.2	Very high	96.2	Very high	91 Å²	91	21.9 Å²	21.9	59%	0.591	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.5	-178.7	-28.8	35.1	0	0	0	115.4	L428	P346-L428 VanDerWaalsContact O-CD1 3.28Å; P346-L428 WeakPolarHBondContact O-CD1 3.49Å
347	T	95.2	Very high	96.2	Very high	41 Å²	41	23.1 Å²	23.1	25%	0.252	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	9.1	178.3	73	0	0	0	0	113	G345 R349 E353 L428	G345-T347 PolarHBondContact O-N 3.15Å; G345-T347 VanDerWaalsContact O-N 3.15Å; T347-R349 WeakPolarHBondContact OG1-CD 3.43Å; T347-R349 WeakPolarHBondContact OG1-CG 3.5Å; T347-E353 WeakPolarHBondContact CB-OE1 3.26Å; T347-E353 PolarHBondContact N-OE2 2.95Å; T347-E353 VanDerWaalsContact OG1-CD 3.26Å; T347-E353 PolarHBondContact OG1-OE1 2.74Å; T347-E353 PolarHBondContact OG1-OE2 3.5Å; T347-L428 HydrophobicContact CG2-CD1 4.2Å
348	G	95.6	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	77.8	26.3	179.3	0	0	0	0	0	113.3	F218 G342 V344 G345 G350 E353	F218-G348 WeakPolarHBondContact CZ-O 3.4Å; G342-G348 VanDerWaalsContact CA-O 3.23Å; G342-G348 WeakPolarHBondContact CA-O 3.28Å; G342-G348 PolarHBondContact N-O 3.38Å; V344-G348 CarbonylContact O-C 3.58Å; V344-G348 WeakPolarHBondContact O-CA 3.45Å; G345-G348 PolarHBondContact O-N 3.42Å; G345-G348 VanDerWaalsContact O-N 3.12Å; G348-G350 VanDerWaalsContact C-N 3.28Å; G348-G350 PolarHBondContact O-N 3.11Å; G348-E353 PolarHBondContact N-OE2 3.2Å
349	R	96.1	Very high	96.1	Very high	82 Å²	82	27.4 Å²	27.4	31%	0.309	16%	0.163	S	C	.	.			trans	-83.6	1	179.4	-73.1	172.4	172.3	155.5	-5.2	114.5	F218 I341 T347 E353	F218-R349 HydrophobicContact CD2-CG 4.45Å; F218-R349 HydrophobicContact CE1-CG 4.11Å; F218-R349 HydrophobicContact CE2-CG 4.01Å; F218-R349 HydrophobicContact CZ-CG 3.83Å; F218-R349 VanDerWaalsContact O-CD 3.3Å; F218-R349 WeakPolarHBondContact O-CD 3.5Å; F218-R349 WeakPolarHBondContact O-CG 3.47Å; F218-R349 PolarHBondContact O-NE 2.88Å; I341-R349 WeakPolarHBondContact CD1-O 3.46Å; T347-R349 WeakPolarHBondContact OG1-CD 3.43Å; T347-R349 WeakPolarHBondContact OG1-CG 3.5Å; R349-E353 HydrophobicContact CB-CB 3.73Å; R349-E353 HydrophobicContact CB-CG 4.24Å; R349-E353 PolarHBondContact N-OE2 3.22Å; R349-E353 IonicContact NH1-OE1 3.82Å
350	G	96.8	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.			trans	97.6	-163.3	177.3	0	0	0	0	0	113.5	E337 V344 G348 T352 E353 F354	E337-G350 VanDerWaalsContact OE2-CA 3.29Å; E337-G350 WeakPolarHBondContact OE2-CA 3.35Å; V344-G350 PolarHBondContact O-N 3.19Å; G348-G350 VanDerWaalsContact C-N 3.28Å; G348-G350 PolarHBondContact O-N 3.11Å; G350-T352 VanDerWaalsContact C-N 3.33Å; G350-T352 PolarHBondContact O-N 2.93Å; G350-E353 PolarHBondContact O-N 2.88Å; G350-F354 PolarHBondContact O-N 3.3Å
351	V	97	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.5	-27.7	-169	-65.8	0	0	0	0	113.2	G308 I316 V317 L319 I335 E337 V344 E353 F354 F355	G308-V351 WeakPolarHBondContact O-CG1 3.48Å; I316-V351 HydrophobicContact CG2-CG1 3.94Å; V317-V351 HydrophobicContact CG1-CG2 4.04Å; L319-V351 HydrophobicContact CD2-CG2 3.94Å; I335-V351 HydrophobicContact CG2-CG2 4.33Å; E337-V351 WeakPolarHBondContact OE1-CG2 3.15Å; E337-V351 PolarHBondContact OE1-N 2.79Å; E337-V351 VanDerWaalsContact OE1-N 3.11Å; E337-V351 PolarHBondContact OE2-N 2.87Å; V344-V351 HydrophobicContact CG2-CG1 4.01Å; V351-E353 PolarHBondContact O-N 3.1Å; V351-F354 PolarHBondContact O-N 3.1Å; V351-F355 HydrophobicContact CB-CD2 4.45Å; V351-F355 HydrophobicContact CB-CE2 4.39Å; V351-F355 WeakPolarHBondContact O-CD2 3.48Å; V351-F355 PolarHBondContact O-N 3.25Å; V351-F355 VanDerWaalsContact O-N 3.12Å
352	T	96.6	Very high	96.1	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-49.8	172.6	51	0	0	0	0	111.5	L319 E337 G350 F355 G356 L357 V362 L365	L319-T352 HydrophobicContact CD2-CG2 4.1Å; E337-T352 PolarHBondContact OE1-N 3.18Å; G350-T352 VanDerWaalsContact C-N 3.33Å; G350-T352 PolarHBondContact O-N 2.93Å; T352-F355 PolarHBondContact O-N 2.86Å; T352-G356 PolarHBondContact O-N 3.49Å; T352-L357 PolarHBondContact O-N 2.72Å; T352-V362 HydrophobicContact CG2-CG2 3.86Å; T352-L365 HydrophobicContact CG2-CD2 4.02Å
353	E	96.4	Very high	96.2	Very high	37 Å²	37	35 Å²	35	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-37.8	177.3	-165.8	-166.8	-139.2	0	0	112.3	G345 T347 G348 R349 G350 V351 F355 G356	G345-E353 VanDerWaalsContact C-OE2 3.32Å; G345-E353 WeakPolarHBondContact CA-OE2 3.35Å; T347-E353 WeakPolarHBondContact CB-OE1 3.26Å; T347-E353 PolarHBondContact N-OE2 2.95Å; T347-E353 VanDerWaalsContact OG1-CD 3.26Å; T347-E353 PolarHBondContact OG1-OE1 2.74Å; T347-E353 PolarHBondContact OG1-OE2 3.5Å; G348-E353 PolarHBondContact N-OE2 3.2Å; R349-E353 HydrophobicContact CB-CB 3.73Å; R349-E353 HydrophobicContact CB-CG 4.24Å; R349-E353 PolarHBondContact N-OE2 3.22Å; R349-E353 IonicContact NH1-OE1 3.82Å; G350-E353 PolarHBondContact O-N 2.88Å; V351-E353 PolarHBondContact O-N 3.1Å; E353-F355 PolarHBondContact O-N 3.01Å; E353-G356 PolarHBondContact O-N 3.2Å
354	F	96.6	Very high	96.4	Very high	53 Å²	53	34.9 Å²	34.9	23%	0.232	20%	0.198	C	C	.	.	H	α-helix	trans	-54.6	-39.1	176.2	176	-102.2	0	0	0	112.7	I316 V344 G350 V351 N457	I316-F354 HydrophobicContact CD1-CE1 4.19Å; I316-F354 HydrophobicContact CD1-CZ 4.17Å; I316-F354 HydrophobicContact CG2-CD1 4.34Å; I316-F354 HydrophobicContact CG2-CE1 4.26Å; V344-F354 HydrophobicContact CG2-CB 4.38Å; G350-F354 PolarHBondContact O-N 3.3Å; V351-F354 PolarHBondContact O-N 3.1Å; F354-N457 HydrophobicContact CE2-CB 3.8Å; F354-N457 HydrophobicContact CZ-CB 4.25Å
355	F	96.4	Very high	96.6	Very high	35 Å²	35	34.7 Å²	34.7	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.5	176.4	-68.7	-64.7	0	0	0	114.2	I51 I316 V317 L319 P320 V351 T352 E353 L357	I51-F355 HydrophobicContact CD1-CE1 3.61Å; I51-F355 HydrophobicContact CD1-CZ 3.49Å; I51-F355 VanDerWaalsContact CD1-CZ 3.49Å; I51-F355 HydrophobicContact CG1-CE1 3.98Å; I51-F355 HydrophobicContact CG1-CZ 4.23Å; I316-F355 HydrophobicContact CG2-CE2 3.86Å; I316-F355 HydrophobicContact CG2-CZ 3.83Å; V317-F355 VanDerWaalsContact O-CE2 3.27Å; V317-F355 WeakPolarHBondContact O-CE2 3.45Å; V317-F355 WeakPolarHBondContact O-CZ 3.36Å; L319-F355 HydrophobicContact CB-CD2 3.84Å; L319-F355 HydrophobicContact CB-CE2 3.93Å; L319-F355 HydrophobicContact CD2-CD2 4.38Å; P320-F355 HydrophobicContact CG-CB 4.24Å; P320-F355 HydrophobicContact CG-CD1 3.91Å; P320-F355 HydrophobicContact CG-CD2 4.5Å; P320-F355 HydrophobicContact CG-CE1 4.42Å; P320-F355 HydrophobicContact CG-CG 3.97Å; V351-F355 HydrophobicContact CB-CD2 4.45Å; V351-F355 HydrophobicContact CB-CE2 4.39Å; V351-F355 WeakPolarHBondContact O-CD2 3.48Å; V351-F355 PolarHBondContact O-N 3.25Å; V351-F355 VanDerWaalsContact O-N 3.12Å; T352-F355 PolarHBondContact O-N 2.86Å; E353-F355 PolarHBondContact O-N 3.01Å; F355-L357 VanDerWaalsContact C-N 3.27Å; F355-L357 HydrophobicContact CB-CD1 3.63Å; F355-L357 HydrophobicContact CB-CG 3.73Å; F355-L357 HydrophobicContact CG-CD1 4.38Å; F355-L357 PolarHBondContact O-N 2.92Å
356	G	96.3	Very high	96.8	Very high	70 Å²	70	34.2 Å²	34.2	72%	0.722	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	31.9	-175.6	0	0	0	0	0	113.3	T352 E353	T352-G356 PolarHBondContact O-N 3.49Å; E353-G356 PolarHBondContact O-N 3.2Å
357	L	96.6	Very high	97	Very high	34 Å²	34	29.9 Å²	29.9	18%	0.178	16%	0.163	C	C	.	.			trans	-93.1	149	-178.8	-64.5	168.5	0	0	0	110.9	L319 P320 I323 T352 F355 P359	L319-L357 HydrophobicContact CB-CD1 4.27Å; L319-L357 HydrophobicContact CD2-CD1 3.74Å; L319-L357 HydrophobicContact CG-CD1 3.68Å; P320-L357 HydrophobicContact CG-CD1 4.15Å; I323-L357 HydrophobicContact CD1-CD1 3.75Å; T352-L357 PolarHBondContact O-N 2.72Å; F355-L357 VanDerWaalsContact C-N 3.27Å; F355-L357 HydrophobicContact CB-CD1 3.63Å; F355-L357 HydrophobicContact CB-CG 3.73Å; F355-L357 HydrophobicContact CG-CD1 4.38Å; F355-L357 PolarHBondContact O-N 2.92Å; L357-P359 WeakPolarHBondContact O-CD 3.26Å
358	D	96.8	Very high	97.1	Very high	81 Å²	81	28.2 Å²	28.2	43%	0.433	15%	0.153	S	C	.	.			trans	-67.5	121.4	171.3	-177.4	-3.1	0	0	0	109.7	H360 E361	D358-H360 PolarHBondContact O-N 3.05Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 WeakPolarHBondContact OD1-CB 3.14Å; D358-H360 IonicContact OD1-CE1 3.77Å; D358-H360 IonicContact OD1-CG 3.78Å; D358-H360 PolarHBondContact OD1-N 3.38Å; D358-H360 IonicContact OD1-ND1 2.77Å; D358-H360 PolarHBondContact OD1-ND1 2.79Å; D358-H360 IonicContact OD2-ND1 3.21Å; D358-E361 HydrophobicContact CB-CG 4.18Å; D358-E361 VanDerWaalsContact O-CB 3.29Å; D358-E361 WeakPolarHBondContact O-CB 3.43Å; D358-E361 WeakPolarHBondContact O-CG 3.3Å; D358-E361 PolarHBondContact O-N 3.47Å
359	P	96.7	Very high	97.2	Very high	14 Å²	14	28.2 Å²	28.2	9%	0.091	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-59.1	-22.7	178.8	24.8	-36	0	0	0	113.4	L219 N220 V221 L357 E361 V362 L365	L219-P359 WeakPolarHBondContact O-CG 2.96Å; N220-P359 HydrophobicContact CB-CG 4.32Å; N220-P359 WeakPolarHBondContact O-CG 3.15Å; V221-P359 HydrophobicContact CG1-CB 3.88Å; V221-P359 HydrophobicContact CG1-CG 4.23Å; L357-P359 WeakPolarHBondContact O-CD 3.26Å; P359-E361 PolarHBondContact O-N 2.91Å; P359-V362 PolarHBondContact O-N 2.91Å; P359-V362 VanDerWaalsContact O-N 3.08Å; P359-L365 HydrophobicContact CB-CD1 4.1Å
360	H	96.6	Very high	97.2	Very high	79 Å²	79	27.6 Å²	27.6	37%	0.366	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12.7	176.3	-59.4	84.1	0	0	0	113.4	N220 D358 V362	N220-H360 PolarHBondContact O-CE1 2.98Å; D358-H360 PolarHBondContact O-N 3.05Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 WeakPolarHBondContact OD1-CB 3.14Å; D358-H360 IonicContact OD1-CE1 3.77Å; D358-H360 IonicContact OD1-CG 3.78Å; D358-H360 PolarHBondContact OD1-N 3.38Å; D358-H360 IonicContact OD1-ND1 2.77Å; D358-H360 PolarHBondContact OD1-ND1 2.79Å; D358-H360 IonicContact OD2-ND1 3.21Å; H360-V362 PolarHBondContact O-N 3.27Å
361	E	97.1	Very high	97.1	Very high	54 Å²	54	28.9 Å²	28.9	25%	0.252	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-73.9	-12.8	172.3	-65.7	-69.1	-180	0	0	112.9	I323 K326 K327 D358 P359	I323-E361 HydrophobicContact CD1-CB 3.96Å; I323-E361 HydrophobicContact CG2-CB 4.18Å; K326-E361 PolarHBondContact NZ-O 3.47Å; K327-E361 WeakPolarHBondContact CE-OE1 3.48Å; K327-E361 WeakPolarHBondContact CE-OE2 3.16Å; K327-E361 IonicContact NZ-OE1 3.91Å; K327-E361 PolarHBondContact NZ-OE1 3.21Å; K327-E361 IonicContact NZ-OE2 3.86Å; K327-E361 PolarHBondContact NZ-OE2 3.33Å; D358-E361 HydrophobicContact CB-CG 4.18Å; D358-E361 VanDerWaalsContact O-CB 3.29Å; D358-E361 WeakPolarHBondContact O-CB 3.43Å; D358-E361 WeakPolarHBondContact O-CG 3.3Å; D358-E361 PolarHBondContact O-N 3.47Å; P359-E361 PolarHBondContact O-N 2.91Å
362	V	98.1	Very high	97.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.024	16%	0.164	C	C	.	.			trans	-102.8	127.1	176.1	-175.7	0	0	0	0	109	L333 I335 T352 P359 H360 L365	L333-V362 HydrophobicContact CD2-CG1 4.49Å; L333-V362 HydrophobicContact CD2-CG2 4.32Å; L333-V362 HydrophobicContact CG-CG1 4.37Å; I335-V362 HydrophobicContact CB-CG1 4.2Å; I335-V362 HydrophobicContact CD1-CB 4.2Å; I335-V362 HydrophobicContact CD1-CG1 3.58Å; I335-V362 HydrophobicContact CD1-CG2 3.5Å; I335-V362 VanDerWaalsContact CD1-CG2 3.5Å; I335-V362 HydrophobicContact CG1-CG1 3.65Å; I335-V362 HydrophobicContact CG1-CG2 4.47Å; T352-V362 HydrophobicContact CG2-CG2 3.86Å; P359-V362 PolarHBondContact O-N 2.91Å; P359-V362 VanDerWaalsContact O-N 3.08Å; H360-V362 PolarHBondContact O-N 3.27Å; V362-L365 HydrophobicContact CB-CD2 3.99Å; V362-L365 HydrophobicContact CB-CG 4.14Å; V362-L365 HydrophobicContact CG1-CD2 3.74Å; V362-L365 HydrophobicContact CG1-CG 3.95Å; V362-L365 HydrophobicContact CG2-CD2 4.31Å
363	D	98.5	Very high	97.1	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.144	16%	0.162	C	C	.	.	S	Bend	trans	-77.2	-37.1	-175.5	-51.6	-72.1	0	0	0	111.9	K326 Y332 L333 L386	K326-D363 WeakPolarHBondContact CE-OD2 3.1Å; K326-D363 IonicContact NZ-OD1 3.79Å; K326-D363 PolarHBondContact NZ-OD1 3.36Å; K326-D363 IonicContact NZ-OD2 3.63Å; K326-D363 PolarHBondContact NZ-OD2 3.43Å; Y332-D363 WeakPolarHBondContact CA-OD2 3.43Å; Y332-D363 HydrophobicContact CD1-CB 4.2Å; L333-D363 PolarHBondContact N-OD2 3.44Å; L333-D363 PolarHBondContact O-N 3.12Å; D363-L386 WeakPolarHBondContact O-CD2 3.44Å
364	V	98.7	Very high	96.9	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.03	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	111.5	179.7	-166.7	0	0	0	0	109.6	L241 L333 Y334 I335 I380 L386	L241-V364 HydrophobicContact CD1-CG2 4.04Å; L333-V364 PolarHBondContact O-N 3.44Å; L333-V364 VanDerWaalsContact O-N 3.08Å; Y334-V364 WeakPolarHBondContact CA-O 3.31Å; Y334-V364 HydrophobicContact CD2-CB 3.56Å; Y334-V364 HydrophobicContact CD2-CG1 3.49Å; Y334-V364 VanDerWaalsContact CD2-CG1 3.49Å; Y334-V364 HydrophobicContact CD2-CG2 3.95Å; Y334-V364 HydrophobicContact CE2-CB 4.11Å; Y334-V364 HydrophobicContact CE2-CG1 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG1 3.49Å; Y334-V364 HydrophobicContact CG-CB 4Å; Y334-V364 HydrophobicContact CG-CG1 4.22Å; I335-V364 PolarHBondContact N-O 2.96Å; V364-I380 HydrophobicContact CG1-CG2 3.53Å; V364-L386 HydrophobicContact CB-CD2 4.37Å; V364-L386 HydrophobicContact CG1-CD2 4.36Å; V364-L386 HydrophobicContact CG2-CD1 4.4Å; V364-L386 HydrophobicContact CG2-CD2 3.86Å
365	L	98.6	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.3	170.5	-70.5	163.7	0	0	0	108.4	V221 E337 T352 P359 V362 I380 A381	V221-L365 HydrophobicContact CG1-CD1 3.88Å; E337-L365 HydrophobicContact CG-CD2 4.28Å; T352-L365 HydrophobicContact CG2-CD2 4.02Å; P359-L365 HydrophobicContact CB-CD1 4.1Å; V362-L365 HydrophobicContact CB-CD2 3.99Å; V362-L365 HydrophobicContact CB-CG 4.14Å; V362-L365 HydrophobicContact CG1-CD2 3.74Å; V362-L365 HydrophobicContact CG1-CG 3.95Å; V362-L365 HydrophobicContact CG2-CD2 4.31Å; L365-I380 CarbonylContact O-C 3.58Å; L365-I380 WeakPolarHBondContact O-CA 3.45Å; L365-A381 HydrophobicContact CB-CB 4.5Å; L365-A381 PolarHBondContact N-O 3.25Å; L365-A381 PolarHBondContact O-N 3.39Å
366	M	98.1	Very high	96.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144	173.5	178.9	-86.5	-171.1	0	0	109.7	G230 T233 N234 Y334 I335 D336 E337 Y379 I380	G230-M366 WeakPolarHBondContact O-CE 3.09Å; T233-M366 HydrophobicContact CG2-CE 3.84Å; T233-M366 HydrophobicContact CG2-CG 3.69Å; N234-M366 HydrophobicContact CB-CE 4.49Å; N234-M366 VanDerWaalsContact CG-CE 3.47Å; N234-M366 WeakPolarHBondContact ND2-CE 3.35Å; N234-M366 WeakPolarHBondContact OD1-CE 2.91Å; N234-M366 VanDerWaalsContact OD1-CG 3.26Å; N234-M366 WeakPolarHBondContact OD1-CG 3.49Å; N234-M366 PolarHBondContact OD1-SD 3.37Å; N234-M366 VanDerWaalsContact OD1-SD 3.36Å; Y334-M366 HydrophobicContact CE1-CB 3.63Å; Y334-M366 HydrophobicContact CE1-CG 4.25Å; Y334-M366 WeakPolarHBondContact OH-CG 3.43Å; I335-M366 PolarHBondContact O-N 2.92Å; D336-M366 HydrophobicContact CB-SD 4.1Å; D336-M366 VanDerWaalsContact OD1-SD 3.38Å; E337-M366 WeakPolarHBondContact CA-O 3.45Å; E337-M366 WeakPolarHBondContact CB-O 3.35Å; E337-M366 PolarHBondContact N-O 3.44Å; M366-Y379 WeakPolarHBondContact CA-O 3.48Å; M366-I380 HydrophobicContact CB-CG1 4.33Å; M366-I380 HydrophobicContact CG-CG1 4.35Å
367	G	97.6	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	175.7	170.1	0	0	0	0	0	112.7	G378 Y379	G367-G378 CarbonylContact O-C 3.53Å; G367-G378 WeakPolarHBondContact O-CA 3.46Å; G367-Y379 PolarHBondContact N-O 2.88Å; G367-Y379 VanDerWaalsContact N-O 3.1Å; G367-Y379 PolarHBondContact O-N 2.85Å
368	T	97.3	Very high	96.8	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.4	178.7	-165.1	0	0	0	0	112.2	A338 T370 K371 G377	A338-T368 HydrophobicContact CB-CG2 3.57Å; T368-T370 PolarHBondContact OG1-N 3.46Å; T368-T370 PolarHBondContact OG1-OG1 2.94Å; T368-T370 VanDerWaalsContact OG1-OG1 3.05Å; T368-K371 HydrophobicContact CG2-CB 4.25Å; T368-K371 HydrophobicContact CG2-CD 3.77Å; T368-K371 HydrophobicContact CG2-CG 3.8Å; T368-G377 PolarHBondContact OG1-O 3.15Å
369	F	97.8	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-93.8	-3.3	173.2	-56.2	-59.8	0	0	0	113.1	V215 V226 K371 F373 G374 A375 G377 Y379 M403 I411	V215-F369 HydrophobicContact CG2-CE1 4.13Å; V215-F369 HydrophobicContact CG2-CZ 3.78Å; V226-F369 HydrophobicContact CB-CE2 4.42Å; V226-F369 HydrophobicContact CG1-CE2 3.97Å; V226-F369 HydrophobicContact CG1-CZ 4.15Å; F369-K371 VanDerWaalsContact C-N 3.27Å; F369-K371 PolarHBondContact O-N 2.99Å; F369-F373 HydrophobicContact CB-CB 4.31Å; F369-F373 HydrophobicContact CD1-CB 4.35Å; F369-F373 AromaticContact CD1-CD2 3.76Å; F369-F373 HydrophobicContact CD1-CD2 3.76Å; F369-F373 HydrophobicContact CD1-CE2 4.16Å; F369-F373 HydrophobicContact CD1-CG 4.02Å; F369-G374 PolarHBondContact O-N 3.25Å; F369-A375 HydrophobicContact CB-CB 4.37Å; F369-A375 CarbonylContact O-C 3.54Å; F369-A375 PolarHBondContact O-N 3.35Å; F369-G377 PolarHBondContact N-O 2.97Å; F369-Y379 HydrophobicContact CD1-CD1 4.45Å; F369-Y379 AromaticContact CE1-CD1 3.64Å; F369-Y379 HydrophobicContact CE1-CD1 3.64Å; F369-Y379 HydrophobicContact CE1-CE1 4.14Å; F369-Y379 HydrophobicContact CE2-CD1 4.08Å; F369-Y379 AromaticContact CZ-CD1 3.43Å; F369-Y379 HydrophobicContact CZ-CD1 3.43Å; F369-Y379 VanDerWaalsContact CZ-CD1 3.43Å; F369-Y379 HydrophobicContact CZ-CE1 4.36Å; F369-Y379 HydrophobicContact CZ-CG 4.09Å; F369-M403 HydrophobicContact CD2-CE 4Å; F369-M403 HydrophobicContact CE2-CE 4.17Å; F369-I411 HydrophobicContact CB-CD1 3.76Å; F369-I411 HydrophobicContact CB-CG1 3.99Å; F369-I411 HydrophobicContact CD1-CD1 4.22Å; F369-I411 HydrophobicContact CD1-CG1 4.25Å; F369-I411 HydrophobicContact CD1-CG2 3.45Å; F369-I411 VanDerWaalsContact CD1-CG2 3.45Å; F369-I411 HydrophobicContact CD2-CD1 3.56Å; F369-I411 HydrophobicContact CD2-CG1 4.44Å; F369-I411 HydrophobicContact CE1-CG2 3.49Å; F369-I411 VanDerWaalsContact CE1-CG2 3.49Å; F369-I411 HydrophobicContact CE2-CD1 4.17Å; F369-I411 HydrophobicContact CG-CD1 3.58Å; F369-I411 HydrophobicContact CG-CG1 3.99Å; F369-I411 HydrophobicContact CG-CG2 3.99Å; F369-I411 HydrophobicContact CZ-CG2 4.06Å
370	T	95.9	Very high	97	Very high	69 Å²	69	16.8 Å²	16.8	42%	0.423	10%	0.099	S	C	.	.	S	Bend	trans	-78.8	-5.6	-175.7	62.7	0	0	0	0	114.9	T368 A375	T368-T370 PolarHBondContact OG1-N 3.46Å; T368-T370 PolarHBondContact OG1-OG1 2.94Å; T368-T370 VanDerWaalsContact OG1-OG1 3.05Å; T370-A375 WeakPolarHBondContact CA-O 3.49Å
371	K	96.4	Very high	97.1	Very high	27 Å²	27	13 Å²	13	12%	0.117	8%	0.082	C	C	.	.	S	Bend	trans	-114.6	-103.5	-171.8	-61.1	179.6	-174.5	156.1	0	110.5	Y168 A338 H339 T368 F369 F373 G374	Y168-K371 HydrophobicContact CD2-CD 4.02Å; Y168-K371 HydrophobicContact CD2-CG 4.06Å; Y168-K371 HydrophobicContact CG-CD 4.18Å; Y168-K371 HydrophobicContact CG-CG 4.18Å; Y168-K371 CarbonylContact O-C 3.6Å; Y168-K371 VanDerWaalsContact O-CA 3.24Å; Y168-K371 WeakPolarHBondContact O-CA 3.41Å; Y168-K371 WeakPolarHBondContact O-CB 3.28Å; A338-K371 VanDerWaalsContact O-CD 3.31Å; A338-K371 WeakPolarHBondContact O-CD 3.06Å; H339-K371 PolarHBondContact CD2-NZ 3.16Å; H339-K371 VanDerWaalsContact CE1-CE 3.48Å; H339-K371 WeakPolarHBondContact CE1-CE 3.19Å; H339-K371 PolarHBondContact CE1-NZ 2.68Å; H339-K371 WeakPolarHBondContact NE2-CE 3.48Å; H339-K371 PolarHBondContact NE2-NZ 2.96Å; T368-K371 HydrophobicContact CG2-CB 4.25Å; T368-K371 HydrophobicContact CG2-CD 3.77Å; T368-K371 HydrophobicContact CG2-CG 3.8Å; F369-K371 VanDerWaalsContact C-N 3.27Å; F369-K371 PolarHBondContact O-N 2.99Å; K371-F373 PolarHBondContact O-N 2.8Å; K371-F373 VanDerWaalsContact O-N 3.08Å; K371-G374 PolarHBondContact O-N 2.96Å
372	S	96.4	Very high	97.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.6	-178.7	-51.4	0	0	0	0	113.3	Y168 F170 L171 I341	Y168-S372 PolarHBondContact O-N 3.44Å; F170-S372 WeakPolarHBondContact CD2-OG 3.4Å; L171-S372 WeakPolarHBondContact CB-O 3.44Å; I341-S372 VanDerWaalsContact O-CB 3.24Å; I341-S372 WeakPolarHBondContact O-CB 3.36Å; I341-S372 PolarHBondContact O-OG 2.8Å
373	F	95.8	Very high	97.1	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.7	-178.7	-57.1	-81.5	0	0	0	114.4	F218 I341 F369 K371 A375 L415 L418	F218-F373 HydrophobicContact CE1-CZ 4.36Å; I341-F373 HydrophobicContact CB-CE2 4.4Å; I341-F373 HydrophobicContact CG1-CE2 3.77Å; I341-F373 HydrophobicContact CG1-CZ 3.86Å; I341-F373 HydrophobicContact CG2-CE2 3.81Å; F369-F373 HydrophobicContact CB-CB 4.31Å; F369-F373 HydrophobicContact CD1-CB 4.35Å; F369-F373 AromaticContact CD1-CD2 3.76Å; F369-F373 HydrophobicContact CD1-CD2 3.76Å; F369-F373 HydrophobicContact CD1-CE2 4.16Å; F369-F373 HydrophobicContact CD1-CG 4.02Å; K371-F373 PolarHBondContact O-N 2.8Å; K371-F373 VanDerWaalsContact O-N 3.08Å; F373-A375 PolarHBondContact O-N 2.84Å; F373-A375 VanDerWaalsContact O-N 3.13Å; F373-L415 HydrophobicContact CE1-CD2 3.62Å; F373-L415 HydrophobicContact CE1-CG 4.19Å; F373-L415 HydrophobicContact CZ-CD2 4.08Å; F373-L418 HydrophobicContact CD1-CD1 4.42Å; F373-L418 HydrophobicContact CE1-CD1 3.75Å; F373-L418 HydrophobicContact CZ-CD1 4.49Å
374	G	93.6	Very high	97.1	Very high	16 Å²	16	19.3 Å²	19.3	17%	0.165	10%	0.104	C	C	.	.	S	Bend	trans	61.4	21.5	174.1	0	0	0	0	0	116.1	F369 K371 Q410	F369-G374 PolarHBondContact O-N 3.25Å; K371-G374 PolarHBondContact O-N 2.96Å; G374-Q410 PolarHBondContact O-NE2 3.38Å
375	A	95.3	Very high	97.1	Very high	19 Å²	19	23 Å²	23	16%	0.157	12%	0.124	C	C	.	.	S	Bend	trans	-121.6	-144.2	-172.7	0	0	0	0	0	111.2	F369 T370 F373 I407 Q410 I411	F369-A375 HydrophobicContact CB-CB 4.37Å; F369-A375 CarbonylContact O-C 3.54Å; F369-A375 PolarHBondContact O-N 3.35Å; T370-A375 WeakPolarHBondContact CA-O 3.49Å; F373-A375 PolarHBondContact O-N 2.84Å; F373-A375 VanDerWaalsContact O-N 3.13Å; A375-I407 HydrophobicContact CB-CG2 4.3Å; A375-Q410 HydrophobicContact CB-CG 4.28Å; A375-I411 HydrophobicContact CB-CD1 4.14Å; A375-I411 HydrophobicContact CB-CG1 3.52Å
376	A	95.2	Very high	97.1	Very high	38 Å²	38	24 Å²	24	31%	0.314	13%	0.13	S	C	.	.	S	Bend	trans	-136.9	153.6	176.4	0	0	0	0	0	112.7	I407	A376-I407 HydrophobicContact CB-CG2 4.09Å
377	G	95.8	Very high	97.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.129	C	C	.	.			trans	100.3	-164.3	176.8	0	0	0	0	0	115.2	F227 G228 T368 F369	F227-G377 CarbonylContact O-C 3.55Å; F227-G377 WeakPolarHBondContact O-CA 3.44Å; G228-G377 WeakPolarHBondContact O-CA 3.46Å; T368-G377 PolarHBondContact OG1-O 3.15Å; F369-G377 PolarHBondContact N-O 2.97Å
378	G	97.3	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	-178.9	178.4	0	0	0	0	0	112.1	V226 F227 G367	V226-G378 CarbonylContact C-O 3.37Å; V226-G378 WeakPolarHBondContact CA-O 3.44Å; F227-G378 PolarHBondContact N-O 2.92Å; F227-G378 PolarHBondContact O-N 2.93Å; G367-G378 CarbonylContact O-C 3.53Å; G367-G378 WeakPolarHBondContact O-CA 3.46Å
379	Y	98.2	Very high	97	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	158.5	-179	67.1	-95.4	0	0	0	111.5	V215 L219 M225 I341 M366 G367 F369 A381	V215-Y379 HydrophobicContact CG1-CD1 4.22Å; V215-Y379 HydrophobicContact CG1-CD2 3.84Å; V215-Y379 HydrophobicContact CG1-CE2 4.25Å; V215-Y379 HydrophobicContact CG1-CG 3.83Å; L219-Y379 HydrophobicContact CD1-CD2 4.09Å; L219-Y379 HydrophobicContact CD1-CE2 3.35Å; M225-Y379 CarbonylContact O-C 3.04Å; M225-Y379 WeakPolarHBondContact O-CA 3.2Å; M225-Y379 WeakPolarHBondContact O-CB 3.38Å; I341-Y379 WeakPolarHBondContact CD1-OH 3.12Å; I341-Y379 WeakPolarHBondContact CG1-OH 3.36Å; M366-Y379 WeakPolarHBondContact CA-O 3.48Å; G367-Y379 PolarHBondContact N-O 2.88Å; G367-Y379 VanDerWaalsContact N-O 3.1Å; G367-Y379 PolarHBondContact O-N 2.85Å; F369-Y379 HydrophobicContact CD1-CD1 4.45Å; F369-Y379 AromaticContact CE1-CD1 3.64Å; F369-Y379 HydrophobicContact CE1-CD1 3.64Å; F369-Y379 HydrophobicContact CE1-CE1 4.14Å; F369-Y379 HydrophobicContact CE2-CD1 4.08Å; F369-Y379 AromaticContact CZ-CD1 3.43Å; F369-Y379 HydrophobicContact CZ-CD1 3.43Å; F369-Y379 VanDerWaalsContact CZ-CD1 3.43Å; F369-Y379 HydrophobicContact CZ-CE1 4.36Å; F369-Y379 HydrophobicContact CZ-CG 4.09Å; Y379-A381 HydrophobicContact CD2-CB 4.03Å; Y379-A381 HydrophobicContact CE2-CB 4.26Å
380	I	98.5	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132	159.7	-70.4	171.3	0	0	0	107.5	A224 M225 F227 T233 N237 V364 L365 M366 L390	A224-I380 CarbonylContact C-O 3.46Å; A224-I380 WeakPolarHBondContact CA-O 3.46Å; M225-I380 PolarHBondContact N-O 3Å; M225-I380 PolarHBondContact O-N 3.26Å; F227-I380 HydrophobicContact CE2-CB 4.01Å; F227-I380 HydrophobicContact CE2-CD1 3.97Å; F227-I380 HydrophobicContact CE2-CG1 3.87Å; F227-I380 HydrophobicContact CZ-CD1 4.25Å; T233-I380 HydrophobicContact CG2-CD1 4.33Å; T233-I380 HydrophobicContact CG2-CG1 3.93Å; N237-I380 HydrophobicContact CB-CD1 3.45Å; N237-I380 VanDerWaalsContact CB-CD1 3.45Å; V364-I380 HydrophobicContact CG1-CG2 3.53Å; L365-I380 CarbonylContact O-C 3.58Å; L365-I380 WeakPolarHBondContact O-CA 3.45Å; M366-I380 HydrophobicContact CB-CG1 4.33Å; M366-I380 HydrophobicContact CG-CG1 4.35Å; I380-L390 HydrophobicContact CB-CD1 4.22Å; I380-L390 HydrophobicContact CD1-CD1 3.97Å; I380-L390 HydrophobicContact CG2-CD1 3.62Å
381	A	98.6	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.9	-179.7	0	0	0	0	0	111.1	L219 V221 A223 A224 L365 Y379	L219-A381 HydrophobicContact CD1-CB 3.54Å; V221-A381 HydrophobicContact CG2-CB 3.8Å; A223-A381 VanDerWaalsContact O-CA 3.31Å; A223-A381 WeakPolarHBondContact O-CA 3.18Å; A224-A381 HydrophobicContact CB-CB 3.72Å; L365-A381 HydrophobicContact CB-CB 4.5Å; L365-A381 PolarHBondContact N-O 3.25Å; L365-A381 PolarHBondContact O-N 3.39Å; Y379-A381 HydrophobicContact CD2-CB 4.03Å; Y379-A381 HydrophobicContact CE2-CB 4.26Å
382	G	98.2	Very high	96.6	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.6	-142.2	-178.3	0	0	0	0	0	111	E222 A223	E222-G382 PolarHBondContact N-O 2.93Å; A223-G382 PolarHBondContact N-O 3.45Å; A223-G382 VanDerWaalsContact N-O 3.12Å; A223-G382 PolarHBondContact O-N 3.32Å
383	R	98.4	Very high	96.5	Very high	109 Å²	109	38.8 Å²	38.8	41%	0.411	19%	0.193	S	C	.	.			trans	-65.6	147.7	176.6	-61.9	-170.8	-59.9	123	17.5	111.6	D385 L386 V387	R383-D385 VanDerWaalsContact C-N 3.3Å; R383-D385 WeakPolarHBondContact CB-OD1 3.27Å; R383-D385 IonicContact CZ-OD1 2.77Å; R383-D385 IonicContact CZ-OD2 3.17Å; R383-D385 IonicContact NE-OD1 2.96Å; R383-D385 IonicContact NH1-OD1 2.61Å; R383-D385 PolarHBondContact NH1-OD1 3.23Å; R383-D385 IonicContact NH1-OD2 2.76Å; R383-D385 PolarHBondContact NH1-OD2 2.77Å; R383-D385 IonicContact NH2-OD1 2.64Å; R383-D385 PolarHBondContact NH2-OD1 3.07Å; R383-D385 IonicContact NH2-OD2 2.75Å; R383-D385 PolarHBondContact NH2-OD2 2.85Å; R383-D385 PolarHBondContact O-N 2.96Å; R383-L386 WeakPolarHBondContact O-CB 3.32Å; R383-L386 PolarHBondContact O-N 3.42Å; R383-V387 PolarHBondContact O-N 2.91Å
384	K	98.3	Very high	96.3	Very high	103 Å²	103	38.8 Å²	38.8	45%	0.448	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-38.8	-178.3	-171.5	-174.2	-173.1	-30.7	0	112.2	E222 A223 L386 V387 D388	E222-K384 HydrophobicContact CB-CB 4.14Å; E222-K384 WeakPolarHBondContact OE2-CB 3.45Å; E222-K384 PolarHBondContact OE2-N 3.24Å; A223-K384 HydrophobicContact CB-CB 4.31Å; A223-K384 HydrophobicContact CB-CG 4.33Å; K384-L386 VanDerWaalsContact C-N 3.33Å; K384-L386 PolarHBondContact O-N 3.47Å; K384-V387 PolarHBondContact O-N 2.96Å; K384-D388 VanDerWaalsContact NZ-CG 3.29Å; K384-D388 IonicContact NZ-OD1 3.48Å; K384-D388 PolarHBondContact NZ-OD1 2.86Å; K384-D388 IonicContact NZ-OD2 2.7Å; K384-D388 PolarHBondContact NZ-OD2 2.82Å; K384-D388 WeakPolarHBondContact O-CB 3.43Å; K384-D388 PolarHBondContact O-N 2.79Å
385	D	98.1	Very high	96.3	Very high	84 Å²	84	41.7 Å²	41.7	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-39.4	178.6	67.3	-20.2	0	0	0	112.6	R383 Y389	R383-D385 VanDerWaalsContact C-N 3.3Å; R383-D385 WeakPolarHBondContact CB-OD1 3.27Å; R383-D385 IonicContact CZ-OD1 2.77Å; R383-D385 IonicContact CZ-OD2 3.17Å; R383-D385 IonicContact NE-OD1 2.96Å; R383-D385 IonicContact NH1-OD1 2.61Å; R383-D385 PolarHBondContact NH1-OD1 3.23Å; R383-D385 IonicContact NH1-OD2 2.76Å; R383-D385 PolarHBondContact NH1-OD2 2.77Å; R383-D385 IonicContact NH2-OD1 2.64Å; R383-D385 PolarHBondContact NH2-OD1 3.07Å; R383-D385 IonicContact NH2-OD2 2.75Å; R383-D385 PolarHBondContact NH2-OD2 2.85Å; R383-D385 PolarHBondContact O-N 2.96Å; D385-Y389 VanDerWaalsContact O-CB 3.25Å; D385-Y389 WeakPolarHBondContact O-CB 3.44Å; D385-Y389 PolarHBondContact O-N 2.92Å
386	L	97.7	Very high	96	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-49.6	173.4	167	69.3	0	0	0	111.3	L241 D363 V364 R383 K384 Y389 L390	L241-L386 HydrophobicContact CD2-CD1 3.49Å; L241-L386 VanDerWaalsContact CD2-CD1 3.49Å; D363-L386 WeakPolarHBondContact O-CD2 3.44Å; V364-L386 HydrophobicContact CB-CD2 4.37Å; V364-L386 HydrophobicContact CG1-CD2 4.36Å; V364-L386 HydrophobicContact CG2-CD1 4.4Å; V364-L386 HydrophobicContact CG2-CD2 3.86Å; R383-L386 WeakPolarHBondContact O-CB 3.32Å; R383-L386 PolarHBondContact O-N 3.42Å; K384-L386 VanDerWaalsContact C-N 3.33Å; K384-L386 PolarHBondContact O-N 3.47Å; L386-Y389 WeakPolarHBondContact O-CB 3.42Å; L386-Y389 PolarHBondContact O-N 3.43Å; L386-L390 HydrophobicContact CD1-CD1 4.03Å; L386-L390 HydrophobicContact CD1-CG 4.29Å; L386-L390 HydrophobicContact CG-CD1 4.22Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 3.44Å
387	V	98	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-43.9	-175.9	173.7	0	0	0	0	110.8	A223 M225 R383 K384 Y389 L390 R391	A223-V387 HydrophobicContact CB-CB 3.84Å; A223-V387 HydrophobicContact CB-CG1 4.02Å; A223-V387 HydrophobicContact CB-CG2 3.84Å; M225-V387 HydrophobicContact CB-CG1 3.92Å; R383-V387 PolarHBondContact O-N 2.91Å; K384-V387 PolarHBondContact O-N 2.96Å; V387-Y389 VanDerWaalsContact C-N 3.31Å; V387-Y389 PolarHBondContact O-N 2.85Å; V387-L390 PolarHBondContact O-N 3.16Å; V387-R391 WeakPolarHBondContact O-CG 3.45Å; V387-R391 PolarHBondContact O-N 3Å
388	D	96.9	Very high	95.5	Very high	59 Å²	59	40.8 Å²	40.8	32%	0.316	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-38.3	175.5	-71.4	-19.3	0	0	0	111.6	K384 R391	K384-D388 VanDerWaalsContact NZ-CG 3.29Å; K384-D388 IonicContact NZ-OD1 3.48Å; K384-D388 PolarHBondContact NZ-OD1 2.86Å; K384-D388 IonicContact NZ-OD2 2.7Å; K384-D388 PolarHBondContact NZ-OD2 2.82Å; K384-D388 WeakPolarHBondContact O-CB 3.43Å; K384-D388 PolarHBondContact O-N 2.79Å; D388-R391 PolarHBondContact O-N 3.4Å; D388-R391 IonicContact OD1-NH1 3.34Å; D388-R391 PolarHBondContact OD1-NH1 3.23Å
389	Y	96.9	Very high	95.1	Very high	96 Å²	96	49.3 Å²	49.3	38%	0.376	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-46.6	173.3	174.5	-91.1	0	0	0	111.7	A240 D385 L386 V387 R391 V392 H393	A240-Y389 HydrophobicContact CB-CE1 4.46Å; A240-Y389 WeakPolarHBondContact O-CE1 3.16Å; A240-Y389 PolarHBondContact O-OH 2.82Å; D385-Y389 VanDerWaalsContact O-CB 3.25Å; D385-Y389 WeakPolarHBondContact O-CB 3.44Å; D385-Y389 PolarHBondContact O-N 2.92Å; L386-Y389 WeakPolarHBondContact O-CB 3.42Å; L386-Y389 PolarHBondContact O-N 3.43Å; V387-Y389 VanDerWaalsContact C-N 3.31Å; V387-Y389 PolarHBondContact O-N 2.85Å; Y389-R391 PolarHBondContact O-N 2.87Å; Y389-V392 PolarHBondContact O-N 3.39Å; Y389-H393 AromaticContact CD2-CE1 3.75Å; Y389-H393 AromaticContact CD2-ND1 3.53Å; Y389-H393 HydrophobicContact CE1-CB 4.13Å; Y389-H393 AromaticContact CE2-CE1 3.68Å; Y389-H393 AromaticContact CE2-CG 3.86Å; Y389-H393 AromaticContact CE2-ND1 3.53Å; Y389-H393 AromaticContact CG-ND1 3.97Å; Y389-H393 AromaticContact CZ-CG 3.88Å; Y389-H393 AromaticContact CZ-ND1 3.98Å; Y389-H393 PolarHBondContact O-N 2.96Å; Y389-H393 VanDerWaalsContact O-N 3.08Å; Y389-H393 PolarHBondContact O-ND1 3.4Å
390	L	96.1	Very high	94.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-38.2	178.2	-75.8	173.4	0	0	0	112.3	N237 A240 L241 I380 L386 V387 V392 H393 S394	N237-L390 HydrophobicContact CB-CD2 4.35Å; A240-L390 HydrophobicContact CB-CD2 3.97Å; L241-L390 HydrophobicContact CD2-CD1 4.49Å; L241-L390 HydrophobicContact CD2-CD2 3.84Å; L241-L390 HydrophobicContact CD2-CG 4.24Å; L241-L390 HydrophobicContact CG-CD2 4.28Å; I380-L390 HydrophobicContact CB-CD1 4.22Å; I380-L390 HydrophobicContact CD1-CD1 3.97Å; I380-L390 HydrophobicContact CG2-CD1 3.62Å; L386-L390 HydrophobicContact CD1-CD1 4.03Å; L386-L390 HydrophobicContact CD1-CG 4.29Å; L386-L390 HydrophobicContact CG-CD1 4.22Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 3.44Å; V387-L390 PolarHBondContact O-N 3.16Å; L390-V392 PolarHBondContact O-N 3.14Å; L390-V392 VanDerWaalsContact O-N 3.1Å; L390-H393 PolarHBondContact O-N 3.41Å; L390-S394 WeakPolarHBondContact O-CA 3.48Å; L390-S394 WeakPolarHBondContact O-CB 3.49Å; L390-S394 PolarHBondContact O-N 2.81Å
391	R	93.1	Very high	94.4	Very high	89 Å²	89	55.2 Å²	55.2	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-54.4	-32.4	176.8	-79	174.3	171.6	167.8	-6.1	113.1	E212 M225 V387 D388 Y389 A397	E212-R391 IonicContact OE2-CZ 2.74Å; E212-R391 IonicContact OE2-NE 2.91Å; E212-R391 IonicContact OE2-NH2 2.66Å; E212-R391 PolarHBondContact OE2-NH2 3.19Å; M225-R391 HydrophobicContact CE-CG 4.04Å; M225-R391 HydrophobicContact CG-CG 4.47Å; M225-R391 HydrophobicContact SD-CB 4.31Å; M225-R391 HydrophobicContact SD-CG 3.56Å; M225-R391 VanDerWaalsContact SD-CG 3.56Å; V387-R391 WeakPolarHBondContact O-CG 3.45Å; V387-R391 PolarHBondContact O-N 3Å; D388-R391 PolarHBondContact O-N 3.4Å; D388-R391 IonicContact OD1-NH1 3.34Å; D388-R391 PolarHBondContact OD1-NH1 3.23Å; Y389-R391 PolarHBondContact O-N 2.87Å; R391-A397 WeakPolarHBondContact O-CB 3.12Å
392	V	93.1	Very high	94.1	Very high	75 Å²	75	55.9 Å²	55.9	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-93.9	-34.3	-178.4	-177.3	0	0	0	0	112.8	Y389 L390	Y389-V392 PolarHBondContact O-N 3.39Å; L390-V392 PolarHBondContact O-N 3.14Å; L390-V392 VanDerWaalsContact O-N 3.1Å
393	H	93.6	Very high	94	Very high	97 Å²	97	56 Å²	56	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-107.8	-12.6	-168.8	-60.4	85.8	0	0	0	114.6	A240 Y389 L390 H395	A240-H393 HydrophobicContact CB-CB 4.4Å; Y389-H393 AromaticContact CD2-CE1 3.75Å; Y389-H393 AromaticContact CD2-ND1 3.53Å; Y389-H393 HydrophobicContact CE1-CB 4.13Å; Y389-H393 AromaticContact CE2-CE1 3.68Å; Y389-H393 AromaticContact CE2-CG 3.86Å; Y389-H393 AromaticContact CE2-ND1 3.53Å; Y389-H393 AromaticContact CG-ND1 3.97Å; Y389-H393 AromaticContact CZ-CG 3.88Å; Y389-H393 AromaticContact CZ-ND1 3.98Å; Y389-H393 PolarHBondContact O-N 2.96Å; Y389-H393 VanDerWaalsContact O-N 3.08Å; Y389-H393 PolarHBondContact O-ND1 3.4Å; L390-H393 PolarHBondContact O-N 3.41Å; H393-H395 PolarHBondContact O-N 3.46Å
394	S	92.3	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.			trans	-68.3	129.5	179.9	169.2	0	0	0	0	111.6	N237 L390 S396 A397 V398	N237-S394 WeakPolarHBondContact OD1-CB 3.27Å; N237-S394 PolarHBondContact OD1-OG 3.18Å; L390-S394 WeakPolarHBondContact O-CA 3.48Å; L390-S394 WeakPolarHBondContact O-CB 3.49Å; L390-S394 PolarHBondContact O-N 2.81Å; S394-S396 PolarHBondContact O-N 3.33Å; S394-S396 PolarHBondContact OG-N 3.48Å; S394-S396 VanDerWaalsContact OG-N 3.09Å; S394-A397 WeakPolarHBondContact O-CB 3.48Å; S394-A397 PolarHBondContact O-N 3.31Å; S394-A397 VanDerWaalsContact O-N 3.11Å; S394-A397 PolarHBondContact OG-N 2.74Å; S394-V398 VanDerWaalsContact O-CG2 3.26Å; S394-V398 WeakPolarHBondContact O-CG2 3.47Å; S394-V398 PolarHBondContact O-N 3.26Å; S394-V398 VanDerWaalsContact O-N 3.11Å
395	H	91.9	Very high	93.8	Very high	78 Å²	78	47.6 Å²	47.6	36%	0.361	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-32.1	171.7	-62.7	89	0	0	0	111.9	M236 H393 V398 Y399	M236-H395 HydrophobicContact CB-CB 4.29Å; M236-H395 HydrophobicContact CE-CB 3.62Å; H393-H395 PolarHBondContact O-N 3.46Å; H395-V398 PolarHBondContact O-N 3.02Å; H395-Y399 HydrophobicContact CB-CD2 4.2Å; H395-Y399 WeakPolarHBondContact O-CB 3.44Å; H395-Y399 WeakPolarHBondContact O-CD2 3.32Å; H395-Y399 PolarHBondContact O-N 3.44Å
396	S	90.3	Very high	93.7	Very high	11 Å²	11	44.2 Å²	44.2	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-36.6	174.5	-67.8	0	0	0	0	112.4	F227 M236 S394 V398 A400	F227-S396 VanDerWaalsContact CD1-CB 3.49Å; M236-S396 WeakPolarHBondContact CB-OG 3.5Å; S394-S396 PolarHBondContact O-N 3.33Å; S394-S396 PolarHBondContact OG-N 3.48Å; S394-S396 VanDerWaalsContact OG-N 3.09Å; S396-V398 VanDerWaalsContact C-N 3.32Å; S396-A400 VanDerWaalsContact O-CB 3.25Å; S396-A400 WeakPolarHBondContact O-CB 3.33Å; S396-A400 PolarHBondContact O-N 3.25Å
397	A	88.1	Confident	93.7	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-37.3	176.7	0	0	0	0	0	112.1	R200 M225 R391 S394	R200-A397 PolarHBondContact N-O 3.42Å; M225-A397 HydrophobicContact CE-CB 3.56Å; R391-A397 WeakPolarHBondContact O-CB 3.12Å; S394-A397 WeakPolarHBondContact O-CB 3.48Å; S394-A397 PolarHBondContact O-N 3.31Å; S394-A397 VanDerWaalsContact O-N 3.11Å; S394-A397 PolarHBondContact OG-N 2.74Å
398	V	91.1	Very high	93.7	Very high	26 Å²	26	45.3 Å²	45.3	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-84.2	-40.9	-173.1	-179.6	0	0	0	0	112.7	T198 S394 H395 S396	T198-V398 WeakPolarHBondContact CG2-O 3.25Å; T198-V398 PolarHBondContact OG1-O 3.31Å; S394-V398 VanDerWaalsContact O-CG2 3.26Å; S394-V398 WeakPolarHBondContact O-CG2 3.47Å; S394-V398 PolarHBondContact O-N 3.26Å; S394-V398 VanDerWaalsContact O-N 3.11Å; H395-V398 PolarHBondContact O-N 3.02Å; S396-V398 VanDerWaalsContact C-N 3.32Å
399	Y	90.9	Very high	93.7	Very high	178 Å²	178	43 Å²	43	70%	0.698	22%	0.219	S	C	*	.	H	α-helix	trans	-118	-16.3	-166.8	-57.4	-67.6	0	0	0	114.8	H395	H395-Y399 HydrophobicContact CB-CD2 4.2Å; H395-Y399 WeakPolarHBondContact O-CB 3.44Å; H395-Y399 WeakPolarHBondContact O-CD2 3.32Å; H395-Y399 PolarHBondContact O-N 3.44Å
400	A	90.8	Very high	93.7	Very high	40 Å²	40	40.3 Å²	40.3	33%	0.331	21%	0.21	S	C	.	.	S	Bend	trans	-91.9	144.6	-179.6	0	0	0	0	0	111.3	T198 S396	T198-A400 WeakPolarHBondContact CA-O 3.11Å; T198-A400 WeakPolarHBondContact CB-O 3.33Å; S396-A400 VanDerWaalsContact O-CB 3.25Å; S396-A400 WeakPolarHBondContact O-CB 3.33Å; S396-A400 PolarHBondContact O-N 3.25Å
401	S	90.3	Very high	93.8	Very high	86 Å²	86	40.3 Å²	40.3	60%	0.601	21%	0.21	S	C	*	.	B	Isolated β-bridge	trans	-57.9	142.3	171.1	-54.4	0	0	0	0	110.8
402	S	92.8	Very high	94	Very high	15 Å²	15	36 Å²	36	11%	0.105	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-59.5	159.4	174	69.8	0	0	0	0	111.7	V195 S197 G203	V195-S402 VanDerWaalsContact CB-OG 3.3Å; V195-S402 WeakPolarHBondContact CB-OG 3.35Å; V195-S402 WeakPolarHBondContact CG2-OG 3.32Å; S197-S402 PolarHBondContact O-N 3.3Å; G203-S402 WeakPolarHBondContact O-CB 3.37Å; G203-S402 PolarHBondContact O-OG 3.23Å
403	M	94.6	Very high	94.1	Very high	7 Å²	7	36 Å²	36	3%	0.034	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-58.8	149.1	172.2	-172.9	175	-73.8	0	0	110.3	H208 L211 V226 F227 F369 I407 A408 I411	H208-M403 PolarHBondContact NE2-O 3.33Å; L211-M403 HydrophobicContact CD2-SD 3.73Å; V226-M403 HydrophobicContact CB-CE 4.21Å; F227-M403 WeakPolarHBondContact O-CE 3.48Å; F369-M403 HydrophobicContact CD2-CE 4Å; F369-M403 HydrophobicContact CE2-CE 4.17Å; M403-I407 HydrophobicContact CG-CB 4.38Å; M403-I407 HydrophobicContact CG-CG2 4.2Å; M403-I407 HydrophobicContact SD-CG2 4.29Å; M403-A408 HydrophobicContact SD-CB 4.12Å; M403-I411 HydrophobicContact CE-CD1 4.06Å; M403-I411 HydrophobicContact SD-CD1 3.66Å
404	S	96.1	Very high	94.2	Very high	34 Å²	34	32 Å²	32	24%	0.238	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-69.6	132.2	174.3	170	0	0	0	0	109.8	T193 P406 I407 A408	T193-S404 VanDerWaalsContact O-CB 3.3Å; T193-S404 WeakPolarHBondContact O-CB 3.41Å; T193-S404 PolarHBondContact O-OG 2.94Å; S404-P406 WeakPolarHBondContact OG-CD 3.26Å; S404-I407 WeakPolarHBondContact O-CB 3.36Å; S404-I407 PolarHBondContact O-N 2.95Å; S404-I407 VanDerWaalsContact O-N 3.07Å; S404-A408 PolarHBondContact O-N 3.04Å
405	P	96.6	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-44	-179.3	3	-6.6	0	0	0	114.1	V187 Y191 L205 I407 A408 E409	V187-P405 HydrophobicContact CG1-CB 3.84Å; Y191-P405 HydrophobicContact CG-CB 4.26Å; Y191-P405 HydrophobicContact CG-CG 4.5Å; L205-P405 HydrophobicContact CD1-CB 3.82Å; L205-P405 HydrophobicContact CD1-CG 3.62Å; P405-I407 VanDerWaalsContact C-N 3.27Å; P405-I407 PolarHBondContact O-N 3.25Å; P405-A408 WeakPolarHBondContact O-CB 3.35Å; P405-A408 PolarHBondContact O-N 3.12Å; P405-A408 VanDerWaalsContact O-N 3.12Å; P405-E409 PolarHBondContact O-N 2.93Å
406	P	97	Very high	94.7	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-37.3	172.2	-29.3	34.5	0	0	0	114	I184 L188 G192 S404 E409 Q410	I184-P406 HydrophobicContact CG2-CB 3.99Å; L188-P406 HydrophobicContact CB-CG 3.81Å; L188-P406 HydrophobicContact CD1-CG 3.83Å; L188-P406 HydrophobicContact CG-CG 4.43Å; G192-P406 WeakPolarHBondContact O-CD 3.25Å; S404-P406 WeakPolarHBondContact OG-CD 3.26Å; P406-E409 PolarHBondContact O-N 2.91Å; P406-Q410 PolarHBondContact O-N 2.88Å
407	I	96.8	Very high	94.9	Very high	45 Å²	45	31.8 Å²	31.8	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-40.7	175.8	-60.9	-60.6	0	0	0	110.8	A375 A376 M403 S404 P405 E409 Q410 I411	A375-I407 HydrophobicContact CB-CG2 4.3Å; A376-I407 HydrophobicContact CB-CG2 4.09Å; M403-I407 HydrophobicContact CG-CB 4.38Å; M403-I407 HydrophobicContact CG-CG2 4.2Å; M403-I407 HydrophobicContact SD-CG2 4.29Å; S404-I407 WeakPolarHBondContact O-CB 3.36Å; S404-I407 PolarHBondContact O-N 2.95Å; S404-I407 VanDerWaalsContact O-N 3.07Å; P405-I407 VanDerWaalsContact C-N 3.27Å; P405-I407 PolarHBondContact O-N 3.25Å; I407-E409 VanDerWaalsContact C-N 3.32Å; I407-E409 PolarHBondContact O-N 3.23Å; I407-Q410 WeakPolarHBondContact O-CB 3.49Å; I407-Q410 PolarHBondContact O-N 2.82Å; I407-I411 HydrophobicContact CG2-CD1 4.06Å; I407-I411 WeakPolarHBondContact O-CD1 3.5Å; I407-I411 VanDerWaalsContact O-CG1 3.3Å; I407-I411 WeakPolarHBondContact O-CG1 3.19Å; I407-I411 PolarHBondContact O-N 2.84Å; I407-I411 VanDerWaalsContact O-N 3.11Å
408	A	97.6	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-44.2	174.8	0	0	0	0	0	111.1	K207 L211 M403 S404 P405 Q410 I411 I412	K207-A408 HydrophobicContact CB-CB 4.43Å; L211-A408 HydrophobicContact CD2-CB 4.06Å; M403-A408 HydrophobicContact SD-CB 4.12Å; S404-A408 PolarHBondContact O-N 3.04Å; P405-A408 WeakPolarHBondContact O-CB 3.35Å; P405-A408 PolarHBondContact O-N 3.12Å; P405-A408 VanDerWaalsContact O-N 3.12Å; A408-Q410 PolarHBondContact O-N 3.08Å; A408-I411 PolarHBondContact O-N 2.9Å; A408-I412 VanDerWaalsContact O-CG1 3.25Å; A408-I412 WeakPolarHBondContact O-CG1 3.47Å; A408-I412 PolarHBondContact O-N 2.92Å
409	E	97.6	Very high	95.5	Very high	11 Å²	11	33.2 Å²	33.2	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-41.5	175.5	-178.3	61.2	-154.3	0	0	112.2	T183 I184 V187 K207 P405 P406 I407 I411 I412 R413	T183-E409 VanDerWaalsContact CB-OE1 3.28Å; T183-E409 WeakPolarHBondContact CB-OE1 3.36Å; T183-E409 PolarHBondContact OG1-OE1 2.77Å; I184-E409 HydrophobicContact CG1-CG 4.19Å; V187-E409 HydrophobicContact CB-CB 4.15Å; V187-E409 HydrophobicContact CB-CG 4.24Å; V187-E409 HydrophobicContact CG1-CB 4.15Å; V187-E409 HydrophobicContact CG2-CB 3.96Å; V187-E409 HydrophobicContact CG2-CG 3.76Å; K207-E409 WeakPolarHBondContact CE-OE2 3.49Å; K207-E409 IonicContact NZ-OE2 2.71Å; K207-E409 PolarHBondContact NZ-OE2 3.36Å; P405-E409 PolarHBondContact O-N 2.93Å; P406-E409 PolarHBondContact O-N 2.91Å; I407-E409 VanDerWaalsContact C-N 3.32Å; I407-E409 PolarHBondContact O-N 3.23Å; E409-I411 VanDerWaalsContact C-N 3.26Å; E409-I411 PolarHBondContact O-N 3.29Å; E409-I412 PolarHBondContact O-N 2.87Å; E409-R413 VanDerWaalsContact O-CG 3.3Å; E409-R413 WeakPolarHBondContact O-CG 3.41Å; E409-R413 PolarHBondContact O-N 3.28Å
410	Q	96.8	Very high	95.7	Very high	38 Å²	38	26.3 Å²	26.3	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-56.2	-42	174.1	-171.9	-173.7	-5.1	0	0	112	I184 G374 A375 P406 I407 A408 S414	I184-Q410 HydrophobicContact CD1-CB 3.74Å; I184-Q410 HydrophobicContact CD1-CG 3.85Å; I184-Q410 HydrophobicContact CG1-CB 4.35Å; G374-Q410 PolarHBondContact O-NE2 3.38Å; A375-Q410 HydrophobicContact CB-CG 4.28Å; P406-Q410 PolarHBondContact O-N 2.88Å; I407-Q410 WeakPolarHBondContact O-CB 3.49Å; I407-Q410 PolarHBondContact O-N 2.82Å; A408-Q410 PolarHBondContact O-N 3.08Å; Q410-S414 PolarHBondContact O-N 2.66Å; Q410-S414 VanDerWaalsContact O-N 3.11Å; Q410-S414 PolarHBondContact O-OG 3.29Å
411	I	97.6	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.8	-42.7	179.2	-58.6	157.5	0	0	0	110.8	L211 F369 A375 M403 I407 A408 E409 R413 S414 L415	L211-I411 HydrophobicContact CD1-CB 3.85Å; L211-I411 HydrophobicContact CD1-CG2 3.41Å; L211-I411 VanDerWaalsContact CD1-CG2 3.41Å; L211-I411 HydrophobicContact CD2-CB 4.35Å; L211-I411 HydrophobicContact CD2-CD1 4.08Å; L211-I411 HydrophobicContact CD2-CG2 4.45Å; F369-I411 HydrophobicContact CB-CD1 3.76Å; F369-I411 HydrophobicContact CB-CG1 3.99Å; F369-I411 HydrophobicContact CD1-CD1 4.22Å; F369-I411 HydrophobicContact CD1-CG1 4.25Å; F369-I411 HydrophobicContact CD1-CG2 3.45Å; F369-I411 VanDerWaalsContact CD1-CG2 3.45Å; F369-I411 HydrophobicContact CD2-CD1 3.56Å; F369-I411 HydrophobicContact CD2-CG1 4.44Å; F369-I411 HydrophobicContact CE1-CG2 3.49Å; F369-I411 VanDerWaalsContact CE1-CG2 3.49Å; F369-I411 HydrophobicContact CE2-CD1 4.17Å; F369-I411 HydrophobicContact CG-CD1 3.58Å; F369-I411 HydrophobicContact CG-CG1 3.99Å; F369-I411 HydrophobicContact CG-CG2 3.99Å; F369-I411 HydrophobicContact CZ-CG2 4.06Å; A375-I411 HydrophobicContact CB-CD1 4.14Å; A375-I411 HydrophobicContact CB-CG1 3.52Å; M403-I411 HydrophobicContact CE-CD1 4.06Å; M403-I411 HydrophobicContact SD-CD1 3.66Å; I407-I411 HydrophobicContact CG2-CD1 4.06Å; I407-I411 WeakPolarHBondContact O-CD1 3.5Å; I407-I411 VanDerWaalsContact O-CG1 3.3Å; I407-I411 WeakPolarHBondContact O-CG1 3.19Å; I407-I411 PolarHBondContact O-N 2.84Å; I407-I411 VanDerWaalsContact O-N 3.11Å; A408-I411 PolarHBondContact O-N 2.9Å; E409-I411 VanDerWaalsContact C-N 3.26Å; E409-I411 PolarHBondContact O-N 3.29Å; I411-R413 VanDerWaalsContact C-N 3.29Å; I411-R413 PolarHBondContact O-N 3.22Å; I411-S414 WeakPolarHBondContact O-CB 3.47Å; I411-S414 PolarHBondContact O-N 3.36Å; I411-S414 VanDerWaalsContact O-N 3.09Å; I411-L415 HydrophobicContact CG2-CD1 3.96Å; I411-L415 HydrophobicContact CG2-CG 4.33Å; I411-L415 WeakPolarHBondContact O-CG 3.38Å; I411-L415 PolarHBondContact O-N 2.77Å
412	I	97.9	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-53.7	-48.5	175	-74.8	164	0	0	0	110.2	K207 E210 L211 L214 A408 E409 S414 L415 K416	K207-I412 HydrophobicContact CD-CD1 3.97Å; E210-I412 HydrophobicContact CB-CD1 4.1Å; E210-I412 HydrophobicContact CG-CD1 3.96Å; E210-I412 HydrophobicContact CG-CG1 4.38Å; E210-I412 WeakPolarHBondContact OE1-CG2 3.4Å; L211-I412 HydrophobicContact CB-CD1 4.1Å; L211-I412 HydrophobicContact CB-CG1 3.88Å; L211-I412 HydrophobicContact CD1-CG1 4.09Å; L214-I412 HydrophobicContact CD1-CB 4.19Å; L214-I412 HydrophobicContact CD1-CG1 4.06Å; L214-I412 HydrophobicContact CD1-CG2 3.69Å; A408-I412 VanDerWaalsContact O-CG1 3.25Å; A408-I412 WeakPolarHBondContact O-CG1 3.47Å; A408-I412 PolarHBondContact O-N 2.92Å; E409-I412 PolarHBondContact O-N 2.87Å; I412-S414 PolarHBondContact O-N 2.71Å; I412-L415 PolarHBondContact O-N 3.13Å; I412-K416 HydrophobicContact CG2-CD 4Å; I412-K416 WeakPolarHBondContact O-CB 3.4Å; I412-K416 WeakPolarHBondContact O-CG 3.33Å; I412-K416 PolarHBondContact O-N 2.96Å
413	R	96.1	Very high	95.8	Very high	75 Å²	75	31 Å²	31	28%	0.283	18%	0.181	S	C	.	.	H	α-helix	trans	-59.2	-46.7	175.7	-69.8	178.7	66.7	66.2	16.5	111.9	S180 T183 E409 I411 L415 K416 H417	S180-R413 PolarHBondContact O-NH1 2.87Å; S180-R413 PolarHBondContact O-NH2 2.86Å; T183-R413 VanDerWaalsContact OG1-CD 3.22Å; T183-R413 WeakPolarHBondContact OG1-CD 3.36Å; T183-R413 PolarHBondContact OG1-NH1 2.95Å; E409-R413 VanDerWaalsContact O-CG 3.3Å; E409-R413 WeakPolarHBondContact O-CG 3.41Å; E409-R413 PolarHBondContact O-N 3.28Å; I411-R413 VanDerWaalsContact C-N 3.29Å; I411-R413 PolarHBondContact O-N 3.22Å; R413-L415 VanDerWaalsContact C-N 3.33Å; R413-L415 PolarHBondContact O-N 2.8Å; R413-K416 PolarHBondContact O-N 2.93Å; R413-H417 VanDerWaalsContact O-CB 3.31Å; R413-H417 WeakPolarHBondContact O-CB 3.24Å; R413-H417 PolarHBondContact O-N 2.87Å
414	S	95.8	Very high	95.7	Very high	11 Å²	11	33 Å²	33	8%	0.077	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-42	-179.8	-59.7	0	0	0	0	112	Q410 I411 I412 H417 L418	Q410-S414 PolarHBondContact O-N 2.66Å; Q410-S414 VanDerWaalsContact O-N 3.11Å; Q410-S414 PolarHBondContact O-OG 3.29Å; I411-S414 WeakPolarHBondContact O-CB 3.47Å; I411-S414 PolarHBondContact O-N 3.36Å; I411-S414 VanDerWaalsContact O-N 3.09Å; I412-S414 PolarHBondContact O-N 2.71Å; S414-H417 PolarHBondContact O-N 3.28Å; S414-L418 WeakPolarHBondContact O-CG 3.42Å; S414-L418 PolarHBondContact O-N 3.49Å
415	L	97.3	Very high	95.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-46.8	175.6	-71.3	166.7	0	0	0	111.6	L211 L214 V215 F218 F373 I411 I412 R413 H417 L418 M419	L211-L415 HydrophobicContact CD1-CD1 3.7Å; L214-L415 HydrophobicContact CB-CD1 4.09Å; V215-L415 HydrophobicContact CG2-CD1 3.73Å; F218-L415 HydrophobicContact CB-CD2 3.95Å; F218-L415 HydrophobicContact CD1-CD2 3.84Å; F218-L415 HydrophobicContact CD2-CD2 4.29Å; F218-L415 HydrophobicContact CE1-CD2 4.43Å; F218-L415 HydrophobicContact CG-CD2 3.76Å; F373-L415 HydrophobicContact CE1-CD2 3.62Å; F373-L415 HydrophobicContact CE1-CG 4.19Å; F373-L415 HydrophobicContact CZ-CD2 4.08Å; I411-L415 HydrophobicContact CG2-CD1 3.96Å; I411-L415 HydrophobicContact CG2-CG 4.33Å; I411-L415 WeakPolarHBondContact O-CG 3.38Å; I411-L415 PolarHBondContact O-N 2.77Å; I412-L415 PolarHBondContact O-N 3.13Å; R413-L415 VanDerWaalsContact C-N 3.33Å; R413-L415 PolarHBondContact O-N 2.8Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 2.8Å; L415-L418 PolarHBondContact O-N 3.28Å; L415-M419 WeakPolarHBondContact O-CB 3.22Å; L415-M419 WeakPolarHBondContact O-CG 3.13Å; L415-M419 PolarHBondContact O-N 3.44Å
416	K	96.4	Very high	95.5	Very high	60 Å²	60	40.8 Å²	40.8	26%	0.261	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-41.3	176.3	-75.3	176.1	-178.2	168.5	0	111.5	E210 L214 I412 R413 M419 G420 M421	E210-K416 IonicContact OE1-NZ 2.87Å; E210-K416 PolarHBondContact OE1-NZ 3.21Å; L214-K416 HydrophobicContact CD1-CG 4.33Å; I412-K416 HydrophobicContact CG2-CD 4Å; I412-K416 WeakPolarHBondContact O-CB 3.4Å; I412-K416 WeakPolarHBondContact O-CG 3.33Å; I412-K416 PolarHBondContact O-N 2.96Å; R413-K416 PolarHBondContact O-N 2.93Å; K416-M419 CarbonylContact O-C 3.33Å; K416-M419 PolarHBondContact O-N 3.05Å; K416-G420 PolarHBondContact O-N 3.4Å; K416-G420 VanDerWaalsContact O-N 3.09Å; K416-M421 HydrophobicContact CB-CB 4.03Å; K416-M421 HydrophobicContact CG-CB 4.13Å; K416-M421 PolarHBondContact O-N 2.85Å
417	H	94.1	Very high	95.3	Very high	24 Å²	24	40.1 Å²	40.1	11%	0.111	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-46.9	176.7	-171.9	66.8	0	0	0	112.4	R413 S414 L415 M419 G420 D422 Q426 G427	R413-H417 VanDerWaalsContact O-CB 3.31Å; R413-H417 WeakPolarHBondContact O-CB 3.24Å; R413-H417 PolarHBondContact O-N 2.87Å; S414-H417 PolarHBondContact O-N 3.28Å; L415-H417 VanDerWaalsContact C-N 3.26Å; L415-H417 PolarHBondContact O-N 2.8Å; H417-M419 VanDerWaalsContact C-N 3.28Å; H417-M419 PolarHBondContact O-N 2.99Å; H417-G420 PolarHBondContact O-N 2.88Å; H417-D422 IonicContact CE1-OD2 3.72Å; H417-D422 IonicContact CG-OD2 3.84Å; H417-D422 IonicContact ND1-OD2 3.49Å; H417-D422 PolarHBondContact ND1-OD2 3.17Å; H417-Q426 WeakPolarHBondContact CE1-CB 3.27Å; H417-G427 VanDerWaalsContact CD2-CA 3.46Å; H417-G427 WeakPolarHBondContact CD2-CA 3.39Å; H417-G427 PolarHBondContact NE2-N 3.42Å; H417-G427 WeakPolarHBondContact O-CA 3.46Å
418	L	95.6	Very high	95.2	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-34.3	176	-75.5	175.2	0	0	0	112.8	L171 F218 F373 S414 L415 G420 V431	L171-L418 HydrophobicContact CD1-CD1 3.82Å; L171-L418 HydrophobicContact CD1-CD2 3.79Å; L171-L418 HydrophobicContact CD1-CG 4.23Å; L171-L418 HydrophobicContact CD2-CD2 4.47Å; F218-L418 HydrophobicContact CE2-CB 4.13Å; F218-L418 HydrophobicContact CE2-CD1 4.42Å; F218-L418 HydrophobicContact CZ-CD1 4.17Å; F373-L418 HydrophobicContact CD1-CD1 4.42Å; F373-L418 HydrophobicContact CE1-CD1 3.75Å; F373-L418 HydrophobicContact CZ-CD1 4.49Å; S414-L418 WeakPolarHBondContact O-CG 3.42Å; S414-L418 PolarHBondContact O-N 3.49Å; L415-L418 PolarHBondContact O-N 3.28Å; L418-G420 VanDerWaalsContact C-N 3.32Å; L418-V431 HydrophobicContact CD2-CG2 3.74Å
419	M	96.3	Very high	95.2	Very high	47 Å²	47	45.4 Å²	45.4	23%	0.232	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.1	-179.9	-65.2	173.7	69.9	0	0	113.8	K217 F218 L415 K416 H417 M421	K217-M419 HydrophobicContact CB-CE 4.28Å; K217-M419 HydrophobicContact CD-CE 3.69Å; K217-M419 HydrophobicContact CG-CE 3.69Å; F218-M419 HydrophobicContact CB-SD 3.97Å; F218-M419 HydrophobicContact CD2-CG 3.65Å; F218-M419 HydrophobicContact CD2-SD 4Å; F218-M419 HydrophobicContact CE2-CG 4.31Å; F218-M419 HydrophobicContact CG-SD 4.47Å; L415-M419 WeakPolarHBondContact O-CB 3.22Å; L415-M419 WeakPolarHBondContact O-CG 3.13Å; L415-M419 PolarHBondContact O-N 3.44Å; K416-M419 CarbonylContact O-C 3.33Å; K416-M419 PolarHBondContact O-N 3.05Å; H417-M419 VanDerWaalsContact C-N 3.28Å; H417-M419 PolarHBondContact O-N 2.99Å; M419-M421 HydrophobicContact CB-CG 3.85Å; M419-M421 HydrophobicContact CB-SD 4.22Å; M419-M421 HydrophobicContact CE-SD 3.84Å; M419-M421 PolarHBondContact O-N 3.41Å; M419-M421 HydrophobicContact SD-SD 4.19Å
420	G	95.1	Very high	95.1	Very high	33 Å²	33	48.8 Å²	48.8	34%	0.34	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	19.2	-174.4	0	0	0	0	0	114.1	K416 H417 L418 D422 G423 T424	K416-G420 PolarHBondContact O-N 3.4Å; K416-G420 VanDerWaalsContact O-N 3.09Å; H417-G420 PolarHBondContact O-N 2.88Å; L418-G420 VanDerWaalsContact C-N 3.32Å; G420-D422 PolarHBondContact O-N 2.88Å; G420-G423 PolarHBondContact O-N 2.91Å; G420-G423 VanDerWaalsContact O-N 3.17Å; G420-T424 VanDerWaalsContact CA-O 3.31Å; G420-T424 WeakPolarHBondContact CA-O 3.42Å
421	M	95.3	Very high	95.1	Very high	92 Å²	92	47.2 Å²	47.2	45%	0.453	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.4	178.2	-67.4	-175.8	63	0	0	112.7	L214 K416 M419 G423	L214-M421 HydrophobicContact CD2-CE 4.32Å; L214-M421 HydrophobicContact CD2-SD 4.04Å; K416-M421 HydrophobicContact CB-CB 4.03Å; K416-M421 HydrophobicContact CG-CB 4.13Å; K416-M421 PolarHBondContact O-N 2.85Å; M419-M421 HydrophobicContact CB-CG 3.85Å; M419-M421 HydrophobicContact CB-SD 4.22Å; M419-M421 HydrophobicContact CE-SD 3.84Å; M419-M421 PolarHBondContact O-N 3.41Å; M419-M421 HydrophobicContact SD-SD 4.19Å; M421-G423 VanDerWaalsContact C-N 3.25Å
422	D	89.6	Confident	95.1	Very high	71 Å²	71	54.3 Å²	54.3	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	3	169.5	64.8	-1.6	0	0	0	112.9	H417 G420 T424	H417-D422 IonicContact CE1-OD2 3.72Å; H417-D422 IonicContact CG-OD2 3.84Å; H417-D422 IonicContact ND1-OD2 3.49Å; H417-D422 PolarHBondContact ND1-OD2 3.17Å; G420-D422 PolarHBondContact O-N 2.88Å; D422-T424 VanDerWaalsContact C-N 3.3Å; D422-T424 VanDerWaalsContact CG-OG1 3.29Å; D422-T424 PolarHBondContact OD1-N 3.43Å; D422-T424 PolarHBondContact OD1-OG1 3.1Å; D422-T424 PolarHBondContact OD2-OG1 3.07Å
423	G	91.1	Very high	95.1	Very high	76 Å²	76	57.9 Å²	57.9	78%	0.784	30%	0.303	S	S	*	.	S	Bend	trans	81	6.5	-178	0	0	0	0	0	114	G420 M421	G420-G423 PolarHBondContact O-N 2.91Å; G420-G423 VanDerWaalsContact O-N 3.17Å; M421-G423 VanDerWaalsContact C-N 3.25Å
424	T	92.9	Very high	95.2	Very high	48 Å²	48	54.4 Å²	54.4	29%	0.294	29%	0.289	S	S	.	.			trans	-114	164.9	-179	80.8	0	0	0	0	112.2	G420 D422 Q426	G420-T424 VanDerWaalsContact CA-O 3.31Å; G420-T424 WeakPolarHBondContact CA-O 3.42Å; D422-T424 VanDerWaalsContact C-N 3.3Å; D422-T424 VanDerWaalsContact CG-OG1 3.29Å; D422-T424 PolarHBondContact OD1-N 3.43Å; D422-T424 PolarHBondContact OD1-OG1 3.1Å; D422-T424 PolarHBondContact OD2-OG1 3.07Å; T424-Q426 PolarHBondContact OG1-N 3.21Å
425	T	94.3	Very high	95.3	Very high	92 Å²	92	55.3 Å²	55.3	56%	0.564	30%	0.298	S	S	*	.	S	Bend	trans	-103.5	6.6	171.6	57	0	0	0	0	112.7	G427 L428 Q429	T425-G427 PolarHBondContact O-N 3.31Å; T425-L428 PolarHBondContact O-N 2.62Å; T425-Q429 WeakPolarHBondContact O-CG 3.34Å; T425-Q429 PolarHBondContact O-N 2.9Å; T425-Q429 PolarHBondContact OG1-NE2 2.96Å
426	Q	93.3	Very high	95.3	Very high	106 Å²	106	61.2 Å²	61.2	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-37.6	-171.9	-74	-175.3	-5.3	0	0	112.9	H417 T424 L428 Q429 R430	H417-Q426 WeakPolarHBondContact CE1-CB 3.27Å; T424-Q426 PolarHBondContact OG1-N 3.21Å; Q426-L428 PolarHBondContact O-N 3.46Å; Q426-Q429 WeakPolarHBondContact O-CB 3.4Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q426-R430 WeakPolarHBondContact O-CG 3.43Å; Q426-R430 PolarHBondContact O-N 3.48Å
427	G	94.1	Very high	95.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-44.9	176.3	0	0	0	0	0	112.3	H417 T425 R430 V431	H417-G427 VanDerWaalsContact CD2-CA 3.46Å; H417-G427 WeakPolarHBondContact CD2-CA 3.39Å; H417-G427 PolarHBondContact NE2-N 3.42Å; H417-G427 WeakPolarHBondContact O-CA 3.46Å; T425-G427 PolarHBondContact O-N 3.31Å; G427-R430 WeakPolarHBondContact O-CB 3.48Å; G427-R430 PolarHBondContact O-N 2.86Å; G427-V431 PolarHBondContact O-N 3.08Å
428	L	94.8	Very high	95.6	Very high	47 Å²	47	57.7 Å²	57.7	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-37.6	175.7	-174.6	60.7	0	0	0	112	P346 T347 T425 Q426 R430 V431 R432	P346-L428 VanDerWaalsContact O-CD1 3.28Å; P346-L428 WeakPolarHBondContact O-CD1 3.49Å; T347-L428 HydrophobicContact CG2-CD1 4.2Å; T425-L428 PolarHBondContact O-N 2.62Å; Q426-L428 PolarHBondContact O-N 3.46Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.98Å; L428-V431 PolarHBondContact O-N 2.93Å; L428-R432 WeakPolarHBondContact O-CG 3.4Å; L428-R432 PolarHBondContact O-N 2.9Å
429	Q	96.6	Very high	95.6	Very high	109 Å²	109	62.3 Å²	62.3	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-40.3	173.3	-71	172.3	-1.2	0	0	111.6	T425 Q426 R432 Q433	T425-Q429 WeakPolarHBondContact O-CG 3.34Å; T425-Q429 PolarHBondContact O-N 2.9Å; T425-Q429 PolarHBondContact OG1-NE2 2.96Å; Q426-Q429 WeakPolarHBondContact O-CB 3.4Å; Q426-Q429 PolarHBondContact O-N 3.04Å; Q429-R432 PolarHBondContact O-N 3.32Å; Q429-Q433 WeakPolarHBondContact O-CB 3.39Å; Q429-Q433 PolarHBondContact O-N 3.19Å
430	R	96.4	Very high	95.7	Very high	83 Å²	83	61.5 Å²	61.5	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-43.7	175.2	-74.3	177.5	176.3	-103.2	0.3	112.4	L171 G172 Q426 G427 L428 R432 Q433 L434 A506	L171-R430 HydrophobicContact CD2-CB 4.21Å; L171-R430 PolarHBondContact O-NH1 3.45Å; G172-R430 PolarHBondContact O-NH1 3.14Å; Q426-R430 WeakPolarHBondContact O-CG 3.43Å; Q426-R430 PolarHBondContact O-N 3.48Å; G427-R430 WeakPolarHBondContact O-CB 3.48Å; G427-R430 PolarHBondContact O-N 2.86Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.98Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 2.98Å; R430-Q433 PolarHBondContact O-N 3.05Å; R430-L434 PolarHBondContact O-N 3.08Å; R430-A506 HydrophobicContact CB-CB 4.04Å; R430-A506 HydrophobicContact CG-CB 4.45Å; R430-A506 VanDerWaalsContact O-CB 3.24Å; R430-A506 WeakPolarHBondContact O-CB 3.41Å
431	V	97.2	Very high	95.8	Very high	5 Å²	5	60 Å²	60	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-46	175.3	175.8	0	0	0	0	110.7	L171 L418 G427 L428 Q433 L434 A435	L171-V431 HydrophobicContact CD2-CG2 3.88Å; L418-V431 HydrophobicContact CD2-CG2 3.74Å; G427-V431 PolarHBondContact O-N 3.08Å; L428-V431 PolarHBondContact O-N 2.93Å; V431-Q433 PolarHBondContact O-N 2.87Å; V431-L434 PolarHBondContact O-N 3.25Å; V431-A435 PolarHBondContact O-N 3.41Å; V431-A435 VanDerWaalsContact O-N 3.11Å
432	R	97.1	Very high	95.9	Very high	148 Å²	148	55.6 Å²	55.6	56%	0.558	28%	0.282	S	S	*	.	H	α-helix	trans	-63.8	-40.4	176.8	-68.9	174.5	-177	175.8	-0.3	112.1	L428 Q429 R430 A435 K436	L428-R432 WeakPolarHBondContact O-CG 3.4Å; L428-R432 PolarHBondContact O-N 2.9Å; Q429-R432 PolarHBondContact O-N 3.32Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-R432 PolarHBondContact O-N 2.98Å; R432-A435 PolarHBondContact O-N 3.45Å; R432-K436 WeakPolarHBondContact O-CG 3.47Å; R432-K436 PolarHBondContact O-N 2.83Å
433	Q	98	Very high	96.1	Very high	76 Å²	76	56.5 Å²	56.5	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-44.6	178.3	-172.5	62.1	42.9	0	0	111.2	Q429 R430 V431 A435 K436 N437 A506	Q429-Q433 WeakPolarHBondContact O-CB 3.39Å; Q429-Q433 PolarHBondContact O-N 3.19Å; R430-Q433 PolarHBondContact O-N 3.05Å; V431-Q433 PolarHBondContact O-N 2.87Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 2.82Å; Q433-K436 PolarHBondContact O-N 3.48Å; Q433-N437 PolarHBondContact NE2-OD1 3.17Å; Q433-N437 WeakPolarHBondContact O-CB 3.3Å; Q433-N437 VanDerWaalsContact O-CG 3.31Å; Q433-N437 PolarHBondContact O-N 2.76Å; Q433-A506 HydrophobicContact CB-CB 4.44Å; Q433-A506 WeakPolarHBondContact CG-O 3.36Å
434	L	98.3	Very high	96.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-51.6	173.4	176.7	61.3	0	0	0	110.8	F170 A343 R430 V431 K436 N437 T438 P459 V504 A506	F170-L434 HydrophobicContact CB-CD1 4.49Å; F170-L434 HydrophobicContact CB-CD2 3.84Å; A343-L434 HydrophobicContact CB-CD2 4.21Å; R430-L434 PolarHBondContact O-N 3.08Å; V431-L434 PolarHBondContact O-N 3.25Å; L434-K436 VanDerWaalsContact C-N 3.3Å; L434-K436 PolarHBondContact O-N 3.17Å; L434-N437 PolarHBondContact O-N 3.03Å; L434-T438 WeakPolarHBondContact O-CB 3.31Å; L434-T438 PolarHBondContact O-N 3.17Å; L434-T438 PolarHBondContact O-OG1 3Å; L434-P459 HydrophobicContact CD1-CB 3.94Å; L434-P459 HydrophobicContact CD2-CB 4.5Å; L434-P459 HydrophobicContact CG-CB 4.44Å; L434-V504 WeakPolarHBondContact CD1-O 3.17Å; L434-A506 HydrophobicContact CB-CB 4.1Å
435	A	97.4	Very high	96.6	Very high	30 Å²	30	55 Å²	55	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-39	-179.6	0	0	0	0	0	112.6	V431 R432 Q433 R439	V431-A435 PolarHBondContact O-N 3.41Å; V431-A435 VanDerWaalsContact O-N 3.11Å; R432-A435 PolarHBondContact O-N 3.45Å; Q433-A435 VanDerWaalsContact C-N 3.34Å; Q433-A435 PolarHBondContact O-N 2.82Å; A435-R439 WeakPolarHBondContact O-CG 3.32Å; A435-R439 PolarHBondContact O-N 3.41Å; A435-R439 VanDerWaalsContact O-N 3.15Å
436	K	97.8	Very high	96.5	Very high	127 Å²	127	53.8 Å²	53.8	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-65.1	-49.6	174.2	-73.8	179.8	179.2	-170.7	0	111.7	R432 Q433 L434 T438 R439 Y440	R432-K436 WeakPolarHBondContact O-CG 3.47Å; R432-K436 PolarHBondContact O-N 2.83Å; Q433-K436 PolarHBondContact O-N 3.48Å; L434-K436 VanDerWaalsContact C-N 3.3Å; L434-K436 PolarHBondContact O-N 3.17Å; K436-T438 VanDerWaalsContact C-N 3.33Å; K436-T438 PolarHBondContact O-N 2.75Å; K436-R439 PolarHBondContact O-N 3.19Å; K436-Y440 VanDerWaalsContact O-CB 3.3Å; K436-Y440 WeakPolarHBondContact O-CB 3.38Å; K436-Y440 PolarHBondContact O-N 2.85Å
437	N	98.4	Very high	96.5	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-43.9	179.3	-75.9	-3.8	0	0	0	111.5	Q433 L434 Y440 F441 V504 S505 H508 L513	Q433-N437 PolarHBondContact NE2-OD1 3.17Å; Q433-N437 WeakPolarHBondContact O-CB 3.3Å; Q433-N437 VanDerWaalsContact O-CG 3.31Å; Q433-N437 PolarHBondContact O-N 2.76Å; L434-N437 PolarHBondContact O-N 3.03Å; N437-Y440 PolarHBondContact O-N 2.88Å; N437-F441 VanDerWaalsContact O-CB 3.3Å; N437-F441 WeakPolarHBondContact O-CB 3.11Å; N437-F441 PolarHBondContact O-N 3.29Å; N437-V504 HydrophobicContact CB-CG1 3.55Å; N437-S505 PolarHBondContact ND2-O 3.02Å; N437-H508 PolarHBondContact ND2-O 3.3Å; N437-L513 HydrophobicContact CB-CD1 3.87Å
438	T	97.5	Very high	96.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-54.1	178.5	-65.9	0	0	0	0	111.4	L434 K436 Y440 F441 R442 S458	L434-T438 WeakPolarHBondContact O-CB 3.31Å; L434-T438 PolarHBondContact O-N 3.17Å; L434-T438 PolarHBondContact O-OG1 3Å; K436-T438 VanDerWaalsContact C-N 3.33Å; K436-T438 PolarHBondContact O-N 2.75Å; T438-Y440 VanDerWaalsContact C-N 3.31Å; T438-Y440 PolarHBondContact O-N 3.41Å; T438-F441 PolarHBondContact O-N 2.77Å; T438-R442 HydrophobicContact CG2-CG 4.47Å; T438-R442 WeakPolarHBondContact O-CB 3.42Å; T438-R442 VanDerWaalsContact O-CG 3.26Å; T438-R442 WeakPolarHBondContact O-CG 3.3Å; T438-R442 PolarHBondContact O-N 2.95Å; T438-S458 WeakPolarHBondContact CG2-O 3.48Å
439	R	96.5	Very high	96.5	Very high	107 Å²	107	53 Å²	53	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-43.9	179.1	-74.4	-169.6	-62.9	-89.2	0	111.6	A435 K436 R442 Q443	A435-R439 WeakPolarHBondContact O-CG 3.32Å; A435-R439 PolarHBondContact O-N 3.41Å; A435-R439 VanDerWaalsContact O-N 3.15Å; K436-R439 PolarHBondContact O-N 3.19Å; R439-R442 PolarHBondContact O-N 2.59Å; R439-Q443 VanDerWaalsContact O-CB 3.23Å; R439-Q443 WeakPolarHBondContact O-CB 3.46Å; R439-Q443 PolarHBondContact O-N 2.84Å
440	Y	97.9	Very high	96.5	Very high	31 Å²	31	48 Å²	48	12%	0.122	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-54	177.3	172.4	-117.6	0	0	0	112	K436 N437 T438 R442 Q443 R444 R510 L513 D514 L517	K436-Y440 VanDerWaalsContact O-CB 3.3Å; K436-Y440 WeakPolarHBondContact O-CB 3.38Å; K436-Y440 PolarHBondContact O-N 2.85Å; N437-Y440 PolarHBondContact O-N 2.88Å; T438-Y440 VanDerWaalsContact C-N 3.31Å; T438-Y440 PolarHBondContact O-N 3.41Å; Y440-R442 VanDerWaalsContact C-N 3.35Å; Y440-R442 PolarHBondContact O-N 3.42Å; Y440-Q443 PolarHBondContact O-N 2.83Å; Y440-R444 HydrophobicContact CD2-CG 3.79Å; Y440-R444 HydrophobicContact CE1-CG 4.34Å; Y440-R444 HydrophobicContact CE2-CG 3.17Å; Y440-R444 WeakPolarHBondContact O-CG 3.5Å; Y440-R444 PolarHBondContact O-N 3.48Å; Y440-R510 VanDerWaalsContact CD1-NH1 3.28Å; Y440-R510 VanDerWaalsContact CD2-CZ 3.44Å; Y440-R510 VanDerWaalsContact CE1-NE 3.25Å; Y440-R510 VanDerWaalsContact CZ-NH1 3.33Å; Y440-R510 PolarHBondContact OH-NE 2.96Å; Y440-R510 PolarHBondContact OH-NH2 2.75Å; Y440-L513 HydrophobicContact CD1-CB 4.33Å; Y440-L513 HydrophobicContact CD1-CD1 4Å; Y440-L513 HydrophobicContact CE1-CB 4.1Å; Y440-D514 VanDerWaalsContact CE1-OD1 3.32Å; Y440-D514 WeakPolarHBondContact CE1-OD1 3.48Å; Y440-D514 VanDerWaalsContact CZ-OD1 3.27Å; Y440-D514 PolarHBondContact OH-OD1 3.31Å; Y440-L517 HydrophobicContact CE1-CD1 3.7Å
441	F	98.1	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-43.9	-176.7	-172.7	-108.3	0	0	0	111.6	M165 N437 T438 R444 L445 V461 F502 V504 L513 V516 L517 L520	M165-F441 HydrophobicContact CE-CE1 4.11Å; M165-F441 HydrophobicContact CE-CE2 3.99Å; M165-F441 HydrophobicContact CE-CZ 3.77Å; N437-F441 VanDerWaalsContact O-CB 3.3Å; N437-F441 WeakPolarHBondContact O-CB 3.11Å; N437-F441 PolarHBondContact O-N 3.29Å; T438-F441 PolarHBondContact O-N 2.77Å; F441-R444 PolarHBondContact O-N 3.1Å; F441-L445 HydrophobicContact CD1-CD1 3.91Å; F441-L445 HydrophobicContact CE1-CD1 3.48Å; F441-L445 VanDerWaalsContact CE1-CD1 3.48Å; F441-L445 HydrophobicContact CE1-CG 4.34Å; F441-L445 HydrophobicContact CZ-CD1 3.88Å; F441-L445 HydrophobicContact CZ-CG 4.4Å; F441-L445 WeakPolarHBondContact O-CG 3.48Å; F441-L445 PolarHBondContact O-N 2.98Å; F441-L445 VanDerWaalsContact O-N 3.12Å; F441-V461 HydrophobicContact CD1-CB 4.36Å; F441-V461 HydrophobicContact CD1-CG1 4.27Å; F441-V461 HydrophobicContact CD1-CG2 4.25Å; F441-V461 HydrophobicContact CE1-CB 4.42Å; F441-V461 HydrophobicContact CE1-CG1 4.31Å; F441-F502 HydrophobicContact CE1-CB 3.76Å; F441-F502 HydrophobicContact CE1-CD1 4.17Å; F441-F502 HydrophobicContact CE1-CD2 4.45Å; F441-F502 AromaticContact CE1-CG 3.88Å; F441-F502 HydrophobicContact CE1-CG 3.88Å; F441-F502 HydrophobicContact CZ-CB 4.35Å; F441-F502 AromaticContact CZ-CD1 3.89Å; F441-F502 HydrophobicContact CZ-CD1 3.89Å; F441-F502 HydrophobicContact CZ-CE1 4.47Å; F441-F502 HydrophobicContact CZ-CG 4.04Å; F441-V504 HydrophobicContact CB-CG2 4.2Å; F441-V504 HydrophobicContact CD1-CG2 3.81Å; F441-V504 HydrophobicContact CG-CG2 4.18Å; F441-L513 HydrophobicContact CD2-CD2 4.15Å; F441-V516 HydrophobicContact CE2-CB 4.46Å; F441-V516 HydrophobicContact CE2-CG1 3.87Å; F441-V516 HydrophobicContact CZ-CG1 4.12Å; F441-L517 HydrophobicContact CD2-CD1 4.38Å; F441-L517 HydrophobicContact CD2-CD2 3.82Å; F441-L517 HydrophobicContact CD2-CG 3.96Å; F441-L517 HydrophobicContact CE2-CD2 3.78Å; F441-L517 HydrophobicContact CE2-CG 3.98Å; F441-L520 HydrophobicContact CE2-CD1 4.17Å; F441-L520 HydrophobicContact CZ-CD1 3.82Å
442	R	96.4	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-48.1	177.5	-69.3	-177.1	70.7	88.1	6	112.3	T438 R439 Y440 R444 L445 Q446 I452 Y453 G454 N455 E456 V461	T438-R442 HydrophobicContact CG2-CG 4.47Å; T438-R442 WeakPolarHBondContact O-CB 3.42Å; T438-R442 VanDerWaalsContact O-CG 3.26Å; T438-R442 WeakPolarHBondContact O-CG 3.3Å; T438-R442 PolarHBondContact O-N 2.95Å; R439-R442 PolarHBondContact O-N 2.59Å; Y440-R442 VanDerWaalsContact C-N 3.35Å; Y440-R442 PolarHBondContact O-N 3.42Å; R442-R444 VanDerWaalsContact C-N 3.32Å; R442-R444 PolarHBondContact O-N 3.01Å; R442-L445 PolarHBondContact O-N 2.91Å; R442-Q446 WeakPolarHBondContact O-CG 3.29Å; R442-Q446 PolarHBondContact O-N 2.97Å; R442-I452 HydrophobicContact CB-CD1 3.92Å; R442-I452 HydrophobicContact CG-CD1 4.17Å; R442-Y453 PolarHBondContact NH1-O 3.47Å; R442-Y453 VanDerWaalsContact NH1-O 3.11Å; R442-Y453 PolarHBondContact NH2-O 2.97Å; R442-G454 PolarHBondContact NH2-O 3.41Å; R442-N455 PolarHBondContact NE-O 3.3Å; R442-N455 PolarHBondContact NH1-O 3.13Å; R442-E456 WeakPolarHBondContact CB-OE2 3.37Å; R442-E456 IonicContact CZ-OE1 2.88Å; R442-E456 IonicContact NE-OE1 2.93Å; R442-E456 PolarHBondContact NE-OE1 2.85Å; R442-E456 IonicContact NE-OE2 3.4Å; R442-E456 IonicContact NH2-OE1 3.74Å; R442-V461 HydrophobicContact CG-CB 4.42Å; R442-V461 HydrophobicContact CG-CG1 3.96Å; R442-V461 HydrophobicContact CG-CG2 3.55Å
443	Q	94.9	Very high	96.2	Very high	91 Å²	91	37.9 Å²	37.9	43%	0.425	18%	0.175	S	C	.	.	H	α-helix	trans	-57.3	-46.6	178.7	179.9	-178.5	-6.6	0	0	111.1	R439 Y440 L445 Q446 E447	R439-Q443 VanDerWaalsContact O-CB 3.23Å; R439-Q443 WeakPolarHBondContact O-CB 3.46Å; R439-Q443 PolarHBondContact O-N 2.84Å; Y440-Q443 PolarHBondContact O-N 2.83Å; Q443-L445 PolarHBondContact O-N 3.08Å; Q443-Q446 PolarHBondContact O-N 3.28Å; Q443-E447 HydrophobicContact CG-CG 4.47Å; Q443-E447 VanDerWaalsContact CG-OE1 3.29Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.41Å; Q443-E447 PolarHBondContact NE2-OE1 3.28Å; Q443-E447 WeakPolarHBondContact O-CG 3.34Å; Q443-E447 PolarHBondContact O-N 3.22Å
444	R	96.9	Very high	95.9	Very high	91 Å²	91	34.2 Å²	34.2	34%	0.343	16%	0.158	S	C	.	.	H	α-helix	trans	-64.6	-39.2	179.9	-65.8	-60.8	-65.8	157.5	-1.2	113	Y440 F441 R442 Q446 E447 M448 L517	Y440-R444 HydrophobicContact CD2-CG 3.79Å; Y440-R444 HydrophobicContact CE1-CG 4.34Å; Y440-R444 HydrophobicContact CE2-CG 3.17Å; Y440-R444 WeakPolarHBondContact O-CG 3.5Å; Y440-R444 PolarHBondContact O-N 3.48Å; F441-R444 PolarHBondContact O-N 3.1Å; R442-R444 VanDerWaalsContact C-N 3.32Å; R442-R444 PolarHBondContact O-N 3.01Å; R444-Q446 VanDerWaalsContact C-N 3.34Å; R444-Q446 PolarHBondContact O-N 2.9Å; R444-E447 WeakPolarHBondContact CD-OE2 3.48Å; R444-E447 IonicContact CZ-OE2 2.8Å; R444-E447 IonicContact NE-OE2 3.2Å; R444-E447 IonicContact NH1-OE2 3.18Å; R444-E447 PolarHBondContact NH1-OE2 3.4Å; R444-E447 PolarHBondContact O-N 3.11Å; R444-M448 VanDerWaalsContact O-CG 3.25Å; R444-M448 WeakPolarHBondContact O-CG 3.45Å; R444-M448 PolarHBondContact O-N 2.79Å; R444-L517 HydrophobicContact CB-CD1 3.6Å; R444-L517 HydrophobicContact CB-CD2 3.65Å; R444-L517 HydrophobicContact CB-CG 4.26Å; R444-L517 HydrophobicContact CG-CD1 3.76Å
445	L	96.3	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-39.6	175	-69.1	179	0	0	0	112.6	F441 R442 Q443 M448 G449 F450 I452 V461 L463 L517 L520	F441-L445 HydrophobicContact CD1-CD1 3.91Å; F441-L445 HydrophobicContact CE1-CD1 3.48Å; F441-L445 VanDerWaalsContact CE1-CD1 3.48Å; F441-L445 HydrophobicContact CE1-CG 4.34Å; F441-L445 HydrophobicContact CZ-CD1 3.88Å; F441-L445 HydrophobicContact CZ-CG 4.4Å; F441-L445 WeakPolarHBondContact O-CG 3.48Å; F441-L445 PolarHBondContact O-N 2.98Å; F441-L445 VanDerWaalsContact O-N 3.12Å; R442-L445 PolarHBondContact O-N 2.91Å; Q443-L445 PolarHBondContact O-N 3.08Å; L445-M448 PolarHBondContact O-N 3.31Å; L445-G449 PolarHBondContact O-N 3.02Å; L445-F450 HydrophobicContact CB-CD2 4.44Å; L445-F450 HydrophobicContact CD2-CD2 3.91Å; L445-F450 HydrophobicContact CD2-CE2 4.29Å; L445-F450 WeakPolarHBondContact O-CB 3.35Å; L445-F450 WeakPolarHBondContact O-CD2 3.3Å; L445-F450 PolarHBondContact O-N 3.15Å; L445-I452 HydrophobicContact CB-CD1 4.49Å; L445-I452 HydrophobicContact CB-CG2 4.06Å; L445-I452 HydrophobicContact CD1-CG2 4.04Å; L445-V461 HydrophobicContact CD1-CG1 3.88Å; L445-L463 HydrophobicContact CD1-CD1 4.3Å; L445-L463 HydrophobicContact CD2-CD1 4.09Å; L445-L517 HydrophobicContact CD2-CD2 3.77Å; L445-L517 HydrophobicContact CG-CD2 4.07Å; L445-L520 HydrophobicContact CD2-CB 4.45Å; L445-L520 HydrophobicContact CD2-CD1 3.63Å
446	Q	93.2	Very high	95.5	Very high	67 Å²	67	35.4 Å²	35.4	31%	0.313	16%	0.159	S	C	.	.	H	α-helix	trans	-64.2	-44	174.3	-70.7	170.1	-3.8	0	0	111.1	R442 Q443 R444 M448 G449 I452 E456	R442-Q446 WeakPolarHBondContact O-CG 3.29Å; R442-Q446 PolarHBondContact O-N 2.97Å; Q443-Q446 PolarHBondContact O-N 3.28Å; R444-Q446 VanDerWaalsContact C-N 3.34Å; R444-Q446 PolarHBondContact O-N 2.9Å; Q446-M448 VanDerWaalsContact C-N 3.28Å; Q446-M448 PolarHBondContact O-N 2.55Å; Q446-G449 PolarHBondContact O-N 3.09Å; Q446-I452 HydrophobicContact CG-CD1 3.77Å; Q446-I452 HydrophobicContact CG-CG1 3.96Å; Q446-E456 PolarHBondContact NE2-OE1 3Å
447	E	93.2	Very high	95.3	Very high	92 Å²	92	32 Å²	32	43%	0.43	15%	0.146	S	C	.	.	H	α-helix	trans	-62.6	-33.2	177.3	-72.9	169.8	-177.8	0	0	112.7	Q443 R444 G449	Q443-E447 HydrophobicContact CG-CG 4.47Å; Q443-E447 VanDerWaalsContact CG-OE1 3.29Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.41Å; Q443-E447 PolarHBondContact NE2-OE1 3.28Å; Q443-E447 WeakPolarHBondContact O-CG 3.34Å; Q443-E447 PolarHBondContact O-N 3.22Å; R444-E447 WeakPolarHBondContact CD-OE2 3.48Å; R444-E447 IonicContact CZ-OE2 2.8Å; R444-E447 IonicContact NE-OE2 3.2Å; R444-E447 IonicContact NH1-OE2 3.18Å; R444-E447 PolarHBondContact NH1-OE2 3.4Å; R444-E447 PolarHBondContact O-N 3.11Å; E447-G449 PolarHBondContact O-N 3.28Å
448	M	94.8	Very high	95.1	Very high	30 Å²	30	31.6 Å²	31.6	15%	0.148	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.7	173.2	-70.4	169.6	173.7	0	0	113.5	R444 L445 Q446 F450 L517 D521 K530	R444-M448 VanDerWaalsContact O-CG 3.25Å; R444-M448 WeakPolarHBondContact O-CG 3.45Å; R444-M448 PolarHBondContact O-N 2.79Å; L445-M448 PolarHBondContact O-N 3.31Å; Q446-M448 VanDerWaalsContact C-N 3.28Å; Q446-M448 PolarHBondContact O-N 2.55Å; M448-F450 HydrophobicContact CB-CD2 3.69Å; M448-F450 HydrophobicContact CB-CE2 3.68Å; M448-F450 HydrophobicContact CG-CE2 4.49Å; M448-F450 HydrophobicContact SD-CE2 4.11Å; M448-L517 HydrophobicContact CE-CB 3.86Å; M448-L517 HydrophobicContact CE-CD2 4.32Å; M448-L517 WeakPolarHBondContact CE-O 3.22Å; M448-L517 HydrophobicContact SD-CD2 4.22Å; M448-D521 HydrophobicContact CE-CB 4Å; M448-D521 HydrophobicContact SD-CB 4.1Å; M448-K530 VanDerWaalsContact O-CD 3.26Å; M448-K530 WeakPolarHBondContact O-CD 3.22Å; M448-K530 VanDerWaalsContact O-CG 3.32Å; M448-K530 WeakPolarHBondContact O-CG 3.42Å
449	G	94.6	Very high	95.1	Very high	16 Å²	16	31.6 Å²	31.6	17%	0.165	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	17.8	178.2	0	0	0	0	0	114.8	L445 Q446 E447 K530 Y531 S532	L445-G449 PolarHBondContact O-N 3.02Å; Q446-G449 PolarHBondContact O-N 3.09Å; E447-G449 PolarHBondContact O-N 3.28Å; G449-K530 CarbonylContact O-C 3.52Å; G449-K530 VanDerWaalsContact O-CA 3.22Å; G449-K530 WeakPolarHBondContact O-CA 3.34Å; G449-Y531 PolarHBondContact O-N 3.23Å; G449-Y531 VanDerWaalsContact O-N 3.08Å; G449-S532 VanDerWaalsContact O-CB 3.28Å; G449-S532 WeakPolarHBondContact O-CB 3.33Å; G449-S532 PolarHBondContact O-N 3.45Å
450	F	95.5	Very high	95.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.009	13%	0.125	C	C	.	.			trans	-76.2	144.9	172.1	-66.9	-76.1	0	0	0	111.6	L445 M448 I452 L463 L520 L529 K530	L445-F450 HydrophobicContact CB-CD2 4.44Å; L445-F450 HydrophobicContact CD2-CD2 3.91Å; L445-F450 HydrophobicContact CD2-CE2 4.29Å; L445-F450 WeakPolarHBondContact O-CB 3.35Å; L445-F450 WeakPolarHBondContact O-CD2 3.3Å; L445-F450 PolarHBondContact O-N 3.15Å; M448-F450 HydrophobicContact CB-CD2 3.69Å; M448-F450 HydrophobicContact CB-CE2 3.68Å; M448-F450 HydrophobicContact CG-CE2 4.49Å; M448-F450 HydrophobicContact SD-CE2 4.11Å; F450-I452 HydrophobicContact CB-CG2 4.34Å; F450-L463 HydrophobicContact CB-CD1 4.18Å; F450-L463 HydrophobicContact CB-CG 4.23Å; F450-L463 HydrophobicContact CD1-CD1 3.83Å; F450-L463 HydrophobicContact CD1-CD2 4.01Å; F450-L463 HydrophobicContact CD1-CG 4.09Å; F450-L463 HydrophobicContact CD2-CD1 4.31Å; F450-L463 HydrophobicContact CE1-CD1 4.28Å; F450-L463 HydrophobicContact CG-CD1 3.84Å; F450-L463 HydrophobicContact CG-CG 4.27Å; F450-L520 HydrophobicContact CE2-CB 4.45Å; F450-L520 VanDerWaalsContact CZ-O 3.29Å; F450-L520 WeakPolarHBondContact CZ-O 3.47Å; F450-L529 HydrophobicContact CD1-CB 4.25Å; F450-L529 HydrophobicContact CE1-CB 3.86Å; F450-K530 HydrophobicContact CE1-CG 4.21Å; F450-K530 HydrophobicContact CZ-CG 4.15Å
451	I	95	Very high	95.1	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.119	C	C	.	.			trans	-81.9	117.8	164.9	-64.2	176.2	0	0	0	107.5	E56 Y453 L464 Y466	E56-I451 HydrophobicContact CB-CG1 4.49Å; E56-I451 HydrophobicContact CB-CG2 4.16Å; E56-I451 HydrophobicContact CG-CD1 4.27Å; E56-I451 HydrophobicContact CG-CG1 4.4Å; I451-Y453 HydrophobicContact CG2-CD1 4.26Å; I451-Y453 HydrophobicContact CG2-CE1 3.86Å; I451-L464 HydrophobicContact CB-CB 4.43Å; I451-L464 HydrophobicContact CG2-CB 4.33Å; I451-L464 HydrophobicContact CG2-CD2 4.14Å; I451-L464 HydrophobicContact CG2-CG 4.08Å; I451-L464 WeakPolarHBondContact O-CD2 2.95Å; I451-L464 PolarHBondContact O-N 3.41Å; I451-Y466 WeakPolarHBondContact CD1-OH 3.47Å
452	I	95.2	Very high	95	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-122.1	145.3	172.7	66.5	170.8	0	0	0	110.8	S54 R442 L445 Q446 F450 V461 P462 L463	S54-I452 PolarHBondContact OG-O 2.79Å; R442-I452 HydrophobicContact CB-CD1 3.92Å; R442-I452 HydrophobicContact CG-CD1 4.17Å; L445-I452 HydrophobicContact CB-CD1 4.49Å; L445-I452 HydrophobicContact CB-CG2 4.06Å; L445-I452 HydrophobicContact CD1-CG2 4.04Å; Q446-I452 HydrophobicContact CG-CD1 3.77Å; Q446-I452 HydrophobicContact CG-CG1 3.96Å; F450-I452 HydrophobicContact CB-CG2 4.34Å; I452-V461 HydrophobicContact CB-CG1 4.46Å; I452-V461 HydrophobicContact CD1-CG1 4.17Å; I452-V461 HydrophobicContact CG2-CG1 4.4Å; I452-P462 VanDerWaalsContact CA-O 3.23Å; I452-P462 WeakPolarHBondContact CA-O 3.42Å; I452-L463 HydrophobicContact CG2-CB 4.28Å; I452-L463 HydrophobicContact CG2-CG 4.42Å
453	Y	94	Very high	95	Very high	20 Å²	20	25 Å²	25	8%	0.078	12%	0.119	C	C	.	.			trans	-98.4	163.1	179.8	-75.5	1.1	0	0	0	113.9	S54 F55 E313 R442 I451 P462 L464	S54-Y453 CarbonylContact O-C 3.44Å; S54-Y453 VanDerWaalsContact O-CA 3.24Å; S54-Y453 WeakPolarHBondContact O-CA 3.27Å; F55-Y453 HydrophobicContact CD1-CD1 4.03Å; F55-Y453 AromaticContact CD1-CD2 3.81Å; F55-Y453 HydrophobicContact CD1-CD2 3.81Å; F55-Y453 HydrophobicContact CD1-CE1 4.44Å; F55-Y453 HydrophobicContact CD1-CE2 4.22Å; F55-Y453 AromaticContact CD1-CG 3.72Å; F55-Y453 HydrophobicContact CD1-CG 3.72Å; F55-Y453 HydrophobicContact CE1-CD2 4.09Å; F55-Y453 HydrophobicContact CE1-CG 4.11Å; E313-Y453 CarbonylContact O-C 3.53Å; R442-Y453 PolarHBondContact NH1-O 3.47Å; R442-Y453 VanDerWaalsContact NH1-O 3.11Å; R442-Y453 PolarHBondContact NH2-O 2.97Å; I451-Y453 HydrophobicContact CG2-CD1 4.26Å; I451-Y453 HydrophobicContact CG2-CE1 3.86Å; Y453-P462 PolarHBondContact N-O 2.74Å; Y453-P462 WeakPolarHBondContact O-CD 3.16Å; Y453-L464 HydrophobicContact CD1-CD2 3.58Å; Y453-L464 HydrophobicContact CD1-CG 4.3Å; Y453-L464 HydrophobicContact CD2-CD1 4.31Å; Y453-L464 HydrophobicContact CD2-CD2 3.99Å; Y453-L464 HydrophobicContact CE1-CD1 4.45Å; Y453-L464 HydrophobicContact CE1-CD2 3.77Å; Y453-L464 HydrophobicContact CE1-CG 3.97Å; Y453-L464 HydrophobicContact CE2-CD1 3.88Å; Y453-L464 HydrophobicContact CE2-CD2 4.19Å; Y453-L464 HydrophobicContact CE2-CG 4.28Å; Y453-L464 HydrophobicContact CG-CD2 3.69Å
454	G	92.6	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.1	-162.9	166.9	0	0	0	0	0	114.8	S54 E313 G314 R442	S54-G454 PolarHBondContact N-O 3.23Å; S54-G454 PolarHBondContact O-N 2.84Å; E313-G454 WeakPolarHBondContact O-CA 3.38Å; E313-G454 PolarHBondContact O-N 3.09Å; G314-G454 WeakPolarHBondContact O-CA 3.28Å; R442-G454 PolarHBondContact NH2-O 3.41Å
455	N	93.9	Very high	95	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.032	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.4	-174.9	-167.2	-85.8	0	0	0	112.5	I51 G314 I316 R442 N457 S458	I51-N455 VanDerWaalsContact CG2-ND2 3.27Å; I51-N455 WeakPolarHBondContact CG2-ND2 3.36Å; G314-N455 PolarHBondContact O-N 3.15Å; I316-N455 HydrophobicContact CB-CB 4.32Å; I316-N455 HydrophobicContact CD1-CB 3.86Å; I316-N455 HydrophobicContact CG1-CB 3.8Å; R442-N455 PolarHBondContact NE-O 3.3Å; R442-N455 PolarHBondContact NH1-O 3.13Å; N455-N457 PolarHBondContact O-N 2.96Å; N455-N457 VanDerWaalsContact O-N 3.13Å; N455-N457 WeakPolarHBondContact OD1-CB 3.49Å; N455-N457 PolarHBondContact OD1-N 2.98Å; N455-N457 PolarHBondContact OD1-ND2 3.43Å; N455-S458 WeakPolarHBondContact O-CB 3.49Å; N455-S458 PolarHBondContact O-N 3.34Å
456	E	92.3	Very high	94.8	Very high	50 Å²	50	16.4 Å²	16.4	23%	0.234	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.1	176.2	-69.3	-53.4	125	0	0	114.9	R442 Q446	R442-E456 WeakPolarHBondContact CB-OE2 3.37Å; R442-E456 IonicContact CZ-OE1 2.88Å; R442-E456 IonicContact NE-OE1 2.93Å; R442-E456 PolarHBondContact NE-OE1 2.85Å; R442-E456 IonicContact NE-OE2 3.4Å; R442-E456 IonicContact NH2-OE1 3.74Å; Q446-E456 PolarHBondContact NE2-OE1 3Å
457	N	93.4	Very high	94.8	Very high	55 Å²	55	15.4 Å²	15.4	29%	0.294	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.6	178.9	-56.7	-76	0	0	0	113.3	I316 V344 F354 N455	I316-N457 HydrophobicContact CD1-CB 4.2Å; V344-N457 WeakPolarHBondContact CG1-O 3.13Å; F354-N457 HydrophobicContact CE2-CB 3.8Å; F354-N457 HydrophobicContact CZ-CB 4.25Å; N455-N457 PolarHBondContact O-N 2.96Å; N455-N457 VanDerWaalsContact O-N 3.13Å; N455-N457 WeakPolarHBondContact OD1-CB 3.49Å; N455-N457 PolarHBondContact OD1-N 2.98Å; N455-N457 PolarHBondContact OD1-ND2 3.43Å
458	S	96	Very high	94.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.			trans	-82.3	125.5	177.9	171.9	0	0	0	0	110.6	G314 T438 N455 V460	G314-S458 WeakPolarHBondContact CA-OG 3.31Å; G314-S458 WeakPolarHBondContact O-CB 3.34Å; G314-S458 PolarHBondContact O-OG 3.47Å; T438-S458 WeakPolarHBondContact CG2-O 3.48Å; N455-S458 WeakPolarHBondContact O-CB 3.49Å; N455-S458 PolarHBondContact O-N 3.34Å; S458-V460 PolarHBondContact O-N 3.45Å; S458-V460 PolarHBondContact OG-N 3.28Å; S458-V460 PolarHBondContact OG-O 3.02Å
459	P	96.4	Very high	94.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	9%	0.088	C	C	.	.	S	Bend	trans	-72.4	-7.6	176	34.5	-39.5	0	0	0	113.1	F170 A343 L434 C503 V504	F170-P459 HydrophobicContact CD1-CB 3.77Å; F170-P459 HydrophobicContact CD1-CG 3.76Å; F170-P459 HydrophobicContact CD2-CG 4.29Å; F170-P459 HydrophobicContact CE1-CB 3.82Å; F170-P459 HydrophobicContact CE1-CG 3.6Å; F170-P459 HydrophobicContact CE2-CG 4.15Å; F170-P459 HydrophobicContact CG-CB 4.44Å; F170-P459 HydrophobicContact CG-CG 4.11Å; F170-P459 HydrophobicContact CZ-CG 3.81Å; A343-P459 HydrophobicContact CB-CG 3.94Å; L434-P459 HydrophobicContact CD1-CB 3.94Å; L434-P459 HydrophobicContact CD2-CB 4.5Å; L434-P459 HydrophobicContact CG-CB 4.44Å; P459-C503 WeakPolarHBondContact O-CA 3.5Å; P459-V504 PolarHBondContact O-N 3.15Å
460	V	97.4	Very high	94.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.2	170.4	-177.6	0	0	0	0	107.9	F170 S311 S458 P462 R501	F170-V460 HydrophobicContact CE1-CG2 4.39Å; F170-V460 HydrophobicContact CZ-CG2 3.92Å; S311-V460 WeakPolarHBondContact O-CG1 3.15Å; S458-V460 PolarHBondContact O-N 3.45Å; S458-V460 PolarHBondContact OG-N 3.28Å; S458-V460 PolarHBondContact OG-O 3.02Å; V460-P462 HydrophobicContact CG1-CG 4.46Å; V460-P462 WeakPolarHBondContact O-CD 3.16Å; V460-R501 HydrophobicContact CG1-CG 3.72Å
461	V	97.3	Very high	94.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	94.4	-176.6	-173.7	0	0	0	0	108.9	F441 R442 L445 I452 F502 V504	F441-V461 HydrophobicContact CD1-CB 4.36Å; F441-V461 HydrophobicContact CD1-CG1 4.27Å; F441-V461 HydrophobicContact CD1-CG2 4.25Å; F441-V461 HydrophobicContact CE1-CB 4.42Å; F441-V461 HydrophobicContact CE1-CG1 4.31Å; R442-V461 HydrophobicContact CG-CB 4.42Å; R442-V461 HydrophobicContact CG-CG1 3.96Å; R442-V461 HydrophobicContact CG-CG2 3.55Å; L445-V461 HydrophobicContact CD1-CG1 3.88Å; I452-V461 HydrophobicContact CB-CG1 4.46Å; I452-V461 HydrophobicContact CD1-CG1 4.17Å; I452-V461 HydrophobicContact CG2-CG1 4.4Å; V461-F502 HydrophobicContact CB-CB 4.2Å; V461-F502 PolarHBondContact N-O 3.3Å; V461-F502 WeakPolarHBondContact O-CB 3.34Å; V461-F502 PolarHBondContact O-N 3.28Å; V461-V504 HydrophobicContact CG2-CG2 4.2Å
462	P	96.2	Very high	94.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.8	178.6	-0.2	19.2	0	0	0	110	M312 E313 I452 Y453 V460 R499	M312-P462 WeakPolarHBondContact O-CB 3.46Å; M312-P462 WeakPolarHBondContact O-CG 3.28Å; E313-P462 WeakPolarHBondContact O-CG 3.38Å; I452-P462 VanDerWaalsContact CA-O 3.23Å; I452-P462 WeakPolarHBondContact CA-O 3.42Å; Y453-P462 PolarHBondContact N-O 2.74Å; Y453-P462 WeakPolarHBondContact O-CD 3.16Å; V460-P462 HydrophobicContact CG1-CG 4.46Å; V460-P462 WeakPolarHBondContact O-CD 3.16Å; P462-R499 HydrophobicContact CB-CG 4.43Å
463	L	96.6	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.8	175.1	-175.4	161.5	0	0	0	109.5	L445 F450 I452 L465 R499 A500 F502 L520	L445-L463 HydrophobicContact CD1-CD1 4.3Å; L445-L463 HydrophobicContact CD2-CD1 4.09Å; F450-L463 HydrophobicContact CB-CD1 4.18Å; F450-L463 HydrophobicContact CB-CG 4.23Å; F450-L463 HydrophobicContact CD1-CD1 3.83Å; F450-L463 HydrophobicContact CD1-CD2 4.01Å; F450-L463 HydrophobicContact CD1-CG 4.09Å; F450-L463 HydrophobicContact CD2-CD1 4.31Å; F450-L463 HydrophobicContact CE1-CD1 4.28Å; F450-L463 HydrophobicContact CG-CD1 3.84Å; F450-L463 HydrophobicContact CG-CG 4.27Å; I452-L463 HydrophobicContact CG2-CB 4.28Å; I452-L463 HydrophobicContact CG2-CG 4.42Å; L463-L465 HydrophobicContact CD2-CD2 3.59Å; L463-L465 HydrophobicContact CD2-CG 4.44Å; L463-R499 CarbonylContact O-C 3.55Å; L463-R499 WeakPolarHBondContact O-CA 3.45Å; L463-R499 VanDerWaalsContact O-CB 3.25Å; L463-R499 WeakPolarHBondContact O-CB 3.47Å; L463-A500 PolarHBondContact N-O 2.84Å; L463-A500 PolarHBondContact O-N 3.34Å; L463-F502 HydrophobicContact CB-CD2 4.17Å; L463-F502 HydrophobicContact CB-CE2 3.98Å; L463-F502 HydrophobicContact CD1-CE2 4.19Å; L463-L520 HydrophobicContact CD1-CD2 4.43Å
464	L	95.5	Very high	94.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.4	-170.6	-73	-68.6	0	0	0	111	I451 Y453 Y466 E497 R499	I451-L464 HydrophobicContact CB-CB 4.43Å; I451-L464 HydrophobicContact CG2-CB 4.33Å; I451-L464 HydrophobicContact CG2-CD2 4.14Å; I451-L464 HydrophobicContact CG2-CG 4.08Å; I451-L464 WeakPolarHBondContact O-CD2 2.95Å; I451-L464 PolarHBondContact O-N 3.41Å; Y453-L464 HydrophobicContact CD1-CD2 3.58Å; Y453-L464 HydrophobicContact CD1-CG 4.3Å; Y453-L464 HydrophobicContact CD2-CD1 4.31Å; Y453-L464 HydrophobicContact CD2-CD2 3.99Å; Y453-L464 HydrophobicContact CE1-CD1 4.45Å; Y453-L464 HydrophobicContact CE1-CD2 3.77Å; Y453-L464 HydrophobicContact CE1-CG 3.97Å; Y453-L464 HydrophobicContact CE2-CD1 3.88Å; Y453-L464 HydrophobicContact CE2-CD2 4.19Å; Y453-L464 HydrophobicContact CE2-CG 4.28Å; Y453-L464 HydrophobicContact CG-CD2 3.69Å; L464-Y466 HydrophobicContact CB-CD2 4.3Å; L464-Y466 HydrophobicContact CB-CE1 3.98Å; L464-Y466 HydrophobicContact CB-CE2 3.62Å; L464-Y466 VanDerWaalsContact CB-CZ 3.44Å; L464-Y466 HydrophobicContact CD1-CE1 4.34Å; L464-Y466 HydrophobicContact CG-CE1 4.31Å; L464-E497 HydrophobicContact CD1-CB 4.42Å; L464-R499 HydrophobicContact CD1-CB 4.28Å
465	L	95.1	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.			trans	-108.2	-27.5	-179	-60.2	-177.9	0	0	0	112.8	L463 M467 V471 F474 V487 A498 A500 L529	L463-L465 HydrophobicContact CD2-CD2 3.59Å; L463-L465 HydrophobicContact CD2-CG 4.44Å; L465-M467 PolarHBondContact O-N 3.01Å; L465-V471 HydrophobicContact CB-CG2 4.01Å; L465-V471 HydrophobicContact CD1-CG2 4.23Å; L465-F474 HydrophobicContact CD1-CB 4.09Å; L465-F474 HydrophobicContact CD1-CD1 3.95Å; L465-F474 HydrophobicContact CD1-CG 3.98Å; L465-F474 HydrophobicContact CD2-CD1 4.44Å; L465-F474 HydrophobicContact CD2-CD2 3.84Å; L465-F474 HydrophobicContact CD2-CE2 4.03Å; L465-F474 HydrophobicContact CD2-CG 4.04Å; L465-F474 HydrophobicContact CD2-CZ 4.39Å; L465-V487 HydrophobicContact CD1-CG1 3.99Å; L465-A498 PolarHBondContact N-O 3.25Å; L465-A500 HydrophobicContact CD1-CB 4.02Å; L465-A500 HydrophobicContact CG-CB 4.4Å; L465-L529 HydrophobicContact CD2-CD1 3.61Å; L465-L529 HydrophobicContact CD2-CD2 4.17Å; L465-L529 HydrophobicContact CD2-CG 4.49Å
466	Y	93.6	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.			trans	62.4	-82.5	179.1	-50.7	-77	0	0	0	114.3	A58 V62 T66 I451 L464 A496 A498 Y531	A58-Y466 HydrophobicContact CB-CD1 4.18Å; A58-Y466 HydrophobicContact CB-CE1 3.44Å; A58-Y466 VanDerWaalsContact CB-CE1 3.44Å; A58-Y466 HydrophobicContact CB-CE2 4.47Å; V62-Y466 HydrophobicContact CG1-CD1 4.27Å; V62-Y466 HydrophobicContact CG1-CD2 3.6Å; V62-Y466 HydrophobicContact CG1-CE2 4.19Å; V62-Y466 HydrophobicContact CG1-CG 3.64Å; T66-Y466 WeakPolarHBondContact OG1-CB 3.21Å; I451-Y466 WeakPolarHBondContact CD1-OH 3.47Å; L464-Y466 HydrophobicContact CB-CD2 4.3Å; L464-Y466 HydrophobicContact CB-CE1 3.98Å; L464-Y466 HydrophobicContact CB-CE2 3.62Å; L464-Y466 VanDerWaalsContact CB-CZ 3.44Å; L464-Y466 HydrophobicContact CD1-CE1 4.34Å; L464-Y466 HydrophobicContact CG-CE1 4.31Å; Y466-A496 WeakPolarHBondContact CD1-O 3.3Å; Y466-A498 PolarHBondContact N-O 3.13Å; Y466-A498 WeakPolarHBondContact O-CB 3.49Å; Y466-Y531 AromaticContact CD2-CD2 3.8Å; Y466-Y531 HydrophobicContact CD2-CD2 3.8Å; Y466-Y531 AromaticContact CD2-CE2 3.52Å; Y466-Y531 HydrophobicContact CD2-CE2 3.52Å; Y466-Y531 AromaticContact CE2-CD2 3.5Å; Y466-Y531 HydrophobicContact CE2-CD2 3.5Å; Y466-Y531 VanDerWaalsContact CE2-CD2 3.5Å; Y466-Y531 AromaticContact CE2-CE2 3.75Å; Y466-Y531 HydrophobicContact CE2-CE2 3.75Å; Y466-Y531 HydrophobicContact CE2-CG 4.37Å
467	M	91.6	Very high	94.6	Very high	46 Å²	46	19.6 Å²	19.6	23%	0.227	11%	0.114	C	C	.	.	S	Bend	trans	-67.8	131.4	-168.4	-64.6	179.6	73	0	0	112	F65 L465 G469 K470 V471	F65-M467 HydrophobicContact CB-CE 4.21Å; F65-M467 HydrophobicContact CB-SD 4.17Å; L465-M467 PolarHBondContact O-N 3.01Å; M467-G469 VanDerWaalsContact C-N 3.27Å; M467-G469 PolarHBondContact O-N 3.48Å; M467-K470 HydrophobicContact CB-CB 4.32Å; M467-K470 HydrophobicContact CB-CD 4.15Å; M467-K470 HydrophobicContact CB-CG 4Å; M467-K470 WeakPolarHBondContact O-CB 3.31Å; M467-K470 PolarHBondContact O-N 2.97Å; M467-K470 HydrophobicContact SD-CD 4.27Å; M467-V471 WeakPolarHBondContact O-CG2 3.49Å; M467-V471 PolarHBondContact O-N 3Å; M467-V471 VanDerWaalsContact O-N 3.14Å
468	P	87.3	Confident	94.8	Very high	30 Å²	30	17 Å²	17	20%	0.195	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-32.5	-175.7	22.7	-33.5	0	0	0	113.5	Y70 K470 V471 A472	Y70-P468 HydrophobicContact CD1-CG 4.22Å; Y70-P468 HydrophobicContact CD2-CG 4.07Å; Y70-P468 HydrophobicContact CE1-CB 4.13Å; Y70-P468 HydrophobicContact CE1-CG 4.04Å; Y70-P468 HydrophobicContact CE2-CB 4.35Å; Y70-P468 HydrophobicContact CE2-CG 3.88Å; Y70-P468 HydrophobicContact CG-CG 4.24Å; P468-K470 VanDerWaalsContact C-N 3.35Å; P468-V471 WeakPolarHBondContact O-CB 3.3Å; P468-V471 PolarHBondContact O-N 3.41Å; P468-A472 PolarHBondContact O-N 2.87Å
469	G	89.8	Confident	94.9	Very high	57 Å²	57	17.8 Å²	17.8	59%	0.588	10%	0.104	S	C	*	.	H	α-helix	trans	-64.2	-38.6	173.9	0	0	0	0	0	112.9	M467 A473	M467-G469 VanDerWaalsContact C-N 3.27Å; M467-G469 PolarHBondContact O-N 3.48Å; G469-A473 PolarHBondContact O-N 3.07Å
470	K	94.1	Very high	94.8	Very high	30 Å²	30	24.6 Å²	24.6	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-36	177.5	-64.5	-173.2	-177.6	-169.6	0	111.5	M467 P468 A472 A473 F474 L527 Q528 L529 Y531	M467-K470 HydrophobicContact CB-CB 4.32Å; M467-K470 HydrophobicContact CB-CD 4.15Å; M467-K470 HydrophobicContact CB-CG 4Å; M467-K470 WeakPolarHBondContact O-CB 3.31Å; M467-K470 PolarHBondContact O-N 2.97Å; M467-K470 HydrophobicContact SD-CD 4.27Å; P468-K470 VanDerWaalsContact C-N 3.35Å; K470-A472 PolarHBondContact O-N 3.34Å; K470-A473 PolarHBondContact O-N 3.1Å; K470-F474 WeakPolarHBondContact O-CB 3.42Å; K470-F474 PolarHBondContact O-N 2.63Å; K470-L527 HydrophobicContact CD-CB 4.47Å; K470-L527 WeakPolarHBondContact CD-O 3.36Å; K470-L527 WeakPolarHBondContact CE-O 3.26Å; K470-L527 PolarHBondContact NZ-O 3.23Å; K470-Q528 PolarHBondContact NZ-O 3.37Å; K470-L529 HydrophobicContact CD-CD2 3.72Å; K470-Y531 PolarHBondContact NZ-OH 3.26Å
471	V	94	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-55.4	-49.4	176.9	175.9	0	0	0	0	111.7	L465 M467 P468 A475 V487 A498	L465-V471 HydrophobicContact CB-CG2 4.01Å; L465-V471 HydrophobicContact CD1-CG2 4.23Å; M467-V471 WeakPolarHBondContact O-CG2 3.49Å; M467-V471 PolarHBondContact O-N 3Å; M467-V471 VanDerWaalsContact O-N 3.14Å; P468-V471 WeakPolarHBondContact O-CB 3.3Å; P468-V471 PolarHBondContact O-N 3.41Å; V471-A475 PolarHBondContact O-N 3.3Å; V471-V487 HydrophobicContact CG1-CB 3.74Å; V471-V487 HydrophobicContact CG1-CG1 4.31Å; V471-V487 HydrophobicContact CG1-CG2 3.86Å; V471-A498 HydrophobicContact CG2-CB 3.68Å
472	A	93.3	Very high	94.8	Very high	4 Å²	4	33 Å²	33	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-70.8	-40.6	-180	0	0	0	0	0	112.5	I122 N125 P468 K470 R476	I122-A472 HydrophobicContact CB-CB 3.84Å; I122-A472 HydrophobicContact CG2-CB 3.38Å; N125-A472 PolarHBondContact OD1-O 3.32Å; P468-A472 PolarHBondContact O-N 2.87Å; K470-A472 PolarHBondContact O-N 3.34Å; A472-R476 WeakPolarHBondContact O-CG 3.35Å; A472-R476 PolarHBondContact O-N 2.9Å
473	A	95.6	Very high	94.9	Very high	24 Å²	24	33 Å²	33	20%	0.198	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175.9	0	0	0	0	0	110.8	G469 K470 A475 R476 H477 L527	G469-A473 PolarHBondContact O-N 3.07Å; K470-A473 PolarHBondContact O-N 3.1Å; A473-A475 PolarHBondContact O-N 2.97Å; A473-R476 PolarHBondContact O-N 2.89Å; A473-H477 PolarHBondContact O-N 3.47Å; A473-H477 PolarHBondContact O-ND1 3.11Å; A473-L527 HydrophobicContact CB-CD1 4.26Å; A473-L527 HydrophobicContact CB-CD2 3.97Å
474	F	97.1	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-53.5	-179.7	-174.2	-89.1	0	0	0	112	L465 K470 R476 H477 M478 V485 V487 A500 F502 L520 M523 L527 L529	L465-F474 HydrophobicContact CD1-CB 4.09Å; L465-F474 HydrophobicContact CD1-CD1 3.95Å; L465-F474 HydrophobicContact CD1-CG 3.98Å; L465-F474 HydrophobicContact CD2-CD1 4.44Å; L465-F474 HydrophobicContact CD2-CD2 3.84Å; L465-F474 HydrophobicContact CD2-CE2 4.03Å; L465-F474 HydrophobicContact CD2-CG 4.04Å; L465-F474 HydrophobicContact CD2-CZ 4.39Å; K470-F474 WeakPolarHBondContact O-CB 3.42Å; K470-F474 PolarHBondContact O-N 2.63Å; F474-R476 VanDerWaalsContact C-N 3.32Å; F474-R476 PolarHBondContact O-N 3.18Å; F474-H477 PolarHBondContact O-N 3.31Å; F474-M478 HydrophobicContact CD1-CG 3.92Å; F474-M478 HydrophobicContact CE1-CG 3.71Å; F474-M478 HydrophobicContact CE2-CG 4.43Å; F474-M478 HydrophobicContact CE2-SD 4.49Å; F474-M478 HydrophobicContact CG-CG 4.38Å; F474-M478 HydrophobicContact CZ-CG 4.01Å; F474-M478 HydrophobicContact CZ-SD 4.26Å; F474-M478 WeakPolarHBondContact O-CB 3.36Å; F474-M478 VanDerWaalsContact O-CG 3.23Å; F474-M478 WeakPolarHBondContact O-CG 3.23Å; F474-M478 PolarHBondContact O-N 2.95Å; F474-V485 HydrophobicContact CD1-CG2 4.41Å; F474-V485 HydrophobicContact CE1-CG2 4.3Å; F474-V487 HydrophobicContact CD1-CG1 4.06Å; F474-A500 HydrophobicContact CD1-CB 4.15Å; F474-A500 HydrophobicContact CE1-CB 3.51Å; F474-A500 HydrophobicContact CZ-CB 4.11Å; F474-F502 HydrophobicContact CE1-CZ 4.06Å; F474-F502 HydrophobicContact CZ-CE2 4.34Å; F474-F502 AromaticContact CZ-CZ 3.93Å; F474-F502 HydrophobicContact CZ-CZ 3.93Å; F474-L520 HydrophobicContact CE1-CD2 4.5Å; F474-L520 HydrophobicContact CE2-CD2 3.79Å; F474-L520 HydrophobicContact CZ-CD2 3.38Å; F474-M523 HydrophobicContact CD2-CB 4.4Å; F474-M523 HydrophobicContact CE2-CB 4.31Å; F474-L527 HydrophobicContact CB-CD1 3.88Å; F474-L527 HydrophobicContact CD2-CD1 4.18Å; F474-L529 HydrophobicContact CD2-CD1 3.84Å; F474-L529 HydrophobicContact CE2-CD1 4.18Å
475	A	95.9	Very high	94.9	Very high	7 Å²	7	34.8 Å²	34.8	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-34.9	-178.4	0	0	0	0	0	113.7	N125 V471 A473 L479 V485 V487	N125-A475 HydrophobicContact CB-CB 4.07Å; N125-A475 WeakPolarHBondContact OD1-CB 3.33Å; V471-A475 PolarHBondContact O-N 3.3Å; A473-A475 PolarHBondContact O-N 2.97Å; A475-L479 PolarHBondContact O-N 3.48Å; A475-V485 HydrophobicContact CB-CG2 4.32Å; A475-V487 HydrophobicContact CB-CB 4.44Å; A475-V487 HydrophobicContact CB-CG1 3.82Å; A475-V487 HydrophobicContact CB-CG2 3.74Å
476	R	95.3	Very high	94.9	Very high	91 Å²	91	36.9 Å²	36.9	34%	0.343	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-50.5	175.6	-69.6	171	-178	157.9	1.1	111.8	R121 D124 N125 A472 A473 F474 L479 E480	R121-R476 PolarHBondContact O-NH2 2.96Å; D124-R476 VanDerWaalsContact CG-NH2 3.32Å; D124-R476 IonicContact OD1-CZ 3.47Å; D124-R476 IonicContact OD1-NE 2.85Å; D124-R476 IonicContact OD1-NH2 2.88Å; D124-R476 PolarHBondContact OD1-NH2 3.27Å; D124-R476 IonicContact OD2-CZ 3.28Å; D124-R476 IonicContact OD2-NE 2.9Å; D124-R476 PolarHBondContact OD2-NE 2.99Å; D124-R476 IonicContact OD2-NH2 2.78Å; D124-R476 PolarHBondContact OD2-NH2 2.99Å; D124-R476 VanDerWaalsContact OD2-NH2 3.17Å; N125-R476 WeakPolarHBondContact OD1-CG 3.38Å; A472-R476 WeakPolarHBondContact O-CG 3.35Å; A472-R476 PolarHBondContact O-N 2.9Å; A473-R476 PolarHBondContact O-N 2.89Å; F474-R476 VanDerWaalsContact C-N 3.32Å; F474-R476 PolarHBondContact O-N 3.18Å; R476-L479 PolarHBondContact O-N 3.25Å; R476-E480 PolarHBondContact O-N 3.22Å; R476-E480 VanDerWaalsContact O-N 3.09Å
477	H	96.3	Very high	95	Very high	62 Å²	62	37 Å²	37	29%	0.287	20%	0.199	S	C	.	.	H	α-helix	trans	-68.4	-37.6	-177.4	-69.9	77.6	0	0	0	112.5	A473 F474 L479 E480 K481 M523	A473-H477 PolarHBondContact O-N 3.47Å; A473-H477 PolarHBondContact O-ND1 3.11Å; F474-H477 PolarHBondContact O-N 3.31Å; H477-L479 PolarHBondContact O-N 3.48Å; H477-E480 IonicContact CD2-OE2 3.04Å; H477-E480 WeakPolarHBondContact O-CB 3.22Å; H477-E480 PolarHBondContact O-N 2.92Å; H477-E480 VanDerWaalsContact O-N 3.16Å; H477-K481 PolarHBondContact O-N 2.83Å; H477-K481 VanDerWaalsContact O-N 3.1Å; H477-M523 HydrophobicContact CB-CE 3.58Å; H477-M523 HydrophobicContact CB-SD 3.48Å; H477-M523 WeakPolarHBondContact CB-SD 3.5Å
478	M	97.6	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-39.1	174.7	-69.4	-57	-72.1	0	0	111.1	F474 K481 K482 I483 V485 A519 L520 M523	F474-M478 HydrophobicContact CD1-CG 3.92Å; F474-M478 HydrophobicContact CE1-CG 3.71Å; F474-M478 HydrophobicContact CE2-CG 4.43Å; F474-M478 HydrophobicContact CE2-SD 4.49Å; F474-M478 HydrophobicContact CG-CG 4.38Å; F474-M478 HydrophobicContact CZ-CG 4.01Å; F474-M478 HydrophobicContact CZ-SD 4.26Å; F474-M478 WeakPolarHBondContact O-CB 3.36Å; F474-M478 VanDerWaalsContact O-CG 3.23Å; F474-M478 WeakPolarHBondContact O-CG 3.23Å; F474-M478 PolarHBondContact O-N 2.95Å; M478-K481 CarbonylContact O-C 3.57Å; M478-K481 PolarHBondContact O-N 3.16Å; M478-K482 PolarHBondContact O-N 3.29Å; M478-I483 CarbonylContact C-O 3.12Å; M478-I483 HydrophobicContact CB-CB 4.43Å; M478-I483 HydrophobicContact CE-CB 3.92Å; M478-I483 HydrophobicContact CE-CD1 3.58Å; M478-I483 HydrophobicContact CE-CG1 4.37Å; M478-I483 HydrophobicContact CE-CG2 3.71Å; M478-I483 WeakPolarHBondContact O-CA 3.39Å; M478-I483 WeakPolarHBondContact O-CB 3.38Å; M478-I483 PolarHBondContact O-N 3.29Å; M478-V485 HydrophobicContact CB-CG1 4.08Å; M478-V485 HydrophobicContact CB-CG2 3.96Å; M478-V485 HydrophobicContact CE-CG1 4.16Å; M478-V485 HydrophobicContact CG-CG1 4.19Å; M478-V485 HydrophobicContact CG-CG2 4.27Å; M478-A519 HydrophobicContact CE-CB 4.3Å; M478-A519 HydrophobicContact SD-CB 4.42Å; M478-L520 HydrophobicContact CE-CD2 3.71Å; M478-L520 HydrophobicContact CE-CG 4.02Å; M478-L520 HydrophobicContact SD-CD2 4.07Å; M478-M523 HydrophobicContact SD-CG 3.93Å
479	L	96.4	Very high	95.1	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-71.1	-34.3	176.3	-175	67.1	0	0	0	113.2	I159 V162 A475 R476 H477 K481 K482	I159-L479 HydrophobicContact CD1-CD2 4.11Å; I159-L479 HydrophobicContact CD1-CG 4.33Å; V162-L479 HydrophobicContact CG1-CD1 4.05Å; V162-L479 HydrophobicContact CG2-CD1 4.19Å; A475-L479 PolarHBondContact O-N 3.48Å; R476-L479 PolarHBondContact O-N 3.25Å; H477-L479 PolarHBondContact O-N 3.48Å; L479-K481 PolarHBondContact O-N 3.08Å; L479-K482 VanDerWaalsContact O-CA 3.31Å; L479-K482 WeakPolarHBondContact O-CA 3.4Å; L479-K482 PolarHBondContact O-N 2.94Å
480	E	95.7	Very high	94.8	Very high	144 Å²	144	35 Å²	35	67%	0.673	18%	0.175	S	C	*	.	H	α-helix	trans	-58.5	-34.6	172.1	-70.4	168.1	-172	0	0	111.2	R476 H477 K482	R476-E480 PolarHBondContact O-N 3.22Å; R476-E480 VanDerWaalsContact O-N 3.09Å; H477-E480 IonicContact CD2-OE2 3.04Å; H477-E480 WeakPolarHBondContact O-CB 3.22Å; H477-E480 PolarHBondContact O-N 2.92Å; H477-E480 VanDerWaalsContact O-N 3.16Å; E480-K482 PolarHBondContact O-N 3.49Å
481	K	96.8	Very high	94	Very high	72 Å²	72	38.4 Å²	38.4	31%	0.313	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	11.4	170.7	-63	-177.6	-174.6	-77.6	0	114	H477 M478 L479 I483 A519 E522	H477-K481 PolarHBondContact O-N 2.83Å; H477-K481 VanDerWaalsContact O-N 3.1Å; M478-K481 CarbonylContact O-C 3.57Å; M478-K481 PolarHBondContact O-N 3.16Å; L479-K481 PolarHBondContact O-N 3.08Å; K481-I483 HydrophobicContact CB-CD1 4.28Å; K481-I483 PolarHBondContact O-N 3.4Å; K481-A519 HydrophobicContact CD-CB 3.56Å; K481-E522 WeakPolarHBondContact CE-OE1 3.45Å; K481-E522 WeakPolarHBondContact CE-OE2 3.25Å; K481-E522 IonicContact NZ-OE1 3.36Å; K481-E522 PolarHBondContact NZ-OE1 3.22Å; K481-E522 IonicContact NZ-OE2 3.3Å; K481-E522 PolarHBondContact NZ-OE2 3.47Å
482	K	97.4	Very high	93.3	Very high	103 Å²	103	41.6 Å²	41.6	45%	0.448	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	39.4	-177.3	-56.4	-178.1	176.1	-172.9	0	114.2	I159 V162 I163 M478 L479 E480	I159-K482 HydrophobicContact CG2-CG 4.48Å; V162-K482 CarbonylContact C-O 3.5Å; V162-K482 VanDerWaalsContact CA-O 3.29Å; V162-K482 WeakPolarHBondContact CA-O 3.3Å; I163-K482 PolarHBondContact N-O 3.11Å; M478-K482 PolarHBondContact O-N 3.29Å; L479-K482 VanDerWaalsContact O-CA 3.31Å; L479-K482 WeakPolarHBondContact O-CA 3.4Å; L479-K482 PolarHBondContact O-N 2.94Å; E480-K482 PolarHBondContact O-N 3.49Å
483	I	98.2	Very high	92.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.8	175.1	-56.7	162.4	0	0	0	109.5	I163 M165 M478 K481 V485 V516 A519	I163-I483 HydrophobicContact CD1-CG1 4.47Å; M165-I483 HydrophobicContact CB-CG2 4.46Å; M165-I483 HydrophobicContact CG-CG2 3.98Å; M478-I483 CarbonylContact C-O 3.12Å; M478-I483 HydrophobicContact CB-CB 4.43Å; M478-I483 HydrophobicContact CE-CB 3.92Å; M478-I483 HydrophobicContact CE-CD1 3.58Å; M478-I483 HydrophobicContact CE-CG1 4.37Å; M478-I483 HydrophobicContact CE-CG2 3.71Å; M478-I483 WeakPolarHBondContact O-CA 3.39Å; M478-I483 WeakPolarHBondContact O-CB 3.38Å; M478-I483 PolarHBondContact O-N 3.29Å; K481-I483 HydrophobicContact CB-CD1 4.28Å; K481-I483 PolarHBondContact O-N 3.4Å; I483-V485 HydrophobicContact CG2-CG1 3.91Å; I483-V485 PolarHBondContact O-N 3.23Å; I483-V516 HydrophobicContact CD1-CB 4.4Å; I483-V516 HydrophobicContact CD1-CG2 4.09Å; I483-V516 HydrophobicContact CG1-CG2 4.15Å; I483-V516 HydrophobicContact CG2-CG1 4.35Å; I483-V516 HydrophobicContact CG2-CG2 3.98Å; I483-A519 HydrophobicContact CD1-CB 3.38Å
484	G	96.8	Very high	92.4	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	104.5	179.6	0	0	0	0	0	111	I163 M165 G166	I163-G484 PolarHBondContact O-N 3.03Å; M165-G484 CarbonylContact C-O 3.54Å; M165-G484 WeakPolarHBondContact CA-O 3.36Å; M165-G484 WeakPolarHBondContact CB-O 3.43Å; M165-G484 PolarHBondContact N-O 3.29Å; G166-G484 PolarHBondContact N-O 2.66Å
485	V	96.2	Very high	91.9	Very high	25 Å²	25	46.8 Å²	46.8	15%	0.152	26%	0.255	C	S	.	.			trans	-111.9	153.2	179.9	-59.2	0	0	0	0	112	F474 A475 M478 I483 V487 F502	F474-V485 HydrophobicContact CD1-CG2 4.41Å; F474-V485 HydrophobicContact CE1-CG2 4.3Å; A475-V485 HydrophobicContact CB-CG2 4.32Å; M478-V485 HydrophobicContact CB-CG1 4.08Å; M478-V485 HydrophobicContact CB-CG2 3.96Å; M478-V485 HydrophobicContact CE-CG1 4.16Å; M478-V485 HydrophobicContact CG-CG1 4.19Å; M478-V485 HydrophobicContact CG-CG2 4.27Å; I483-V485 HydrophobicContact CG2-CG1 3.91Å; I483-V485 PolarHBondContact O-N 3.23Å; V485-V487 HydrophobicContact CG2-CG1 4.44Å; V485-F502 HydrophobicContact CG1-CE1 3.58Å; V485-F502 HydrophobicContact CG1-CZ 3.9Å
486	V	95.1	Very high	91.5	Very high	44 Å²	44	46.8 Å²	46.8	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111	169.4	175.3	0	0	0	0	108.4	V488 R501	V486-V488 HydrophobicContact CG1-CG2 4.06Å; V486-R501 PolarHBondContact O-N 2.95Å
487	V	95.6	Very high	91.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	145.2	169.9	-68.3	0	0	0	0	111	N125 W126 L465 V471 F474 A475 V485 R499 A500	N125-V487 HydrophobicContact CB-CG2 4.36Å; W126-V487 HydrophobicContact CZ2-CG2 3.92Å; W126-V487 PolarHBondContact NE1-O 2.88Å; L465-V487 HydrophobicContact CD1-CG1 3.99Å; V471-V487 HydrophobicContact CG1-CB 3.74Å; V471-V487 HydrophobicContact CG1-CG1 4.31Å; V471-V487 HydrophobicContact CG1-CG2 3.86Å; F474-V487 HydrophobicContact CD1-CG1 4.06Å; A475-V487 HydrophobicContact CB-CB 4.44Å; A475-V487 HydrophobicContact CB-CG1 3.82Å; A475-V487 HydrophobicContact CB-CG2 3.74Å; V485-V487 HydrophobicContact CG2-CG1 4.44Å; V487-R499 CarbonylContact C-O 3.59Å; V487-R499 WeakPolarHBondContact CA-O 3.25Å; V487-A500 HydrophobicContact CG1-CB 4.21Å
488	V	92.3	Very high	91.1	Very high	13 Å²	13	42.4 Å²	42.4	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137	-176.5	-169.4	0	0	0	0	108.3	M312 V486 A492 T493 A498 R499 R501	M312-V488 HydrophobicContact SD-CG1 4.44Å; V486-V488 HydrophobicContact CG1-CG2 4.06Å; V488-A492 HydrophobicContact CG1-CB 3.63Å; V488-T493 HydrophobicContact CG1-CG2 3.99Å; V488-A498 CarbonylContact O-C 3.54Å; V488-A498 VanDerWaalsContact O-CA 3.27Å; V488-A498 WeakPolarHBondContact O-CA 3.36Å; V488-R499 HydrophobicContact CB-CG 4.41Å; V488-R499 PolarHBondContact N-O 3.33Å; V488-R499 PolarHBondContact O-N 3.19Å; V488-R501 HydrophobicContact CG2-CB 4.48Å
489	G	87	Confident	91	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	24%	0.239	C	C	.	.			trans	-147.9	-171.4	173.8	0	0	0	0	0	110.2	A492 T493	G489-A492 WeakPolarHBondContact O-CB 3.23Å; G489-A492 PolarHBondContact O-N 3.32Å; G489-T493 WeakPolarHBondContact CA-OG1 3.26Å; G489-T493 PolarHBondContact O-N 3.32Å
490	F	83.8	Confident	91	Very high	63 Å²	63	41.6 Å²	41.6	28%	0.276	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.2	175	-177.5	-88.2	0	0	0	111.7	F110 Y114 T493 L495	F110-F490 AromaticContact CE1-CE1 3.93Å; F110-F490 HydrophobicContact CE1-CE1 3.93Å; F110-F490 HydrophobicContact CE1-CZ 4.1Å; Y114-F490 HydrophobicContact CD2-CD1 4.16Å; Y114-F490 HydrophobicContact CD2-CE1 4.27Å; Y114-F490 HydrophobicContact CE1-CD1 4.32Å; Y114-F490 AromaticContact CE2-CD1 3.71Å; Y114-F490 HydrophobicContact CE2-CD1 3.71Å; Y114-F490 HydrophobicContact CE2-CE1 4.28Å; Y114-F490 AromaticContact CZ-CD1 3.78Å; Y114-F490 PolarHBondContact OH-O 3.4Å; F490-T493 VanDerWaalsContact CA-O 3.31Å; F490-T493 WeakPolarHBondContact CA-O 3.47Å; F490-L495 HydrophobicContact CB-CD2 3.63Å; F490-L495 HydrophobicContact CB-CG 4.41Å; F490-L495 HydrophobicContact CD1-CD2 4.22Å; F490-L495 HydrophobicContact CD2-CD2 3.88Å; F490-L495 HydrophobicContact CD2-CG 4.04Å; F490-L495 HydrophobicContact CG-CD2 3.62Å; F490-L495 HydrophobicContact CG-CG 4.29Å
491	P	76.9	Confident	91	Very high	103 Å²	103	36.1 Å²	36.1	67%	0.669	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.3	0.4	7.4	35.5	-36.8	0	0	0	115.5	T493	P491-T493 VanDerWaalsContact C-N 3.31Å; P491-T493 PolarHBondContact O-N 2.62Å
492	A	80.8	Confident	91.1	Very high	70 Å²	70	32.7 Å²	32.7	58%	0.579	19%	0.193	S	C	*	.	S	Bend	trans	-73.7	-23.2	-176.3	0	0	0	0	0	113.5	V488 G489	V488-A492 HydrophobicContact CG1-CB 3.63Å; G489-A492 WeakPolarHBondContact O-CB 3.23Å; G489-A492 PolarHBondContact O-N 3.32Å
493	T	83.9	Confident	91.1	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.049	17%	0.172	C	C	.	.	S	Bend	trans	-135.3	161.1	172.4	48.9	0	0	0	0	109.7	V488 G489 F490 P491	V488-T493 HydrophobicContact CG1-CG2 3.99Å; G489-T493 WeakPolarHBondContact CA-OG1 3.26Å; G489-T493 PolarHBondContact O-N 3.32Å; F490-T493 VanDerWaalsContact CA-O 3.31Å; F490-T493 WeakPolarHBondContact CA-O 3.47Å; P491-T493 VanDerWaalsContact C-N 3.31Å; P491-T493 PolarHBondContact O-N 2.62Å
494	P	86.4	Confident	91	Very high	73 Å²	73	27.8 Å²	27.8	47%	0.474	17%	0.171	S	C	.	.			trans	-53.1	150.5	171.3	-25.5	35	0	0	0	112.2	A496 E497	P494-A496 PolarHBondContact O-N 3.3Å; P494-E497 HydrophobicContact CB-CB 4.42Å; P494-E497 HydrophobicContact CB-CG 4.16Å; P494-E497 WeakPolarHBondContact CD-OE2 3.44Å; P494-E497 HydrophobicContact CG-CG 4.41Å; P494-E497 PolarHBondContact O-N 3.35Å
495	L	85.8	Confident	91.1	Very high	56 Å²	56	27.4 Å²	27.4	29%	0.293	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-52.4	-36.2	-176.3	-71.8	168.9	0	0	0	113.2	Y67 Y70 F490 E497	Y67-L495 HydrophobicContact CE1-CB 4.38Å; Y67-L495 HydrophobicContact CE1-CD1 4.41Å; Y70-L495 HydrophobicContact CD1-CD2 3.77Å; Y70-L495 HydrophobicContact CD2-CB 4.27Å; Y70-L495 HydrophobicContact CD2-CD2 3.98Å; Y70-L495 HydrophobicContact CE1-CD2 3.52Å; Y70-L495 HydrophobicContact CE2-CB 4.02Å; Y70-L495 HydrophobicContact CE2-CD2 3.75Å; Y70-L495 HydrophobicContact CE2-CG 4.5Å; Y70-L495 VanDerWaalsContact CE2-O 3.32Å; Y70-L495 WeakPolarHBondContact CE2-O 3.4Å; Y70-L495 HydrophobicContact CG-CD2 3.99Å; F490-L495 HydrophobicContact CB-CD2 3.63Å; F490-L495 HydrophobicContact CB-CG 4.41Å; F490-L495 HydrophobicContact CD1-CD2 4.22Å; F490-L495 HydrophobicContact CD2-CD2 3.88Å; F490-L495 HydrophobicContact CD2-CG 4.04Å; F490-L495 HydrophobicContact CG-CD2 3.62Å; F490-L495 HydrophobicContact CG-CG 4.29Å; L495-E497 VanDerWaalsContact C-N 3.33Å
496	A	86.7	Confident	91.2	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-93.5	15.4	-176.9	0	0	0	0	0	113.9	M63 Y67 Y466 P494	M63-A496 HydrophobicContact CE-CB 3.24Å; M63-A496 HydrophobicContact SD-CB 3.68Å; Y67-A496 HydrophobicContact CE2-CB 4.35Å; Y466-A496 WeakPolarHBondContact CD1-O 3.3Å; P494-A496 PolarHBondContact O-N 3.3Å
497	E	89.9	Confident	91.2	Very high	61 Å²	61	26 Å²	26	29%	0.285	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-134.1	25.1	-177.1	-56.5	-176.4	172.7	0	0	112.8	L464 P494 L495 R499	L464-E497 HydrophobicContact CD1-CB 4.42Å; P494-E497 HydrophobicContact CB-CB 4.42Å; P494-E497 HydrophobicContact CB-CG 4.16Å; P494-E497 WeakPolarHBondContact CD-OE2 3.44Å; P494-E497 HydrophobicContact CG-CG 4.41Å; P494-E497 PolarHBondContact O-N 3.35Å; L495-E497 VanDerWaalsContact C-N 3.33Å; E497-R499 PolarHBondContact O-N 2.88Å; E497-R499 PolarHBondContact O-NE 2.82Å; E497-R499 PolarHBondContact O-NH2 2.87Å; E497-R499 IonicContact OE2-NH2 3.87Å; E497-R499 PolarHBondContact OE2-NH2 3.48Å
498	A	93.5	Very high	91.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.162	C	C	.	.			trans	-58.2	138.8	171.6	0	0	0	0	0	110.1	L465 Y466 V471 V488	L465-A498 PolarHBondContact N-O 3.25Å; Y466-A498 PolarHBondContact N-O 3.13Å; Y466-A498 WeakPolarHBondContact O-CB 3.49Å; V471-A498 HydrophobicContact CG2-CB 3.68Å; V488-A498 CarbonylContact O-C 3.54Å; V488-A498 VanDerWaalsContact O-CA 3.27Å; V488-A498 WeakPolarHBondContact O-CA 3.36Å
499	R	95.3	Very high	91.6	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.5	-165.5	63	-169.3	81.4	166	3.2	112.8	M312 E313 P462 L463 L464 V487 V488 E497	M312-R499 PolarHBondContact O-NH1 2.75Å; E313-R499 IonicContact OE1-CZ 3.72Å; E313-R499 IonicContact OE1-NH1 3.27Å; E313-R499 PolarHBondContact OE1-NH1 3.4Å; E313-R499 IonicContact OE1-NH2 3.59Å; P462-R499 HydrophobicContact CB-CG 4.43Å; L463-R499 CarbonylContact O-C 3.55Å; L463-R499 WeakPolarHBondContact O-CA 3.45Å; L463-R499 VanDerWaalsContact O-CB 3.25Å; L463-R499 WeakPolarHBondContact O-CB 3.47Å; L464-R499 HydrophobicContact CD1-CB 4.28Å; V487-R499 CarbonylContact C-O 3.59Å; V487-R499 WeakPolarHBondContact CA-O 3.25Å; V488-R499 HydrophobicContact CB-CG 4.41Å; V488-R499 PolarHBondContact N-O 3.33Å; V488-R499 PolarHBondContact O-N 3.19Å; E497-R499 PolarHBondContact O-N 2.88Å; E497-R499 PolarHBondContact O-NE 2.82Å; E497-R499 PolarHBondContact O-NH2 2.87Å; E497-R499 IonicContact OE2-NH2 3.87Å; E497-R499 PolarHBondContact OE2-NH2 3.48Å
500	A	96.8	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.5	159.8	0	0	0	0	0	108.4	L463 L465 F474 V487 F502	L463-A500 PolarHBondContact N-O 2.84Å; L463-A500 PolarHBondContact O-N 3.34Å; L465-A500 HydrophobicContact CD1-CB 4.02Å; L465-A500 HydrophobicContact CG-CB 4.4Å; F474-A500 HydrophobicContact CD1-CB 4.15Å; F474-A500 HydrophobicContact CE1-CB 3.51Å; F474-A500 HydrophobicContact CZ-CB 4.11Å; V487-A500 HydrophobicContact CG1-CB 4.21Å; A500-F502 HydrophobicContact CB-CD2 4.25Å; A500-F502 HydrophobicContact CB-CE2 3.52Å; A500-F502 HydrophobicContact CB-CZ 4.05Å
501	R	96.6	Very high	92.8	Very high	28 Å²	28	36.3 Å²	36.3	11%	0.106	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.4	179.2	-171	-174.6	68	-132.9	1.3	109.4	Y168 S311 M312 V460 V486 V488	Y168-R501 PolarHBondContact OH-NE 3.27Å; Y168-R501 PolarHBondContact OH-NH1 3.07Å; Y168-R501 PolarHBondContact OH-NH2 3.49Å; S311-R501 VanDerWaalsContact O-CD 3.23Å; S311-R501 WeakPolarHBondContact O-CD 3.47Å; M312-R501 PolarHBondContact SD-NH1 3.42Å; V460-R501 HydrophobicContact CG1-CG 3.72Å; V486-R501 PolarHBondContact O-N 2.95Å; V488-R501 HydrophobicContact CG2-CB 4.48Å
502	F	97.8	Very high	93.8	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.6	172.8	-65.1	-90.7	0	0	0	109.7	M165 F441 V461 L463 F474 V485 A500 V516 L520	M165-F502 HydrophobicContact CB-CD1 3.79Å; M165-F502 HydrophobicContact CB-CE1 4.24Å; M165-F502 HydrophobicContact CE-CB 4.41Å; M165-F502 HydrophobicContact CE-CD1 3.89Å; M165-F502 HydrophobicContact CG-CD1 4.31Å; M165-F502 CarbonylContact O-C 3.56Å; M165-F502 WeakPolarHBondContact O-CA 3.31Å; F441-F502 HydrophobicContact CE1-CB 3.76Å; F441-F502 HydrophobicContact CE1-CD1 4.17Å; F441-F502 HydrophobicContact CE1-CD2 4.45Å; F441-F502 AromaticContact CE1-CG 3.88Å; F441-F502 HydrophobicContact CE1-CG 3.88Å; F441-F502 HydrophobicContact CZ-CB 4.35Å; F441-F502 AromaticContact CZ-CD1 3.89Å; F441-F502 HydrophobicContact CZ-CD1 3.89Å; F441-F502 HydrophobicContact CZ-CE1 4.47Å; F441-F502 HydrophobicContact CZ-CG 4.04Å; V461-F502 HydrophobicContact CB-CB 4.2Å; V461-F502 PolarHBondContact N-O 3.3Å; V461-F502 WeakPolarHBondContact O-CB 3.34Å; V461-F502 PolarHBondContact O-N 3.28Å; L463-F502 HydrophobicContact CB-CD2 4.17Å; L463-F502 HydrophobicContact CB-CE2 3.98Å; L463-F502 HydrophobicContact CD1-CE2 4.19Å; F474-F502 HydrophobicContact CE1-CZ 4.06Å; F474-F502 HydrophobicContact CZ-CE2 4.34Å; F474-F502 AromaticContact CZ-CZ 3.93Å; F474-F502 HydrophobicContact CZ-CZ 3.93Å; V485-F502 HydrophobicContact CG1-CE1 3.58Å; V485-F502 HydrophobicContact CG1-CZ 3.9Å; A500-F502 HydrophobicContact CB-CD2 4.25Å; A500-F502 HydrophobicContact CB-CE2 3.52Å; A500-F502 HydrophobicContact CB-CZ 4.05Å; F502-V516 HydrophobicContact CE1-CG1 4.34Å; F502-L520 HydrophobicContact CE1-CD1 4.21Å; F502-L520 HydrophobicContact CE1-CD2 4.4Å; F502-L520 HydrophobicContact CE2-CD2 4.35Å; F502-L520 HydrophobicContact CZ-CD1 4.06Å; F502-L520 HydrophobicContact CZ-CD2 3.71Å; F502-L520 HydrophobicContact CZ-CG 4.48Å
503	C	97.3	Very high	94.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	107.8	174.8	-61.1	0	0	0	0	107.9	M165 S167 Y168 F170 P459	M165-C503 PolarHBondContact O-N 3.42Å; S167-C503 WeakPolarHBondContact O-CB 3.33Å; Y168-C503 HydrophobicContact CD1-CB 4.39Å; Y168-C503 VanDerWaalsContact CD1-SG 3.57Å; Y168-C503 VanDerWaalsContact CE1-SG 3.52Å; F170-C503 HydrophobicContact CE1-CB 4.12Å; P459-C503 WeakPolarHBondContact O-CA 3.5Å
504	V	97.9	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-80.8	144	-177.4	-176.3	0	0	0	0	109.8	F170 L434 N437 F441 P459 V461	F170-V504 WeakPolarHBondContact CD1-O 3.23Å; L434-V504 WeakPolarHBondContact CD1-O 3.17Å; N437-V504 HydrophobicContact CB-CG1 3.55Å; F441-V504 HydrophobicContact CB-CG2 4.2Å; F441-V504 HydrophobicContact CD1-CG2 3.81Å; F441-V504 HydrophobicContact CG-CG2 4.18Å; P459-V504 PolarHBondContact O-N 3.15Å; V461-V504 HydrophobicContact CG2-CG2 4.2Å
505	S	97.9	Very high	95.9	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.035	16%	0.16	C	C	.	.			trans	-122.1	152.3	-179.4	-174.7	0	0	0	0	111.4	N169 F170 N437 A507 H508	N169-S505 WeakPolarHBondContact O-CB 3.44Å; N169-S505 PolarHBondContact O-OG 3.02Å; F170-S505 CarbonylContact O-C 3.49Å; F170-S505 WeakPolarHBondContact O-CA 3.33Å; F170-S505 PolarHBondContact O-OG 2.88Å; N437-S505 PolarHBondContact ND2-O 3.02Å; S505-A507 PolarHBondContact O-N 2.94Å; S505-A507 PolarHBondContact OG-N 2.91Å; S505-H508 PolarHBondContact N-CE1 3.1Å; S505-H508 PolarHBondContact N-ND1 3.23Å; S505-H508 PolarHBondContact O-N 3.38Å
506	A	97.8	Very high	96.5	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.4	166.5	0	0	0	0	0	112.2	F170 R430 Q433 L434 H508	F170-A506 PolarHBondContact O-N 3.37Å; R430-A506 HydrophobicContact CB-CB 4.04Å; R430-A506 HydrophobicContact CG-CB 4.45Å; R430-A506 VanDerWaalsContact O-CB 3.24Å; R430-A506 WeakPolarHBondContact O-CB 3.41Å; Q433-A506 HydrophobicContact CB-CB 4.44Å; Q433-A506 WeakPolarHBondContact CG-O 3.36Å; L434-A506 HydrophobicContact CB-CB 4.1Å; A506-H508 VanDerWaalsContact C-N 3.33Å
507	A	96.5	Very high	97.1	Very high	26 Å²	26	28.3 Å²	28.3	22%	0.215	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	-179.9	0	0	0	0	0	113.9	P136 S505 T509	P136-A507 HydrophobicContact CB-CB 3.98Å; P136-A507 HydrophobicContact CG-CB 4.03Å; S505-A507 PolarHBondContact O-N 2.94Å; S505-A507 PolarHBondContact OG-N 2.91Å; A507-T509 PolarHBondContact O-N 2.96Å
508	H	98.1	Very high	97.5	Very high	4 Å²	4	32 Å²	32	2%	0.019	16%	0.161	C	C	.	.			trans	-72.6	128.6	173.4	-65.1	134.6	0	0	0	110.1	N164 M165 N437 S505 A506 L513	N164-H508 PolarHBondContact O-CE1 3.46Å; N164-H508 VanDerWaalsContact O-CE1 3.25Å; N164-H508 PolarHBondContact O-NE2 3.44Å; M165-H508 VanDerWaalsContact SD-CE1 3.54Å; N437-H508 PolarHBondContact ND2-O 3.3Å; S505-H508 PolarHBondContact N-CE1 3.1Å; S505-H508 PolarHBondContact N-ND1 3.23Å; S505-H508 PolarHBondContact O-N 3.38Å; A506-H508 VanDerWaalsContact C-N 3.33Å; H508-L513 HydrophobicContact CB-CD1 4.43Å; H508-L513 HydrophobicContact CB-CD2 3.91Å; H508-L513 HydrophobicContact CB-CG 4.02Å
509	T	97.9	Very high	97.7	Very high	60 Å²	60	32.3 Å²	32.3	37%	0.368	16%	0.163	S	C	.	.			trans	-80.8	165.8	169.5	79.8	0	0	0	0	110.2	A507 E511 M512 L513	A507-T509 PolarHBondContact O-N 2.96Å; T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 WeakPolarHBondContact CB-OE2 3.21Å; T509-E511 PolarHBondContact O-N 2.95Å; T509-E511 PolarHBondContact OG1-OE2 3Å; T509-M512 HydrophobicContact CG2-SD 4.45Å; T509-M512 PolarHBondContact O-N 3Å; T509-M512 PolarHBondContact OG1-N 3.45Å; T509-L513 WeakPolarHBondContact O-CG 3.05Å; T509-L513 PolarHBondContact O-N 2.62Å; T509-L513 VanDerWaalsContact O-N 3.17Å
510	R	97.1	Very high	97.9	Very high	121 Å²	121	32.2 Å²	32.2	46%	0.457	16%	0.163	S	C	.	.	H	α-helix	trans	-60.9	-42.2	178	-179.7	52.8	171.8	-123.7	-9.5	111.3	Y440 M512 L513 D514	Y440-R510 VanDerWaalsContact CD1-NH1 3.28Å; Y440-R510 VanDerWaalsContact CD2-CZ 3.44Å; Y440-R510 VanDerWaalsContact CE1-NE 3.25Å; Y440-R510 VanDerWaalsContact CZ-NH1 3.33Å; Y440-R510 PolarHBondContact OH-NE 2.96Å; Y440-R510 PolarHBondContact OH-NH2 2.75Å; R510-M512 VanDerWaalsContact C-N 3.33Å; R510-M512 PolarHBondContact O-N 3.35Å; R510-L513 PolarHBondContact O-N 2.88Å; R510-L513 VanDerWaalsContact O-N 3.14Å; R510-D514 IonicContact NE-OD1 3.67Å; R510-D514 PolarHBondContact NE-OD1 3.32Å; R510-D514 IonicContact NE-OD2 3.55Å; R510-D514 PolarHBondContact NE-OD2 2.76Å; R510-D514 PolarHBondContact O-N 2.99Å
511	E	98.2	Very high	97.9	Very high	125 Å²	125	34.9 Å²	34.9	58%	0.584	18%	0.177	S	C	*	.	H	α-helix	trans	-64.1	-38.3	-179.7	-53.9	71.5	-152.4	0	0	111.5	T509 D514 T515	T509-E511 VanDerWaalsContact C-N 3.28Å; T509-E511 WeakPolarHBondContact CB-OE2 3.21Å; T509-E511 PolarHBondContact O-N 2.95Å; T509-E511 PolarHBondContact OG1-OE2 3Å; E511-D514 PolarHBondContact O-N 2.8Å; E511-T515 WeakPolarHBondContact O-CB 3.46Å; E511-T515 PolarHBondContact O-N 3.28Å; E511-T515 PolarHBondContact O-OG1 3.18Å
512	M	98.4	Very high	97.9	Very high	35 Å²	35	38.4 Å²	38.4	17%	0.172	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-45.2	173.5	-70.6	-179.8	175.5	0	0	111.3	P136 L137 T509 R510 T515 V516	P136-M512 HydrophobicContact CB-CE 4.42Å; P136-M512 HydrophobicContact CB-SD 4.1Å; L137-M512 HydrophobicContact CD1-CE 3.9Å; L137-M512 HydrophobicContact CD2-CE 3.94Å; L137-M512 HydrophobicContact CG-CE 3.73Å; T509-M512 HydrophobicContact CG2-SD 4.45Å; T509-M512 PolarHBondContact O-N 3Å; T509-M512 PolarHBondContact OG1-N 3.45Å; R510-M512 VanDerWaalsContact C-N 3.33Å; R510-M512 PolarHBondContact O-N 3.35Å; M512-T515 PolarHBondContact O-N 2.75Å; M512-V516 WeakPolarHBondContact O-CG2 3.4Å; M512-V516 PolarHBondContact O-N 3Å; M512-V516 VanDerWaalsContact O-N 3.09Å
513	L	98.6	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-40.1	178.5	-64.8	176.9	0	0	0	111.4	M165 N437 Y440 F441 H508 T509 R510 V516 L517	M165-L513 HydrophobicContact CE-CD2 4.22Å; M165-L513 HydrophobicContact SD-CD2 4.46Å; N437-L513 HydrophobicContact CB-CD1 3.87Å; Y440-L513 HydrophobicContact CD1-CB 4.33Å; Y440-L513 HydrophobicContact CD1-CD1 4Å; Y440-L513 HydrophobicContact CE1-CB 4.1Å; F441-L513 HydrophobicContact CD2-CD2 4.15Å; H508-L513 HydrophobicContact CB-CD1 4.43Å; H508-L513 HydrophobicContact CB-CD2 3.91Å; H508-L513 HydrophobicContact CB-CG 4.02Å; T509-L513 WeakPolarHBondContact O-CG 3.05Å; T509-L513 PolarHBondContact O-N 2.62Å; T509-L513 VanDerWaalsContact O-N 3.17Å; R510-L513 PolarHBondContact O-N 2.88Å; R510-L513 VanDerWaalsContact O-N 3.14Å; L513-V516 PolarHBondContact O-N 3.5Å; L513-L517 WeakPolarHBondContact O-CB 3.38Å; L513-L517 VanDerWaalsContact O-CG 3.23Å; L513-L517 WeakPolarHBondContact O-CG 3.46Å; L513-L517 PolarHBondContact O-N 2.75Å
514	D	98.4	Very high	97.7	Very high	45 Å²	45	38.4 Å²	38.4	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-43.9	177.2	-66.7	-16.2	0	0	0	111.1	Y440 R510 E511 V516 L517 E518	Y440-D514 VanDerWaalsContact CE1-OD1 3.32Å; Y440-D514 WeakPolarHBondContact CE1-OD1 3.48Å; Y440-D514 VanDerWaalsContact CZ-OD1 3.27Å; Y440-D514 PolarHBondContact OH-OD1 3.31Å; R510-D514 IonicContact NE-OD1 3.67Å; R510-D514 PolarHBondContact NE-OD1 3.32Å; R510-D514 IonicContact NE-OD2 3.55Å; R510-D514 PolarHBondContact NE-OD2 2.76Å; R510-D514 PolarHBondContact O-N 2.99Å; E511-D514 PolarHBondContact O-N 2.8Å; D514-V516 VanDerWaalsContact C-N 3.28Å; D514-V516 PolarHBondContact O-N 3.19Å; D514-L517 PolarHBondContact O-N 3.11Å; D514-L517 VanDerWaalsContact O-N 3.12Å; D514-E518 WeakPolarHBondContact O-CG 3.3Å; D514-E518 PolarHBondContact O-N 3Å
515	T	98.4	Very high	97.6	Very high	66 Å²	66	43 Å²	43	41%	0.405	22%	0.219	S	C	.	.	H	α-helix	trans	-56	-43	172.7	-55.3	0	0	0	0	111.7	I163 E511 M512 A519	I163-T515 HydrophobicContact CD1-CG2 3.97Å; E511-T515 WeakPolarHBondContact O-CB 3.46Å; E511-T515 PolarHBondContact O-N 3.28Å; E511-T515 PolarHBondContact O-OG1 3.18Å; M512-T515 PolarHBondContact O-N 2.75Å; T515-A519 WeakPolarHBondContact O-CB 3.17Å; T515-A519 PolarHBondContact O-N 3.06Å
516	V	98.5	Very high	97.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-42.8	177.8	174.5	0	0	0	0	110.9	I163 M165 F441 I483 F502 M512 L513 D514 A519 L520	I163-V516 HydrophobicContact CB-CG2 4.45Å; I163-V516 HydrophobicContact CD1-CG2 4.16Å; I163-V516 HydrophobicContact CG2-CG2 3.9Å; M165-V516 HydrophobicContact CE-CG1 4.3Å; M165-V516 HydrophobicContact CG-CG1 4.25Å; M165-V516 HydrophobicContact CG-CG2 3.91Å; M165-V516 HydrophobicContact SD-CG2 4.17Å; F441-V516 HydrophobicContact CE2-CB 4.46Å; F441-V516 HydrophobicContact CE2-CG1 3.87Å; F441-V516 HydrophobicContact CZ-CG1 4.12Å; I483-V516 HydrophobicContact CD1-CB 4.4Å; I483-V516 HydrophobicContact CD1-CG2 4.09Å; I483-V516 HydrophobicContact CG1-CG2 4.15Å; I483-V516 HydrophobicContact CG2-CG1 4.35Å; I483-V516 HydrophobicContact CG2-CG2 3.98Å; F502-V516 HydrophobicContact CE1-CG1 4.34Å; M512-V516 WeakPolarHBondContact O-CG2 3.4Å; M512-V516 PolarHBondContact O-N 3Å; M512-V516 VanDerWaalsContact O-N 3.09Å; L513-V516 PolarHBondContact O-N 3.5Å; D514-V516 VanDerWaalsContact C-N 3.28Å; D514-V516 PolarHBondContact O-N 3.19Å; V516-A519 PolarHBondContact O-N 2.95Å; V516-L520 HydrophobicContact CG1-CD1 3.8Å; V516-L520 HydrophobicContact CG1-CG 4.25Å; V516-L520 WeakPolarHBondContact O-CB 3.17Å; V516-L520 WeakPolarHBondContact O-CG 3.23Å; V516-L520 PolarHBondContact O-N 3.37Å
517	L	98.6	Very high	97.4	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-42	179.7	-74.8	167.7	0	0	0	112	Y440 F441 R444 L445 M448 L513 D514 L520 D521	Y440-L517 HydrophobicContact CE1-CD1 3.7Å; F441-L517 HydrophobicContact CD2-CD1 4.38Å; F441-L517 HydrophobicContact CD2-CD2 3.82Å; F441-L517 HydrophobicContact CD2-CG 3.96Å; F441-L517 HydrophobicContact CE2-CD2 3.78Å; F441-L517 HydrophobicContact CE2-CG 3.98Å; R444-L517 HydrophobicContact CB-CD1 3.6Å; R444-L517 HydrophobicContact CB-CD2 3.65Å; R444-L517 HydrophobicContact CB-CG 4.26Å; R444-L517 HydrophobicContact CG-CD1 3.76Å; L445-L517 HydrophobicContact CD2-CD2 3.77Å; L445-L517 HydrophobicContact CG-CD2 4.07Å; M448-L517 HydrophobicContact CE-CB 3.86Å; M448-L517 HydrophobicContact CE-CD2 4.32Å; M448-L517 WeakPolarHBondContact CE-O 3.22Å; M448-L517 HydrophobicContact SD-CD2 4.22Å; L513-L517 WeakPolarHBondContact O-CB 3.38Å; L513-L517 VanDerWaalsContact O-CG 3.23Å; L513-L517 WeakPolarHBondContact O-CG 3.46Å; L513-L517 PolarHBondContact O-N 2.75Å; D514-L517 PolarHBondContact O-N 3.11Å; D514-L517 VanDerWaalsContact O-N 3.12Å; L517-L520 PolarHBondContact O-N 2.88Å; L517-D521 PolarHBondContact O-N 2.77Å
518	E	98.3	Very high	97.3	Very high	138 Å²	138	54.1 Å²	54.1	65%	0.645	27%	0.268	S	S	*	.	H	α-helix	trans	-60.5	-47.4	174.4	-73	173.2	-174.6	0	0	111.7	D514 L520 D521 E522	D514-E518 WeakPolarHBondContact O-CG 3.3Å; D514-E518 PolarHBondContact O-N 3Å; E518-L520 VanDerWaalsContact C-N 3.27Å; E518-L520 PolarHBondContact O-N 3.31Å; E518-D521 PolarHBondContact O-N 2.74Å; E518-E522 PolarHBondContact O-N 3.34Å; E518-E522 VanDerWaalsContact O-N 3.15Å
519	A	98.1	Very high	97.1	Very high	6 Å²	6	54 Å²	54	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-38.9	175.2	0	0	0	0	0	112	M478 K481 I483 T515 V516 M523	M478-A519 HydrophobicContact CE-CB 4.3Å; M478-A519 HydrophobicContact SD-CB 4.42Å; K481-A519 HydrophobicContact CD-CB 3.56Å; I483-A519 HydrophobicContact CD1-CB 3.38Å; T515-A519 WeakPolarHBondContact O-CB 3.17Å; T515-A519 PolarHBondContact O-N 3.06Å; V516-A519 PolarHBondContact O-N 2.95Å; A519-M523 WeakPolarHBondContact O-CB 3.45Å; A519-M523 WeakPolarHBondContact O-CG 3.32Å; A519-M523 PolarHBondContact O-N 2.91Å
520	L	98	Very high	96.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-42.3	176.9	-73.1	173.2	0	0	0	111.9	F441 L445 F450 L463 F474 M478 F502 V516 L517 E518 E522 M523 G524	F441-L520 HydrophobicContact CE2-CD1 4.17Å; F441-L520 HydrophobicContact CZ-CD1 3.82Å; L445-L520 HydrophobicContact CD2-CB 4.45Å; L445-L520 HydrophobicContact CD2-CD1 3.63Å; F450-L520 HydrophobicContact CE2-CB 4.45Å; F450-L520 VanDerWaalsContact CZ-O 3.29Å; F450-L520 WeakPolarHBondContact CZ-O 3.47Å; L463-L520 HydrophobicContact CD1-CD2 4.43Å; F474-L520 HydrophobicContact CE1-CD2 4.5Å; F474-L520 HydrophobicContact CE2-CD2 3.79Å; F474-L520 HydrophobicContact CZ-CD2 3.38Å; M478-L520 HydrophobicContact CE-CD2 3.71Å; M478-L520 HydrophobicContact CE-CG 4.02Å; M478-L520 HydrophobicContact SD-CD2 4.07Å; F502-L520 HydrophobicContact CE1-CD1 4.21Å; F502-L520 HydrophobicContact CE1-CD2 4.4Å; F502-L520 HydrophobicContact CE2-CD2 4.35Å; F502-L520 HydrophobicContact CZ-CD1 4.06Å; F502-L520 HydrophobicContact CZ-CD2 3.71Å; F502-L520 HydrophobicContact CZ-CG 4.48Å; V516-L520 HydrophobicContact CG1-CD1 3.8Å; V516-L520 HydrophobicContact CG1-CG 4.25Å; V516-L520 WeakPolarHBondContact O-CB 3.17Å; V516-L520 WeakPolarHBondContact O-CG 3.23Å; V516-L520 PolarHBondContact O-N 3.37Å; L517-L520 PolarHBondContact O-N 2.88Å; E518-L520 VanDerWaalsContact C-N 3.27Å; E518-L520 PolarHBondContact O-N 3.31Å; L520-E522 PolarHBondContact O-N 2.86Å; L520-M523 CarbonylContact O-C 3.44Å; L520-M523 PolarHBondContact O-N 3.31Å; L520-G524 WeakPolarHBondContact O-CA 3.33Å; L520-G524 PolarHBondContact O-N 3.03Å
521	D	97.3	Very high	96.6	Very high	56 Å²	56	49.9 Å²	49.9	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-48.4	179.1	-162.7	45.2	0	0	0	111.4	M448 L517 E518 M523 G524 D525 K530	M448-D521 HydrophobicContact CE-CB 4Å; M448-D521 HydrophobicContact SD-CB 4.1Å; L517-D521 PolarHBondContact O-N 2.77Å; E518-D521 PolarHBondContact O-N 2.74Å; D521-M523 PolarHBondContact O-N 2.61Å; D521-G524 WeakPolarHBondContact O-CA 3.45Å; D521-G524 PolarHBondContact O-N 2.94Å; D521-G524 VanDerWaalsContact O-N 3.13Å; D521-D525 PolarHBondContact O-N 3.27Å; D521-D525 VanDerWaalsContact O-N 3.12Å; D521-K530 PolarHBondContact O-NZ 3Å; D521-K530 WeakPolarHBondContact OD1-CE 3.43Å; D521-K530 IonicContact OD1-NZ 3.46Å; D521-K530 PolarHBondContact OD1-NZ 3.32Å; D521-K530 IonicContact OD2-NZ 2.61Å
522	E	96.9	Very high	96.1	Very high	102 Å²	102	45.1 Å²	45.1	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-46.7	175.1	-174.7	-171.5	145	0	0	111.8	K481 E518 L520 G524 D525 L526	K481-E522 WeakPolarHBondContact CE-OE1 3.45Å; K481-E522 WeakPolarHBondContact CE-OE2 3.25Å; K481-E522 IonicContact NZ-OE1 3.36Å; K481-E522 PolarHBondContact NZ-OE1 3.22Å; K481-E522 IonicContact NZ-OE2 3.3Å; K481-E522 PolarHBondContact NZ-OE2 3.47Å; E518-E522 PolarHBondContact O-N 3.34Å; E518-E522 VanDerWaalsContact O-N 3.15Å; L520-E522 PolarHBondContact O-N 2.86Å; E522-G524 VanDerWaalsContact C-N 3.25Å; E522-G524 PolarHBondContact O-N 3.47Å; E522-D525 PolarHBondContact O-N 3.32Å; E522-L526 WeakPolarHBondContact O-CB 3.46Å; E522-L526 PolarHBondContact O-N 3.47Å
523	M	95.3	Very high	95.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-31.3	176.8	-72.3	-53	-54.1	0	0	112.4	F474 H477 M478 A519 L520 D521 D525 L526 L527	F474-M523 HydrophobicContact CD2-CB 4.4Å; F474-M523 HydrophobicContact CE2-CB 4.31Å; H477-M523 HydrophobicContact CB-CE 3.58Å; H477-M523 HydrophobicContact CB-SD 3.48Å; H477-M523 WeakPolarHBondContact CB-SD 3.5Å; M478-M523 HydrophobicContact SD-CG 3.93Å; A519-M523 WeakPolarHBondContact O-CB 3.45Å; A519-M523 WeakPolarHBondContact O-CG 3.32Å; A519-M523 PolarHBondContact O-N 2.91Å; L520-M523 CarbonylContact O-C 3.44Å; L520-M523 PolarHBondContact O-N 3.31Å; D521-M523 PolarHBondContact O-N 2.61Å; M523-D525 VanDerWaalsContact C-N 3.31Å; M523-L526 HydrophobicContact CE-CD2 4.03Å; M523-L526 HydrophobicContact SD-CD2 4.01Å; M523-L527 HydrophobicContact CE-CD1 3.44Å; M523-L527 VanDerWaalsContact CE-CD1 3.44Å; M523-L527 HydrophobicContact CE-CG 3.75Å; M523-L527 WeakPolarHBondContact O-CB 3.28Å; M523-L527 PolarHBondContact O-N 2.82Å
524	G	95.2	Very high	94.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-40.4	175.4	0	0	0	0	0	112	L520 D521 E522 Q528 L529	L520-G524 WeakPolarHBondContact O-CA 3.33Å; L520-G524 PolarHBondContact O-N 3.03Å; D521-G524 WeakPolarHBondContact O-CA 3.45Å; D521-G524 PolarHBondContact O-N 2.94Å; D521-G524 VanDerWaalsContact O-N 3.13Å; E522-G524 VanDerWaalsContact C-N 3.25Å; E522-G524 PolarHBondContact O-N 3.47Å; G524-Q528 CarbonylContact O-C 3.53Å; G524-Q528 WeakPolarHBondContact O-CA 3.45Å; G524-Q528 PolarHBondContact O-N 2.98Å; G524-L529 PolarHBondContact O-N 3.48Å
525	D	95.8	Very high	92.1	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	31%	0.309	S	S	.	.	H	α-helix	trans	-76.7	-46.6	176.2	-66.7	-28.8	0	0	0	111.6	D521 E522 M523 L527 Q528 K530	D521-D525 PolarHBondContact O-N 3.27Å; D521-D525 VanDerWaalsContact O-N 3.12Å; E522-D525 PolarHBondContact O-N 3.32Å; M523-D525 VanDerWaalsContact C-N 3.31Å; D525-L527 PolarHBondContact O-N 3.37Å; D525-Q528 PolarHBondContact O-N 3.38Å; D525-K530 WeakPolarHBondContact OD1-CD 3.36Å; D525-K530 VanDerWaalsContact OD1-CE 3.3Å; D525-K530 WeakPolarHBondContact OD1-CE 3.47Å; D525-K530 IonicContact OD1-NZ 3.39Å; D525-K530 PolarHBondContact OD1-NZ 3.2Å; D525-K530 IonicContact OD2-NZ 3.54Å; D525-K530 PolarHBondContact OD2-NZ 3.36Å
526	L	96.2	Very high	90	Very high	106 Å²	106	71.9 Å²	71.9	56%	0.555	33%	0.332	S	S	*	.	H	α-helix	trans	-58.8	-45.5	-179.6	179.3	63.8	0	0	0	112.4	E522 M523	E522-L526 WeakPolarHBondContact O-CB 3.46Å; E522-L526 PolarHBondContact O-N 3.47Å; M523-L526 HydrophobicContact CE-CD2 4.03Å; M523-L526 HydrophobicContact SD-CD2 4.01Å
527	L	95.3	Very high	87.1	Confident	26 Å²	26	76.3 Å²	76.3	14%	0.136	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.3	-178.6	-62.7	179.8	0	0	0	112.9	K470 A473 F474 M523 D525 L529	K470-L527 HydrophobicContact CD-CB 4.47Å; K470-L527 WeakPolarHBondContact CD-O 3.36Å; K470-L527 WeakPolarHBondContact CE-O 3.26Å; K470-L527 PolarHBondContact NZ-O 3.23Å; A473-L527 HydrophobicContact CB-CD1 4.26Å; A473-L527 HydrophobicContact CB-CD2 3.97Å; F474-L527 HydrophobicContact CB-CD1 3.88Å; F474-L527 HydrophobicContact CD2-CD1 4.18Å; M523-L527 HydrophobicContact CE-CD1 3.44Å; M523-L527 VanDerWaalsContact CE-CD1 3.44Å; M523-L527 HydrophobicContact CE-CG 3.75Å; M523-L527 WeakPolarHBondContact O-CB 3.28Å; M523-L527 PolarHBondContact O-N 2.82Å; D525-L527 PolarHBondContact O-N 3.37Å; L527-L529 HydrophobicContact CB-CD1 3.75Å; L527-L529 HydrophobicContact CB-CD2 4.46Å; L527-L529 HydrophobicContact CB-CG 3.74Å; L527-L529 HydrophobicContact CD1-CD1 4.05Å
528	Q	94.6	Very high	84	Confident	145 Å²	145	81.1 Å²	81.1	68%	0.678	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	63.4	-175.8	-59.6	-177.7	-21.2	0	0	112.2	K470 G524 D525 Y531	K470-Q528 PolarHBondContact NZ-O 3.37Å; G524-Q528 CarbonylContact O-C 3.53Å; G524-Q528 WeakPolarHBondContact O-CA 3.45Å; G524-Q528 PolarHBondContact O-N 2.98Å; D525-Q528 PolarHBondContact O-N 3.38Å; Q528-Y531 WeakPolarHBondContact O-CE1 3.33Å; Q528-Y531 PolarHBondContact O-OH 3.09Å
529	L	94.1	Very high	80.9	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	41%	0.411	C	S	.	.			trans	-108.2	-3.5	-175.7	-64.6	171.2	0	0	0	113.9	F450 L465 K470 F474 G524 L527 Y531	F450-L529 HydrophobicContact CD1-CB 4.25Å; F450-L529 HydrophobicContact CE1-CB 3.86Å; L465-L529 HydrophobicContact CD2-CD1 3.61Å; L465-L529 HydrophobicContact CD2-CD2 4.17Å; L465-L529 HydrophobicContact CD2-CG 4.49Å; K470-L529 HydrophobicContact CD-CD2 3.72Å; F474-L529 HydrophobicContact CD2-CD1 3.84Å; F474-L529 HydrophobicContact CE2-CD1 4.18Å; G524-L529 PolarHBondContact O-N 3.48Å; L527-L529 HydrophobicContact CB-CD1 3.75Å; L527-L529 HydrophobicContact CB-CD2 4.46Å; L527-L529 HydrophobicContact CB-CG 3.74Å; L527-L529 HydrophobicContact CD1-CD1 4.05Å; L529-Y531 VanDerWaalsContact C-N 3.3Å; L529-Y531 HydrophobicContact CB-CE2 4.41Å; L529-Y531 HydrophobicContact CD2-CE2 3.93Å; L529-Y531 WeakPolarHBondContact O-CD2 3.46Å; L529-Y531 PolarHBondContact O-N 2.88Å
530	K	93.6	Very high	78.2	Confident	64 Å²	64	89.4 Å²	89.4	28%	0.278	44%	0.442	S	S	.	.			trans	-81.5	73.6	179.2	-62.1	174.6	176.5	173.1	0	110.8	M448 G449 F450 D521 D525	M448-K530 VanDerWaalsContact O-CD 3.26Å; M448-K530 WeakPolarHBondContact O-CD 3.22Å; M448-K530 VanDerWaalsContact O-CG 3.32Å; M448-K530 WeakPolarHBondContact O-CG 3.42Å; G449-K530 CarbonylContact O-C 3.52Å; G449-K530 VanDerWaalsContact O-CA 3.22Å; G449-K530 WeakPolarHBondContact O-CA 3.34Å; F450-K530 HydrophobicContact CE1-CG 4.21Å; F450-K530 HydrophobicContact CZ-CG 4.15Å; D521-K530 PolarHBondContact O-NZ 3Å; D521-K530 WeakPolarHBondContact OD1-CE 3.43Å; D521-K530 IonicContact OD1-NZ 3.46Å; D521-K530 PolarHBondContact OD1-NZ 3.32Å; D521-K530 IonicContact OD2-NZ 2.61Å; D525-K530 WeakPolarHBondContact OD1-CD 3.36Å; D525-K530 VanDerWaalsContact OD1-CE 3.3Å; D525-K530 WeakPolarHBondContact OD1-CE 3.47Å; D525-K530 IonicContact OD1-NZ 3.39Å; D525-K530 PolarHBondContact OD1-NZ 3.2Å; D525-K530 IonicContact OD2-NZ 3.54Å; D525-K530 PolarHBondContact OD2-NZ 3.36Å
531	Y	90.1	Very high	75.5	Confident	32 Å²	32	97.6 Å²	97.6	13%	0.125	48%	0.48	C	S	.	.			trans	-91	-11.9	-170.5	-63.7	-59	0	0	0	115.7	V62 G449 Y466 K470 Q528 L529 R533	V62-Y531 HydrophobicContact CG1-CE1 4.31Å; V62-Y531 HydrophobicContact CG1-CE2 4.26Å; V62-Y531 HydrophobicContact CG2-CD1 3.56Å; V62-Y531 HydrophobicContact CG2-CE1 3.36Å; V62-Y531 HydrophobicContact CG2-CG 4.25Å; G449-Y531 PolarHBondContact O-N 3.23Å; G449-Y531 VanDerWaalsContact O-N 3.08Å; Y466-Y531 AromaticContact CD2-CD2 3.8Å; Y466-Y531 HydrophobicContact CD2-CD2 3.8Å; Y466-Y531 AromaticContact CD2-CE2 3.52Å; Y466-Y531 HydrophobicContact CD2-CE2 3.52Å; Y466-Y531 AromaticContact CE2-CD2 3.5Å; Y466-Y531 HydrophobicContact CE2-CD2 3.5Å; Y466-Y531 VanDerWaalsContact CE2-CD2 3.5Å; Y466-Y531 AromaticContact CE2-CE2 3.75Å; Y466-Y531 HydrophobicContact CE2-CE2 3.75Å; Y466-Y531 HydrophobicContact CE2-CG 4.37Å; K470-Y531 PolarHBondContact NZ-OH 3.26Å; Q528-Y531 WeakPolarHBondContact O-CE1 3.33Å; Q528-Y531 PolarHBondContact O-OH 3.09Å; L529-Y531 VanDerWaalsContact C-N 3.3Å; L529-Y531 HydrophobicContact CB-CE2 4.41Å; L529-Y531 HydrophobicContact CD2-CE2 3.93Å; L529-Y531 WeakPolarHBondContact O-CD2 3.46Å; L529-Y531 PolarHBondContact O-N 2.88Å; Y531-R533 PolarHBondContact O-N 3.27Å
532	S	89.3	Confident	72.6	Confident	25 Å²	25	102.7 Å²	102.7	18%	0.175	51%	0.506	C	S	.	.			trans	-64.3	134.6	-171.2	-174.7	0	0	0	0	111.5	E56 G449 H534	E56-S532 WeakPolarHBondContact OE1-CA 3.47Å; E56-S532 WeakPolarHBondContact OE2-CA 3.47Å; E56-S532 VanDerWaalsContact OE2-CB 3.31Å; E56-S532 WeakPolarHBondContact OE2-CB 3.47Å; E56-S532 PolarHBondContact OE2-OG 3.24Å; G449-S532 VanDerWaalsContact O-CB 3.28Å; G449-S532 WeakPolarHBondContact O-CB 3.33Å; G449-S532 PolarHBondContact O-N 3.45Å; S532-H534 VanDerWaalsContact C-N 3.34Å; S532-H534 PolarHBondContact OG-N 3.37Å
533	R	83.9	Confident	69.7	Low	165 Å²	165	109 Å²	109	62%	0.623	53%	0.528	S	S	*	.			trans	-84.1	-16	173.9	-59.2	177	-170	165.9	12.5	111.7	E56 Y531 K535	E56-R533 WeakPolarHBondContact OE1-CB 3.12Å; E56-R533 PolarHBondContact OE1-N 3Å; Y531-R533 PolarHBondContact O-N 3.27Å; R533-K535 PolarHBondContact O-N 3.25Å
534	H	75.3	Confident	67	Low	133 Å²	133	114.8 Å²	114.8	62%	0.616	56%	0.558	S	S	*	*			trans	-74.1	76.9	177.7	-65.3	-59.4	0	0	0	109.9	E56 S532 K536	E56-H534 IonicContact OE2-CD2 2.63Å; E56-H534 PolarHBondContact OE2-CD2 3.08Å; S532-H534 VanDerWaalsContact C-N 3.34Å; S532-H534 PolarHBondContact OG-N 3.37Å; H534-K536 PolarHBondContact O-N 2.95Å
535	K	52.3	Low	64	Low	205 Å²	205	124.3 Å²	124.3	89%	0.891	60%	0.603	S	S	*	*			trans	-67.9	110.9	161.6	-78.1	-173.1	176.3	-176.7	0	108.1	R533	R533-K535 PolarHBondContact O-N 3.25Å
536	K	54.3	Low	61.1	Low	204 Å²	204	125.6 Å²	125.6	89%	0.887	61%	0.614	S	S	*	*			trans	-111.1	138	161.4	-93.3	-173.5	176.1	179.7	0	111.5	H534	H534-K536 PolarHBondContact O-N 2.95Å
537	S	37.6	Very low	58.1	Low	94 Å²	94	124.5 Å²	124.5	66%	0.657	62%	0.616	S	S	*	*			trans	-42.9	140.8	-176.1	150.1	0	0	0	0	114.5	R539	S537-R539 PolarHBondContact O-N 3.29Å
538	A	33.5	Very low	55.3	Low	104 Å²	104	132.9 Å²	132.9	86%	0.86	65%	0.651	S	S	*	*	S	Bend	trans	-66	59.6	169.6	0	0	0	0	0	113.4
539	R	33.3	Very low	52.4	Low	211 Å²	211	134.7 Å²	134.7	80%	0.796	66%	0.66	S	S	*	*			trans	-138	95.1	169.2	-73.9	-168	179.2	-175.8	-0.6	110.5	S537 E541	S537-R539 PolarHBondContact O-N 3.29Å; R539-E541 VanDerWaalsContact C-N 3.3Å; R539-E541 PolarHBondContact O-N 3.14Å
540	P	40.4	Very low	49.7	Very low	108 Å²	108	141.7 Å²	141.7	70%	0.701	70%	0.696	S	S	*	*			trans	-90.4	60.6	172.6	36.6	-30.7	0	0	0	110.1
541	E	42.3	Very low	46.8	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	73%	0.728	S	S	*	*			trans	-144.9	138.3	171.3	-68.4	-174.9	-178	0	0	108.9	R539	R539-E541 VanDerWaalsContact C-N 3.3Å; R539-E541 PolarHBondContact O-N 3.14Å
542	L	36.5	Very low	44.2	Very low	162 Å²	162	157.9 Å²	157.9	85%	0.848	78%	0.782	S	S	*	*			trans	95	61.2	-178.5	-53.5	162.2	0	0	0	116.2
543	Y	35.7	Very low	42	Very low	236 Å²	236	164.6 Å²	164.6	93%	0.925	81%	0.812	S	S	*	*	S	Bend	trans	-137	93.8	142	-82.7	-81.1	0	0	0	108.8
544	D	37.4	Very low	39.8	Very low	121 Å²	121	164.5 Å²	164.5	65%	0.647	82%	0.822	S	S	*	*			trans	36.8	90.8	161.8	-79.4	-32.7	0	0	0	119.6
545	E	32.2	Very low	37.8	Very low	201 Å²	201	166.3 Å²	166.3	94%	0.939	83%	0.833	S	S	*	*	S	Bend	trans	-94.2	7.8	145.3	-80.3	-163.7	155.4	0	0	112.6
546	T	34.5	Very low	36.9	Very low	124 Å²	124	164 Å²	164	76%	0.761	83%	0.83	S	S	*	*			trans	-122.2	68.9	-178.6	49.4	0	0	0	0	112.1
547	S	33.6	Very low	35.9	Very low	83 Å²	83	161.5 Å²	161.5	58%	0.58	83%	0.827	S	S	*	*	S	Bend	trans	-154.6	28.5	160.1	85.1	0	0	0	0	114.7
548	F	37.7	Very low	35.8	Very low	202 Å²	202	166 Å²	166	89%	0.886	84%	0.838	S	S	*	*			trans	-138.5	58.5	169.3	-79.4	-78.6	0	0	0	110.2
549	E	33.7	Very low	35.9	Very low	182 Å²	182	170.4 Å²	170.4	85%	0.85	84%	0.836	S	S	*	*	S	Bend	trans	-123.5	114.7	155.5	-73	-168.8	162.6	0	0	108.4
550	L	35.9	Very low	36.1	Very low	147 Å²	147	167.3 Å²	167.3	77%	0.77	84%	0.839	S	S	*	*			trans	54.9	106.3	145.4	-59.8	163.1	0	0	0	118.5
551	E	32.4	Very low	35.8	Very low	204 Å²	204	172.3 Å²	172.3	95%	0.953	85%	0.851	S	S	*	*				-126	131.8	129.5	-75.8	-173.5	166.5	0	0	107.6
552	D	37.2	Very low	35.2	Very low	233 Å²	233	172.3 Å²	172.3	100%	1.246	86%	0.855	S	S	*	*			trans	-57.5	0	-171.5	-68.1	-51.5	0	0	0	116

Retrieved 552 of 552 residues in 1662.6 ms (Link to these results)

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