A0A077ZI07_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZI07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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	35.3	Very low	37	Very low	233 Å²	233	151.9 Å²	151.9	100%	1.148	87%	0.872	S	S	*	*				0	73.5	0	-67.1	179.6	165	0	0	107
2	T	36.4	Very low	37.3	Very low	140 Å²	140	153.9 Å²	153.9	86%	0.859	88%	0.876	S	S	*	*				62.3	116.8	101.9	53.1	0	0	0	0	111.7
3	A	41.3	Very low	37.2	Very low	104 Å²	104	147.3 Å²	147.3	86%	0.86	86%	0.862	S	S	*	*			cis	-157.2	152.3	35	0	0	0	0	0	113.5
4	H	36.8	Very low	37.4	Very low	167 Å²	167	155 Å²	155	77%	0.773	87%	0.87	S	S	*	*			trans	-79.2	150.3	167.5	-75.9	-81.1	0	0	0	111.8
5	L	43.7	Very low	37.2	Very low	185 Å²	185	150.7 Å²	150.7	97%	0.969	86%	0.861	S	S	*	*			trans	-140	129.7	146	-94.8	167.9	0	0	0	110.2
6	R	32.9	Very low	37.6	Very low	202 Å²	202	148.2 Å²	148.2	76%	0.762	85%	0.852	S	S	*	*			trans	-107	150.8	-168	-79.3	178.4	171.6	175.3	-3	111.2
7	F	31.9	Very low	37.6	Very low	200 Å²	200	148.6 Å²	148.6	88%	0.877	85%	0.85	S	S	*	*			trans	29.1	131.8	138	-73	-92.9	0	0	0	121.2
8	A	38.5	Very low	37.3	Very low	105 Å²	105	148.7 Å²	148.7	87%	0.868	85%	0.846	S	S	*	*			trans	-159.5	117	133	0	0	0	0	0	111.7
9	S	34.6	Very low	37.2	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	85%	0.846	S	S	*	*			trans	-89.9	138.2	161.8	52.9	0	0	0	0	109.6
10	A	39.6	Very low	36.9	Very low	103 Å²	103	144.9 Å²	144.9	85%	0.851	84%	0.838	S	S	*	*			trans	-141.9	118.6	167.3	0	0	0	0	0	110.8
11	S	35.6	Very low	36.9	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	84%	0.838	S	S	*	*			trans	-91.6	131.5	170.6	53.2	0	0	0	0	110.6
12	L	41.2	Very low	36.9	Very low	176 Å²	176	143 Å²	143	92%	0.921	82%	0.823	S	S	*	*			trans	-166.1	115.9	159.9	-89.7	133.5	0	0	0	103.9
13	G	35.6	Very low	36.9	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	82%	0.822	S	S	*	*			cis	95.5	78.9	44.5	0	0	0	0	0	109.6
14	R	40.5	Very low	36.8	Very low	255 Å²	255	142.5 Å²	142.5	96%	0.962	82%	0.815	S	S	*	*			trans	-177.6	117.3	156.9	-105	165.6	-178	-176.6	0.6	112.2
15	A	34.2	Very low	36.7	Very low	90 Å²	90	139.5 Å²	139.5	74%	0.744	82%	0.819	S	S	*	*			trans	-108.3	-174.1	154.2	0	0	0	0	0	107.3
16	P	43.9	Very low	36.4	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	81%	0.81	S	S	*	*			cis	-133.3	177.9	-16.6	35.3	-16.1	0	0	0	112.9
17	L	36.4	Very low	36.6	Very low	155 Å²	155	138 Å²	138	81%	0.812	82%	0.815	S	S	*	*			trans	155.7	111.4	136.6	-92.2	148.3	0	0	0	113.8
18	L	32.4	Very low	36.7	Very low	150 Å²	150	134 Å²	134	79%	0.785	81%	0.812	S	S	*	*			trans	25.9	115.2	132.4	-92.6	150	0	0	0	119.4
19	V	36.1	Very low	36.5	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	81%	0.808	S	S	*	*				-151.6	123	123.8	173.5	0	0	0	0	108.3
20	A	31.9	Very low	36.4	Very low	84 Å²	84	134.6 Å²	134.6	69%	0.694	81%	0.81	S	S	*	*			trans	-82.4	141.2	170.7	0	0	0	0	0	110.5
21	L	36	Very low	36.2	Very low	161 Å²	161	132.8 Å²	132.8	84%	0.843	80%	0.801	S	S	*	*			trans	-158.1	129.6	153.9	-109.2	148	0	0	0	110.4
22	Q	34.8	Very low	36.3	Very low	178 Å²	178	136.4 Å²	136.4	83%	0.832	81%	0.806	S	S	*	*			trans	-60.3	134.6	-173.2	-67.1	153.2	-58.6	0	0	112.4
23	A	37.2	Very low	36.3	Very low	99 Å²	99	132.6 Å²	132.6	82%	0.818	80%	0.799	S	S	*	*			trans	-115.5	107.3	160.1	0	0	0	0	0	108.3	A25	A23-A25 PolarHBondContact O-N 3.05Å
24	N	38.8	Very low	37.2	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	80%	0.803	S	S	*	*			trans	-55.8	125.7	173.5	-81.5	-20.9	0	0	0	110.6	H26	N24-H26 PolarHBondContact O-N 3.38Å
25	A	35.4	Very low	38	Very low	104 Å²	104	125.4 Å²	125.4	86%	0.86	78%	0.775	S	S	*	*			trans	-70.7	92.1	163.3	0	0	0	0	0	108.9	A23	A23-A25 PolarHBondContact O-N 3.05Å
26	H	37.1	Very low	39.4	Very low	167 Å²	167	130 Å²	130	77%	0.773	78%	0.781	S	S	*	*			trans	-86.8	118.1	161.2	-85.8	-51.2	0	0	0	109.1	N24 S28	N24-H26 PolarHBondContact O-N 3.38Å; H26-S28 PolarHBondContact O-N 3.14Å; H26-S28 VanDerWaalsContact O-N 3.14Å
27	Q	35.8	Very low	40.4	Very low	187 Å²	187	127.6 Å²	127.6	87%	0.874	76%	0.761	S	S	*	*			trans	-49.1	113.6	166.4	-71.3	167.9	-31.4	0	0	109.6	S29	Q27-S29 VanDerWaalsContact C-N 3.33Å; Q27-S29 PolarHBondContact O-N 3.01Å
28	S	34.3	Very low	42.1	Very low	117 Å²	117	122.6 Å²	122.6	82%	0.818	74%	0.738	S	S	*	*			trans	-73.2	89.2	167.8	54.8	0	0	0	0	108.8	H26 S30	H26-S28 PolarHBondContact O-N 3.14Å; H26-S28 VanDerWaalsContact O-N 3.14Å; S28-S30 PolarHBondContact O-N 3.18Å
29	S	34.6	Very low	43.9	Very low	112 Å²	112	120.2 Å²	120.2	78%	0.783	73%	0.731	S	S	*	*			trans	-65.5	106	159.1	55.5	0	0	0	0	107.9	Q27 G31	Q27-S29 VanDerWaalsContact C-N 3.33Å; Q27-S29 PolarHBondContact O-N 3.01Å; S29-G31 PolarHBondContact O-N 2.87Å
30	S	33.8	Very low	45.5	Very low	124 Å²	124	114.8 Å²	114.8	87%	0.867	70%	0.699	S	S	*	*			trans	-70.2	77.5	170.4	55.6	0	0	0	0	109.8	S28	S28-S30 PolarHBondContact O-N 3.18Å
31	G	34.5	Very low	47.3	Very low	65 Å²	65	116.5 Å²	116.5	67%	0.67	69%	0.691	S	S	*	*			trans	-77.7	114.1	159.7	0	0	0	0	0	107.8	S29 A33	S29-G31 PolarHBondContact O-N 2.87Å; G31-A33 VanDerWaalsContact C-N 3.29Å; G31-A33 PolarHBondContact O-N 2.88Å
32	Q	37.9	Very low	48.7	Very low	190 Å²	190	115.3 Å²	115.3	89%	0.888	68%	0.675	S	S	*	*			trans	-60.8	98.3	164.1	-76.6	175.8	-24.7	0	0	107.1	V34	Q32-V34 PolarHBondContact O-N 2.98Å
33	A	41.8	Very low	50.1	Low	95 Å²	95	111.5 Å²	111.5	79%	0.785	67%	0.668	S	S	*	*			trans	-58.8	109.8	166.8	0	0	0	0	0	106.4	G31 A35	G31-A33 VanDerWaalsContact C-N 3.29Å; G31-A33 PolarHBondContact O-N 2.88Å; A33-A35 PolarHBondContact O-N 2.94Å
34	V	53.5	Low	51.6	Low	129 Å²	129	109 Å²	109	78%	0.782	65%	0.645	S	S	*	*			trans	-56	106.4	171.6	177.9	0	0	0	0	105.6	Q32 E36	Q32-V34 PolarHBondContact O-N 2.98Å; V34-E36 PolarHBondContact O-N 2.9Å
35	A	57.5	Low	53.3	Low	44 Å²	44	108.7 Å²	108.7	36%	0.364	64%	0.642	S	S	.	*			trans	-59	110.4	179.4	0	0	0	0	0	107.7	A33 I37	A33-A35 PolarHBondContact O-N 2.94Å; A35-I37 PolarHBondContact O-N 3Å
36	E	63.2	Low	55	Low	187 Å²	187	106.4 Å²	106.4	87%	0.874	62%	0.62	S	S	*	*			trans	-62.2	107.7	178.9	-69.1	-174.6	170.4	0	0	108.7	V34	V34-E36 PolarHBondContact O-N 2.9Å
37	I	65.2	Low	56.8	Low	59 Å²	59	99.7 Å²	99.7	30%	0.303	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-73.7	123.9	178.1	-58.3	170.4	0	0	0	106.9	A35 F210	A35-I37 PolarHBondContact O-N 3Å; I37-F210 HydrophobicContact CD1-CE2 4.31Å; I37-F210 HydrophobicContact CD1-CZ 4.09Å
38	P	73	Confident	58.7	Low	51 Å²	51	94.5 Å²	94.5	33%	0.331	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-60.7	148.8	177.7	23.7	-30.5	0	0	0	110	R165 G168	P38-R165 WeakPolarHBondContact CD-O 2.97Å; P38-R165 VanDerWaalsContact CG-O 3.27Å; P38-R165 WeakPolarHBondContact CG-O 3.27Å; P38-G168 WeakPolarHBondContact O-CA 3.21Å
39	P	70.4	Confident	61	Low	100 Å²	100	95.6 Å²	95.6	65%	0.649	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.7	175.6	26.2	-33.4	0	0	0	109.7	K41	P39-K41 PolarHBondContact O-N 3.43Å
40	P	68.1	Low	63.5	Low	24 Å²	24	97.6 Å²	97.6	16%	0.156	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-58.2	138.4	179.8	21.6	-32.4	0	0	0	110.4	R42 G168 Q170	P40-R42 VanDerWaalsContact O-CG 3.3Å; P40-R42 WeakPolarHBondContact O-CG 3.21Å; P40-R42 PolarHBondContact O-N 3.15Å; P40-G168 WeakPolarHBondContact CA-O 3.48Å; P40-G168 WeakPolarHBondContact CB-O 3.43Å; P40-Q170 HydrophobicContact CG-CG 4.29Å
41	K	70.5	Confident	66	Low	120 Å²	120	98.5 Å²	98.5	52%	0.522	54%	0.54	S	S	.	.			trans	-69.3	116	176.4	-71.9	-178.9	-178.6	171.4	0	109.9	P39	P39-K41 PolarHBondContact O-N 3.43Å
42	R	66.1	Low	68.6	Low	136 Å²	136	98.3 Å²	98.3	51%	0.513	54%	0.539	S	S	.	.			trans	-95	146.3	-174	-50.4	-177.8	-173	176	0.4	110.8	P40	P40-R42 VanDerWaalsContact O-CG 3.3Å; P40-R42 WeakPolarHBondContact O-CG 3.21Å; P40-R42 PolarHBondContact O-N 3.15Å
43	S	63.8	Low	70.9	Confident	97 Å²	97	96 Å²	96	68%	0.678	54%	0.54	S	S	*	.	S	Bend	trans	-82.4	-47.1	167.4	55.3	0	0	0	0	111.1	S47	S43-S47 PolarHBondContact OG-OG 2.76Å
44	S	68.6	Low	73	Confident	48 Å²	48	93.6 Å²	93.6	34%	0.336	52%	0.524	S	S	.	.			trans	-153.7	162.7	173.7	69.8	0	0	0	0	112.1	S46 S47	S44-S46 PolarHBondContact O-N 3.37Å; S44-S46 PolarHBondContact OG-OG 3.27Å; S44-S47 PolarHBondContact O-N 2.81Å; S44-S47 PolarHBondContact O-OG 3.47Å; S44-S47 PolarHBondContact OG-N 2.9Å
45	L	73.2	Confident	74.6	Confident	127 Å²	127	89 Å²	89	67%	0.665	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-65.2	-33.8	173.3	-71.3	171.6	0	0	0	111.8	S47 M48	L45-S47 PolarHBondContact O-N 2.96Å; L45-M48 PolarHBondContact O-N 3.26Å
46	S	71.7	Confident	76.1	Confident	55 Å²	55	92.2 Å²	92.2	39%	0.385	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-68.9	-21.6	-176.7	77.6	0	0	0	0	112.7	S44 M48 R51	S44-S46 PolarHBondContact O-N 3.37Å; S44-S46 PolarHBondContact OG-OG 3.27Å; S46-M48 PolarHBondContact O-N 2.84Å; S46-R51 VanDerWaalsContact CB-NH2 3.35Å; S46-R51 PolarHBondContact O-NH2 2.83Å
47	S	75.6	Confident	77.4	Confident	26 Å²	26	88.5 Å²	88.5	18%	0.182	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-79.2	-1.2	178.6	76.3	0	0	0	0	113.2	S43 S44 L45 F59 G61	S43-S47 PolarHBondContact OG-OG 2.76Å; S44-S47 PolarHBondContact O-N 2.81Å; S44-S47 PolarHBondContact O-OG 3.47Å; S44-S47 PolarHBondContact OG-N 2.9Å; L45-S47 PolarHBondContact O-N 2.96Å; S47-F59 VanDerWaalsContact O-CE1 3.22Å; S47-F59 WeakPolarHBondContact O-CE1 3.43Å; S47-F59 VanDerWaalsContact O-CZ 3.27Å; S47-F59 WeakPolarHBondContact O-CZ 3.44Å; S47-G61 CarbonylContact O-C 3.36Å; S47-G61 WeakPolarHBondContact O-CA 3.3Å
48	M	74.8	Confident	78.6	Confident	78 Å²	78	86.1 Å²	86.1	38%	0.384	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-91.2	-21.2	178.9	-60.5	-171.2	86.5	0	0	113	L45 S46	L45-M48 PolarHBondContact O-N 3.26Å; S46-M48 PolarHBondContact O-N 2.84Å
49	F	82.5	Confident	79.4	Confident	141 Å²	141	85.6 Å²	85.6	62%	0.618	48%	0.48	S	S	*	.	S	Bend	trans	-92	137.1	-173.9	-62.2	-74.4	0	0	0	110.9
50	E	87.3	Confident	80.2	Confident	154 Å²	154	81.2 Å²	81.2	72%	0.72	45%	0.452	S	S	*	.			trans	-60.5	137.9	170.5	-60.8	-169.4	158	0	0	110.3	F59 S60	E50-F59 CarbonylContact C-O 3.57Å; E50-F59 VanDerWaalsContact CA-O 3.23Å; E50-F59 WeakPolarHBondContact CA-O 3.33Å; E50-S60 WeakPolarHBondContact CG-O 3.21Å
51	R	87.4	Confident	81.2	Confident	142 Å²	142	80.7 Å²	80.7	54%	0.536	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-135.4	131.5	178.3	-63.3	176.4	179	-173.1	-9.1	110.2	S46 S58 F59	S46-R51 VanDerWaalsContact CB-NH2 3.35Å; S46-R51 PolarHBondContact O-NH2 2.83Å; R51-S58 WeakPolarHBondContact O-CB 3.41Å; R51-F59 HydrophobicContact CB-CB 4.35Å; R51-F59 PolarHBondContact N-O 3.47Å; R51-F59 PolarHBondContact O-N 3.17Å
52	G	87.6	Confident	82.2	Confident	62 Å²	62	76.6 Å²	76.6	64%	0.639	44%	0.435	S	S	*	.	S	Bend	trans	95.8	176.3	178.5	0	0	0	0	0	113.2	G54	G52-G54 PolarHBondContact O-N 3.27Å; G52-G54 VanDerWaalsContact O-N 3.09Å
53	P	87.3	Confident	83.5	Confident	140 Å²	140	71.2 Å²	71.2	91%	0.909	42%	0.417	S	S	*	.	S	Bend	trans	-76.8	9.9	-172.3	32.2	-36.7	0	0	0	114.3
54	G	85.8	Confident	85	Confident	45 Å²	45	66.6 Å²	66.6	46%	0.464	39%	0.385	S	S	.	.	S	Bend	trans	80.8	170.3	-161.9	0	0	0	0	0	112.6	G52 S58	G52-G54 PolarHBondContact O-N 3.27Å; G52-G54 VanDerWaalsContact O-N 3.09Å; G54-S58 VanDerWaalsContact CA-OG 3.3Å; G54-S58 WeakPolarHBondContact CA-OG 3.48Å
55	G	87.3	Confident	86.3	Confident	33 Å²	33	64.3 Å²	64.3	34%	0.34	37%	0.369	S	S	.	.	S	Bend	trans	99.5	-172.8	-179.1	0	0	0	0	0	113.9	C57 S58 K83 G85	G55-C57 PolarHBondContact O-N 3.19Å; G55-S58 PolarHBondContact N-OG 2.97Å; G55-S58 WeakPolarHBondContact O-CB 3.41Å; G55-S58 PolarHBondContact O-N 3.25Å; G55-S58 PolarHBondContact O-OG 3.05Å; G55-K83 CarbonylContact C-O 3.6Å; G55-K83 WeakPolarHBondContact CA-O 3.37Å; G55-G85 WeakPolarHBondContact O-CA 3.49Å; G55-G85 PolarHBondContact O-N 3.32Å
56	R	89.2	Confident	87.4	Confident	112 Å²	112	58.3 Å²	58.3	42%	0.423	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-40.1	-172.9	-72.3	-177.1	170.4	166.1	-5	113.7	S58 K83 E107 Q110	R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.49Å; R56-K83 HydrophobicContact CG-CG 4.2Å; R56-E107 HydrophobicContact CB-CG 3.99Å; R56-Q110 PolarHBondContact O-NE2 3.09Å; R56-Q110 PolarHBondContact O-OE1 2.97Å; R56-Q110 VanDerWaalsContact O-OE1 3.08Å
57	C	89.2	Confident	88.6	Confident	108 Å²	108	55.7 Å²	55.7	73%	0.73	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.9	-178.8	-51.8	0	0	0	0	113.8	G55	G55-C57 PolarHBondContact O-N 3.19Å
58	S	91.4	Very high	89.5	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.063	32%	0.318	C	S	.	.	S	Bend	trans	-77.1	167.4	178.7	72.3	0	0	0	0	111.1	R51 G54 G55 R56 G85 Q110	R51-S58 WeakPolarHBondContact O-CB 3.41Å; G54-S58 VanDerWaalsContact CA-OG 3.3Å; G54-S58 WeakPolarHBondContact CA-OG 3.48Å; G55-S58 PolarHBondContact N-OG 2.97Å; G55-S58 WeakPolarHBondContact O-CB 3.41Å; G55-S58 PolarHBondContact O-N 3.25Å; G55-S58 PolarHBondContact O-OG 3.05Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.49Å; S58-G85 CarbonylContact O-C 3.05Å; S58-G85 WeakPolarHBondContact O-CA 3.41Å; S58-Q110 PolarHBondContact O-NE2 3.47Å
59	F	89.4	Confident	90.5	Very high	40 Å²	40	51.4 Å²	51.4	18%	0.175	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-123	117.3	175.9	177.5	-105.5	0	0	0	108.6	S47 E50 R51 G61 G85 Q87	S47-F59 VanDerWaalsContact O-CE1 3.22Å; S47-F59 WeakPolarHBondContact O-CE1 3.43Å; S47-F59 VanDerWaalsContact O-CZ 3.27Å; S47-F59 WeakPolarHBondContact O-CZ 3.44Å; E50-F59 CarbonylContact C-O 3.57Å; E50-F59 VanDerWaalsContact CA-O 3.23Å; E50-F59 WeakPolarHBondContact CA-O 3.33Å; R51-F59 HydrophobicContact CB-CB 4.35Å; R51-F59 PolarHBondContact N-O 3.47Å; R51-F59 PolarHBondContact O-N 3.17Å; F59-G61 VanDerWaalsContact CE1-CA 3.44Å; F59-G85 WeakPolarHBondContact CA-O 3.37Å; F59-Q87 HydrophobicContact CD2-CG 4.37Å; F59-Q87 HydrophobicContact CE2-CG 4.05Å
60	S	88.3	Confident	90.9	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.063	28%	0.277	C	S	.	.			trans	-85.8	-6.2	-177.5	65.9	0	0	0	0	114.1	E50 N62 G85 T86	E50-S60 WeakPolarHBondContact CG-O 3.21Å; S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 PolarHBondContact OG-N 3.5Å; S60-G85 PolarHBondContact N-O 2.98Å; S60-T86 WeakPolarHBondContact OG-CA 3.43Å; S60-T86 WeakPolarHBondContact OG-CB 3.36Å; S60-T86 PolarHBondContact OG-OG1 3.22Å
61	G	88	Confident	91.1	Very high	13 Å²	13	40 Å²	40	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	75.5	-3.4	-171	0	0	0	0	0	115.2	S47 F59	S47-G61 CarbonylContact O-C 3.36Å; S47-G61 WeakPolarHBondContact O-CA 3.3Å; F59-G61 VanDerWaalsContact CE1-CA 3.44Å
62	N	91.3	Very high	91.3	Very high	34 Å²	34	36.6 Å²	36.6	18%	0.182	25%	0.249	C	C	.	.			trans	-96.5	144.2	178.7	-64	-45.7	0	0	0	111.5	S60 T86 Q87 N132 L133	S60-N62 PolarHBondContact O-N 3.11Å; S60-N62 PolarHBondContact OG-N 3.5Å; N62-T86 HydrophobicContact CB-CG2 3.74Å; N62-T86 WeakPolarHBondContact O-CG2 3.45Å; N62-Q87 PolarHBondContact O-N 2.91Å; N62-N132 PolarHBondContact OD1-ND2 3.44Å; N62-L133 HydrophobicContact CB-CD1 4.27Å
63	T	93.1	Very high	91.7	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.141	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	106.5	172.9	-53.5	0	0	0	0	109.1	Q87 I89 Y130 S131 N132 L133	T63-Q87 CarbonylContact C-O 3.58Å; T63-Q87 WeakPolarHBondContact CA-O 3.45Å; T63-Q87 HydrophobicContact CG2-CB 4.45Å; T63-I89 HydrophobicContact CG2-CD1 3.93Å; T63-I89 HydrophobicContact CG2-CG1 4.21Å; T63-Y130 WeakPolarHBondContact CB-O 3.3Å; T63-S131 CarbonylContact O-C 3.39Å; T63-S131 VanDerWaalsContact O-CA 3.25Å; T63-S131 WeakPolarHBondContact O-CA 3.21Å; T63-S131 WeakPolarHBondContact O-CB 3.46Å; T63-N132 VanDerWaalsContact C-OD1 3.25Å; T63-N132 WeakPolarHBondContact CA-OD1 3.11Å; T63-N132 PolarHBondContact N-OD1 3.5Å; T63-N132 PolarHBondContact O-N 2.83Å; T63-N132 PolarHBondContact O-OD1 3.24Å; T63-L133 PolarHBondContact O-N 2.71Å
64	C	95.2	Very high	92	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.7	-176	177.9	0	0	0	0	111.9	T86 Q87 L88 I89 L133	C64-T86 HydrophobicContact CB-CG2 4.08Å; C64-Q87 PolarHBondContact N-O 3.3Å; C64-L88 HydrophobicContact CB-CD2 3.59Å; C64-L88 CarbonylContact O-C 3.53Å; C64-L88 VanDerWaalsContact O-CA 3.32Å; C64-L88 WeakPolarHBondContact O-CA 3.3Å; C64-L88 WeakPolarHBondContact O-CD2 3.48Å; C64-I89 PolarHBondContact O-N 2.99Å; C64-L133 CarbonylContact C-O 3.58Å; C64-L133 VanDerWaalsContact CA-O 3.29Å; C64-L133 WeakPolarHBondContact CA-O 3.46Å; C64-L133 HydrophobicContact CB-CB 3.89Å; C64-L133 HydrophobicContact CB-CD1 4.44Å
65	T	96.8	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.5	169.2	-73.2	0	0	0	0	110.2	F67 I89 P91 A127 S131 L133 V134 V135	T65-F67 HydrophobicContact CG2-CD2 4.09Å; T65-F67 HydrophobicContact CG2-CE1 4.38Å; T65-F67 HydrophobicContact CG2-CE2 3.73Å; T65-F67 HydrophobicContact CG2-CZ 3.88Å; T65-I89 WeakPolarHBondContact CA-O 3.25Å; T65-I89 WeakPolarHBondContact OG1-CB 3.33Å; T65-P91 HydrophobicContact CG2-CG 3.89Å; T65-A127 PolarHBondContact OG1-O 3.32Å; T65-S131 PolarHBondContact OG1-OG 3.45Å; T65-L133 PolarHBondContact N-O 2.99Å; T65-V134 WeakPolarHBondContact O-CA 2.92Å; T65-V135 PolarHBondContact O-N 3.21Å
66	I	97.1	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	100.7	178.8	-53.1	173.5	0	0	0	109.8	A69 L78 I81 L88 I89 P91 V135 L137	I66-A69 HydrophobicContact CB-CB 4.18Å; I66-A69 HydrophobicContact CG2-CB 3.94Å; I66-L78 HydrophobicContact CD1-CB 4.23Å; I66-I81 HydrophobicContact CD1-CD1 3.7Å; I66-I81 HydrophobicContact CG1-CD1 4.41Å; I66-L88 HydrophobicContact CD1-CD1 3.98Å; I66-L88 HydrophobicContact CD1-CD2 3.98Å; I66-L88 HydrophobicContact CG1-CD2 4.36Å; I66-I89 PolarHBondContact N-O 3.3Å; I66-P91 WeakPolarHBondContact O-CD 3.45Å; I66-V135 HydrophobicContact CG2-CB 4.43Å; I66-L137 HydrophobicContact CG2-CD1 3.94Å
67	F	97	Very high	93.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132	168.8	-66.2	-75.5	0	0	0	110.3	T65 P91 Y116 L124 A127 V128 V134 V135 L137 I138 I160	T65-F67 HydrophobicContact CG2-CD2 4.09Å; T65-F67 HydrophobicContact CG2-CE1 4.38Å; T65-F67 HydrophobicContact CG2-CE2 3.73Å; T65-F67 HydrophobicContact CG2-CZ 3.88Å; F67-P91 HydrophobicContact CD1-CB 4.02Å; F67-P91 HydrophobicContact CD1-CG 3.37Å; F67-P91 HydrophobicContact CE1-CB 3.97Å; F67-P91 HydrophobicContact CE1-CG 3.6Å; F67-P91 HydrophobicContact CG-CG 4.04Å; F67-P91 HydrophobicContact CZ-CG 4.43Å; F67-Y116 AromaticContact CD1-CE2 3.94Å; F67-Y116 HydrophobicContact CD1-CE2 3.94Å; F67-Y116 HydrophobicContact CE1-CD2 4.34Å; F67-Y116 HydrophobicContact CE1-CE2 4.14Å; F67-L124 HydrophobicContact CD1-CD2 4.41Å; F67-L124 HydrophobicContact CE1-CD2 3.53Å; F67-L124 HydrophobicContact CZ-CD2 3.9Å; F67-A127 HydrophobicContact CZ-CB 4.47Å; F67-V128 HydrophobicContact CE2-CG2 3.9Å; F67-V128 HydrophobicContact CZ-CG2 3.72Å; F67-V134 HydrophobicContact CD2-CG1 3.83Å; F67-V134 HydrophobicContact CE2-CG1 3.71Å; F67-V135 PolarHBondContact N-O 2.67Å; F67-L137 WeakPolarHBondContact O-CA 3.41Å; F67-L137 VanDerWaalsContact O-CB 3.25Å; F67-L137 WeakPolarHBondContact O-CB 3.45Å; F67-L137 PolarHBondContact O-N 2.52Å; F67-I138 HydrophobicContact CB-CD1 3.59Å; F67-I138 HydrophobicContact CB-CG1 3.89Å; F67-I138 HydrophobicContact CD1-CD1 4.21Å; F67-I138 HydrophobicContact CG-CD1 4.12Å; F67-I160 HydrophobicContact CD1-CD1 4.36Å; F67-I160 HydrophobicContact CD2-CD1 4.1Å; F67-I160 HydrophobicContact CD2-CG1 4.47Å; F67-I160 HydrophobicContact CD2-CG2 3.97Å; F67-I160 HydrophobicContact CE2-CD1 4.4Å; F67-I160 HydrophobicContact CE2-CG1 4.29Å; F67-I160 HydrophobicContact CE2-CG2 3.76Å; F67-I160 HydrophobicContact CG-CD1 4.08Å; F67-I160 HydrophobicContact CZ-CG1 4.44Å
68	G	94.4	Very high	93.4	Very high	15 Å²	15	17 Å²	17	16%	0.155	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	18.1	-177.3	0	0	0	0	0	114.5	T70 G71	G68-T70 PolarHBondContact O-N 3.29Å; G68-T70 VanDerWaalsContact O-N 3.11Å; G68-G71 PolarHBondContact O-N 3.25Å
69	A	94.1	Very high	93.5	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	178.7	0	0	0	0	0	114	I66 G71 G74 T75 L78 V90 L102	I66-A69 HydrophobicContact CB-CB 4.18Å; I66-A69 HydrophobicContact CG2-CB 3.94Å; A69-G71 PolarHBondContact O-N 2.88Å; A69-G74 CarbonylContact O-C 3.56Å; A69-G74 WeakPolarHBondContact O-CA 3.28Å; A69-T75 PolarHBondContact O-N 3.44Å; A69-T75 PolarHBondContact O-OG1 3.5Å; A69-L78 HydrophobicContact CB-CD1 4.28Å; A69-V90 HydrophobicContact CB-CG1 3.62Å; A69-V90 HydrophobicContact CB-CG2 4.44Å; A69-L102 HydrophobicContact CB-CD1 4.46Å
70	T	92.1	Very high	93.8	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.147	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.2	178.7	60.3	0	0	0	0	114	G68 R94 L102	G68-T70 PolarHBondContact O-N 3.29Å; G68-T70 VanDerWaalsContact O-N 3.11Å; T70-R94 VanDerWaalsContact CB-NH2 3.29Å; T70-R94 PolarHBondContact O-NH2 2.91Å; T70-R94 PolarHBondContact OG1-NH2 2.99Å; T70-L102 HydrophobicContact CG2-CD1 4.47Å
71	G	91.1	Very high	94.1	Very high	31 Å²	31	19.3 Å²	19.3	32%	0.32	12%	0.122	S	C	.	.	S	Bend	trans	-85.5	177	175.6	0	0	0	0	0	112.8	G68 A69 G74 T75	G68-G71 PolarHBondContact O-N 3.25Å; A69-G71 PolarHBondContact O-N 2.88Å; G71-G74 PolarHBondContact O-N 2.57Å; G71-T75 WeakPolarHBondContact O-CB 3.4Å; G71-T75 PolarHBondContact O-N 3.44Å; G71-T75 PolarHBondContact O-OG1 3.28Å
72	M	91.8	Very high	94.3	Very high	70 Å²	70	18.7 Å²	18.7	35%	0.345	12%	0.116	S	C	.	.	H	α-helix	trans	-55.7	-55.4	177.3	-179.7	-174.3	81.3	0	0	112.1	I221 C223 D226 L260	M72-I221 HydrophobicContact CE-CB 4.11Å; M72-I221 HydrophobicContact CE-CG2 4.03Å; M72-C223 VanDerWaalsContact CG-SG 3.52Å; M72-C223 PolarHBondContact SD-SG 3.44Å; M72-D226 HydrophobicContact SD-CB 4.07Å; M72-L260 HydrophobicContact CG-CD2 4.32Å
73	V	95.1	Very high	94.4	Very high	22 Å²	22	22.6 Å²	22.6	13%	0.133	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-42.3	179.1	-176.4	0	0	0	0	111	T75 A76 L77 L137 F175 I221 L260 I264	V73-T75 PolarHBondContact O-N 3.44Å; V73-A76 PolarHBondContact O-N 3.26Å; V73-L77 WeakPolarHBondContact O-CB 3.39Å; V73-L77 PolarHBondContact O-N 3.37Å; V73-L137 HydrophobicContact CB-CD1 4.44Å; V73-L137 HydrophobicContact CG1-CD1 4.2Å; V73-L137 HydrophobicContact CG1-CD2 4.22Å; V73-F175 HydrophobicContact CG1-CE1 4.02Å; V73-F175 HydrophobicContact CG1-CZ 4.35Å; V73-I221 HydrophobicContact CG2-CD1 3.76Å; V73-L260 HydrophobicContact CB-CD1 4.29Å; V73-L260 HydrophobicContact CG1-CD1 4.3Å; V73-L260 HydrophobicContact CG2-CD1 3.99Å; V73-I264 HydrophobicContact CG1-CD1 3.76Å
74	G	94.6	Very high	94.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-40.3	-177.4	0	0	0	0	0	113.9	A69 G71 L77 L78	A69-G74 CarbonylContact O-C 3.56Å; A69-G74 WeakPolarHBondContact O-CA 3.28Å; G71-G74 PolarHBondContact O-N 2.57Å; G74-L77 PolarHBondContact O-N 2.97Å; G74-L78 WeakPolarHBondContact O-CB 3.34Å; G74-L78 PolarHBondContact O-N 2.98Å
75	T	94.2	Very high	94.1	Very high	38 Å²	38	23.8 Å²	23.8	23%	0.233	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-45.6	178.5	-62.8	0	0	0	0	110.6	A69 G71 V73 A79 H101 L102	A69-T75 PolarHBondContact O-N 3.44Å; A69-T75 PolarHBondContact O-OG1 3.5Å; G71-T75 WeakPolarHBondContact O-CB 3.4Å; G71-T75 PolarHBondContact O-N 3.44Å; G71-T75 PolarHBondContact O-OG1 3.28Å; V73-T75 PolarHBondContact O-N 3.44Å; T75-A79 WeakPolarHBondContact O-CB 3.27Å; T75-A79 PolarHBondContact O-N 3.43Å; T75-A79 VanDerWaalsContact O-N 3.12Å; T75-H101 PolarHBondContact OG1-NE2 2.8Å; T75-H101 VanDerWaalsContact OG1-NE2 3.13Å; T75-L102 HydrophobicContact CG2-CD2 3.73Å
76	A	94.9	Very high	93.9	Very high	28 Å²	28	23.8 Å²	23.8	23%	0.231	14%	0.139	C	C	.	.	H	α-helix	trans	-68.8	-39	178.7	0	0	0	0	0	112.4	V73 R80 L260 I264	V73-A76 PolarHBondContact O-N 3.26Å; A76-R80 PolarHBondContact O-N 3.37Å; A76-L260 HydrophobicContact CB-CD1 4.48Å; A76-L260 HydrophobicContact CB-CD2 3.8Å; A76-L260 HydrophobicContact CB-CG 4.16Å; A76-I264 HydrophobicContact CB-CD1 4.25Å; A76-I264 HydrophobicContact CB-CG1 3.85Å
77	L	96.1	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-49.3	176.7	-174.4	60	0	0	0	111.4	V73 G74 A79 R80 I81 V135 L137 I264 T267 M268	V73-L77 WeakPolarHBondContact O-CB 3.39Å; V73-L77 PolarHBondContact O-N 3.37Å; G74-L77 PolarHBondContact O-N 2.97Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 3.49Å; L77-R80 PolarHBondContact O-N 3.49Å; L77-I81 HydrophobicContact CD1-CD1 3.91Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; L77-I81 HydrophobicContact CD2-CD1 4.22Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 HydrophobicContact CG-CG1 4.34Å; L77-I81 PolarHBondContact O-N 2.89Å; L77-V135 HydrophobicContact CD2-CB 4.34Å; L77-V135 HydrophobicContact CD2-CG1 3.79Å; L77-V135 HydrophobicContact CD2-CG2 4.2Å; L77-L137 HydrophobicContact CD2-CD1 4.02Å; L77-I264 HydrophobicContact CB-CD1 3.78Å; L77-I264 HydrophobicContact CD1-CD1 4.28Å; L77-I264 HydrophobicContact CD1-CG2 3.89Å; L77-T267 HydrophobicContact CD1-CG2 3.87Å; L77-T267 HydrophobicContact CD2-CG2 4.09Å; L77-M268 HydrophobicContact CD1-CG 4.46Å; L77-M268 HydrophobicContact CD1-SD 4.4Å
78	L	95.5	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.1	-51.1	176.8	-178.9	154	0	0	0	110.5	I66 A69 G74 R80 I81 V82 L88 V90 L102	I66-L78 HydrophobicContact CD1-CB 4.23Å; A69-L78 HydrophobicContact CB-CD1 4.28Å; G74-L78 WeakPolarHBondContact O-CB 3.34Å; G74-L78 PolarHBondContact O-N 2.98Å; L78-R80 PolarHBondContact O-N 3.33Å; L78-R80 VanDerWaalsContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 2.93Å; L78-V82 HydrophobicContact CD2-CG2 4Å; L78-V82 HydrophobicContact CG-CG2 4.37Å; L78-V82 VanDerWaalsContact O-CG2 3.26Å; L78-V82 WeakPolarHBondContact O-CG2 3.44Å; L78-V82 PolarHBondContact O-N 3.46Å; L78-L88 HydrophobicContact CB-CD1 4.26Å; L78-L88 HydrophobicContact CD1-CD1 4.29Å; L78-L88 HydrophobicContact CD2-CD1 4.43Å; L78-L88 HydrophobicContact CG-CD1 3.6Å; L78-V90 HydrophobicContact CD1-CG2 3.48Å; L78-V90 VanDerWaalsContact CD1-CG2 3.48Å; L78-L102 HydrophobicContact CD1-CB 4.27Å; L78-L102 HydrophobicContact CD1-CD1 4.1Å; L78-L102 HydrophobicContact CD1-CD2 4.17Å; L78-L102 HydrophobicContact CD1-CG 4.41Å; L78-L102 HydrophobicContact CD2-CD2 4.41Å
79	A	94.1	Very high	93.6	Very high	30 Å²	30	26.5 Å²	26.5	25%	0.248	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-23.1	-179.5	0	0	0	0	0	113.7	T75 L77 K83	T75-A79 WeakPolarHBondContact O-CB 3.27Å; T75-A79 PolarHBondContact O-N 3.43Å; T75-A79 VanDerWaalsContact O-N 3.12Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 3.49Å; A79-K83 WeakPolarHBondContact O-CG 3.43Å
80	R	94.4	Very high	93.7	Very high	76 Å²	76	26.5 Å²	26.5	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-88.6	-41.7	174.3	-69.2	-141.4	-171.1	138.9	1.4	113.8	A76 L77 L78 V82 K83 S261 I264 S265 M268	A76-R80 PolarHBondContact O-N 3.37Å; L77-R80 PolarHBondContact O-N 3.49Å; L78-R80 PolarHBondContact O-N 3.33Å; L78-R80 VanDerWaalsContact O-N 3.07Å; R80-V82 VanDerWaalsContact C-N 3.31Å; R80-V82 PolarHBondContact O-N 3.41Å; R80-K83 WeakPolarHBondContact O-CB 3.33Å; R80-K83 PolarHBondContact O-N 3.01Å; R80-S261 PolarHBondContact NH1-O 3.31Å; R80-S261 VanDerWaalsContact NH2-CB 3.25Å; R80-S261 PolarHBondContact NH2-OG 3.47Å; R80-I264 HydrophobicContact CB-CG2 3.86Å; R80-I264 HydrophobicContact CG-CG2 3.7Å; R80-S265 PolarHBondContact NH1-OG 2.96Å; R80-M268 HydrophobicContact CB-CE 4.47Å; R80-M268 HydrophobicContact CB-CG 4.44Å; R80-M268 HydrophobicContact CB-SD 4.31Å
81	I	94.4	Very high	93.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-40.7	178.4	-65.8	168	0	0	0	110.5	I66 L77 L78 K83 T84 T86 L88 M268 L271	I66-I81 HydrophobicContact CD1-CD1 3.7Å; I66-I81 HydrophobicContact CG1-CD1 4.41Å; L77-I81 HydrophobicContact CD1-CD1 3.91Å; L77-I81 HydrophobicContact CD1-CG1 4.21Å; L77-I81 HydrophobicContact CD2-CD1 4.22Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 HydrophobicContact CG-CG1 4.34Å; L77-I81 PolarHBondContact O-N 2.89Å; L78-I81 PolarHBondContact O-N 2.93Å; I81-K83 PolarHBondContact O-N 2.93Å; I81-T84 PolarHBondContact O-N 3.24Å; I81-T84 PolarHBondContact O-OG1 3.43Å; I81-T86 HydrophobicContact CG2-CG2 3.63Å; I81-L88 HydrophobicContact CB-CD1 4.26Å; I81-L88 HydrophobicContact CB-CD2 4.19Å; I81-L88 HydrophobicContact CG2-CD1 4.29Å; I81-L88 HydrophobicContact CG2-CD2 3.5Å; I81-L88 HydrophobicContact CG2-CG 4.14Å; I81-M268 HydrophobicContact CB-SD 4.24Å; I81-M268 HydrophobicContact CD1-SD 4.36Å; I81-M268 HydrophobicContact CG1-CE 4.26Å; I81-M268 HydrophobicContact CG1-SD 3.27Å; I81-M268 WeakPolarHBondContact CG1-SD 3.42Å; I81-L271 HydrophobicContact CD1-CD1 4.01Å
82	V	93.9	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63.2	-32	179.1	177.5	0	0	0	0	112.5	L78 R80 T84 G85 L88 S105 V111	L78-V82 HydrophobicContact CD2-CG2 4Å; L78-V82 HydrophobicContact CG-CG2 4.37Å; L78-V82 VanDerWaalsContact O-CG2 3.26Å; L78-V82 WeakPolarHBondContact O-CG2 3.44Å; L78-V82 PolarHBondContact O-N 3.46Å; R80-V82 VanDerWaalsContact C-N 3.31Å; R80-V82 PolarHBondContact O-N 3.41Å; V82-T84 PolarHBondContact O-N 3.18Å; V82-G85 PolarHBondContact O-N 3.24Å; V82-L88 HydrophobicContact CG2-CD1 3.3Å; V82-L88 HydrophobicContact CG2-CG 4.01Å; V82-S105 WeakPolarHBondContact CG1-O 3.24Å; V82-V111 HydrophobicContact CG2-CG2 3.82Å
83	K	92.3	Very high	94.1	Very high	115 Å²	115	27.6 Å²	27.6	50%	0.5	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18.7	176.1	-73.8	177.7	-179.2	-173.6	0	113.3	G55 R56 A79 R80 I81 G85	G55-K83 CarbonylContact C-O 3.6Å; G55-K83 WeakPolarHBondContact CA-O 3.37Å; R56-K83 HydrophobicContact CG-CG 4.2Å; A79-K83 WeakPolarHBondContact O-CG 3.43Å; R80-K83 WeakPolarHBondContact O-CB 3.33Å; R80-K83 PolarHBondContact O-N 3.01Å; I81-K83 PolarHBondContact O-N 2.93Å; K83-G85 VanDerWaalsContact C-N 3.31Å
84	T	90.9	Very high	93.8	Very high	49 Å²	49	32.4 Å²	32.4	30%	0.301	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-87.4	0.9	175	68.7	0	0	0	0	113.1	I81 V82 T86 M268	I81-T84 PolarHBondContact O-N 3.24Å; I81-T84 PolarHBondContact O-OG1 3.43Å; V82-T84 PolarHBondContact O-N 3.18Å; T84-T86 VanDerWaalsContact C-N 3.31Å; T84-T86 PolarHBondContact OG1-OG1 3.42Å; T84-M268 HydrophobicContact CG2-CE 3.59Å
85	G	90.7	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	16.4	-177.3	0	0	0	0	0	113.8	G55 S58 F59 S60 V82 K83	G55-G85 WeakPolarHBondContact O-CA 3.49Å; G55-G85 PolarHBondContact O-N 3.32Å; S58-G85 CarbonylContact O-C 3.05Å; S58-G85 WeakPolarHBondContact O-CA 3.41Å; F59-G85 WeakPolarHBondContact CA-O 3.37Å; S60-G85 PolarHBondContact N-O 2.98Å; V82-G85 PolarHBondContact O-N 3.24Å; K83-G85 VanDerWaalsContact C-N 3.31Å
86	T	92.6	Very high	93.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.			trans	-80.5	131.3	177.4	-59.1	0	0	0	0	110.2	S60 N62 C64 I81 T84 L88	S60-T86 WeakPolarHBondContact OG-CA 3.43Å; S60-T86 WeakPolarHBondContact OG-CB 3.36Å; S60-T86 PolarHBondContact OG-OG1 3.22Å; N62-T86 HydrophobicContact CB-CG2 3.74Å; N62-T86 WeakPolarHBondContact O-CG2 3.45Å; C64-T86 HydrophobicContact CB-CG2 4.08Å; I81-T86 HydrophobicContact CG2-CG2 3.63Å; T84-T86 VanDerWaalsContact C-N 3.31Å; T84-T86 PolarHBondContact OG1-OG1 3.42Å; T86-L88 HydrophobicContact CG2-CD2 4.47Å
87	Q	93.2	Very high	93.3	Very high	56 Å²	56	44.5 Å²	44.5	26%	0.262	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.9	174.4	-71.8	-176.9	-11.6	0	0	109.9	F59 N62 T63 C64 Q110	F59-Q87 HydrophobicContact CD2-CG 4.37Å; F59-Q87 HydrophobicContact CE2-CG 4.05Å; N62-Q87 PolarHBondContact O-N 2.91Å; T63-Q87 CarbonylContact C-O 3.58Å; T63-Q87 WeakPolarHBondContact CA-O 3.45Å; T63-Q87 HydrophobicContact CG2-CB 4.45Å; C64-Q87 PolarHBondContact N-O 3.3Å; Q87-Q110 CarbonylContact C-O 3.49Å; Q87-Q110 WeakPolarHBondContact CA-O 3.3Å
88	L	95.2	Very high	93.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.7	-177.6	-70.3	-169.9	0	0	0	112.2	C64 I66 L78 I81 V82 T86 Q110 V111 Y112	C64-L88 HydrophobicContact CB-CD2 3.59Å; C64-L88 CarbonylContact O-C 3.53Å; C64-L88 VanDerWaalsContact O-CA 3.32Å; C64-L88 WeakPolarHBondContact O-CA 3.3Å; C64-L88 WeakPolarHBondContact O-CD2 3.48Å; I66-L88 HydrophobicContact CD1-CD1 3.98Å; I66-L88 HydrophobicContact CD1-CD2 3.98Å; I66-L88 HydrophobicContact CG1-CD2 4.36Å; L78-L88 HydrophobicContact CB-CD1 4.26Å; L78-L88 HydrophobicContact CD1-CD1 4.29Å; L78-L88 HydrophobicContact CD2-CD1 4.43Å; L78-L88 HydrophobicContact CG-CD1 3.6Å; I81-L88 HydrophobicContact CB-CD1 4.26Å; I81-L88 HydrophobicContact CB-CD2 4.19Å; I81-L88 HydrophobicContact CG2-CD1 4.29Å; I81-L88 HydrophobicContact CG2-CD2 3.5Å; I81-L88 HydrophobicContact CG2-CG 4.14Å; V82-L88 HydrophobicContact CG2-CD1 3.3Å; V82-L88 HydrophobicContact CG2-CG 4.01Å; T86-L88 HydrophobicContact CG2-CD2 4.47Å; L88-Q110 PolarHBondContact N-O 2.87Å; L88-V111 HydrophobicContact CB-CG1 4.37Å; L88-V111 HydrophobicContact CB-CG2 4.43Å; L88-V111 CarbonylContact O-C 3.53Å; L88-V111 WeakPolarHBondContact O-CA 3.39Å; L88-Y112 PolarHBondContact O-N 3.49Å
89	I	95.3	Very high	92.7	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.082	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	166.5	-58.2	175	0	0	0	107.2	T63 C64 T65 I66 P91 Y112 I114	T63-I89 HydrophobicContact CG2-CD1 3.93Å; T63-I89 HydrophobicContact CG2-CG1 4.21Å; C64-I89 PolarHBondContact O-N 2.99Å; T65-I89 WeakPolarHBondContact CA-O 3.25Å; T65-I89 WeakPolarHBondContact OG1-CB 3.33Å; I66-I89 PolarHBondContact N-O 3.3Å; I89-P91 WeakPolarHBondContact O-CD 3.33Å; I89-Y112 WeakPolarHBondContact CA-O 3.13Å; I89-I114 HydrophobicContact CG2-CD1 3.66Å; I89-I114 HydrophobicContact CG2-CG1 4.23Å
90	V	95.6	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	90	-176.2	179.5	0	0	0	0	108.7	A69 L78 Y92 L102 V111 Y112 Y113 I114	A69-V90 HydrophobicContact CB-CG1 3.62Å; A69-V90 HydrophobicContact CB-CG2 4.44Å; L78-V90 HydrophobicContact CD1-CG2 3.48Å; L78-V90 VanDerWaalsContact CD1-CG2 3.48Å; V90-Y92 PolarHBondContact O-N 2.86Å; V90-L102 HydrophobicContact CG1-CD1 4.31Å; V90-V111 HydrophobicContact CG2-CG1 3.64Å; V90-Y112 PolarHBondContact N-O 2.94Å; V90-Y113 HydrophobicContact CB-CD1 3.77Å; V90-Y113 HydrophobicContact CB-CE1 3.88Å; V90-Y113 HydrophobicContact CG1-CD1 3.78Å; V90-Y113 HydrophobicContact CG1-CE1 3.8Å; V90-Y113 HydrophobicContact CG2-CE1 4.25Å; V90-Y113 WeakPolarHBondContact O-CA 3.46Å; V90-I114 PolarHBondContact O-N 2.67Å; V90-I114 VanDerWaalsContact O-N 3.1Å
91	P	95.8	Very high	92.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	120.9	170.7	28.4	-34.7	0	0	0	109.1	T65 I66 F67 I89 I114 Y116 A127	T65-P91 HydrophobicContact CG2-CG 3.89Å; I66-P91 WeakPolarHBondContact O-CD 3.45Å; F67-P91 HydrophobicContact CD1-CB 4.02Å; F67-P91 HydrophobicContact CD1-CG 3.37Å; F67-P91 HydrophobicContact CE1-CB 3.97Å; F67-P91 HydrophobicContact CE1-CG 3.6Å; F67-P91 HydrophobicContact CG-CG 4.04Å; F67-P91 HydrophobicContact CZ-CG 4.43Å; I89-P91 WeakPolarHBondContact O-CD 3.33Å; P91-I114 CarbonylContact C-O 3.58Å; P91-I114 VanDerWaalsContact CA-O 3.26Å; P91-I114 WeakPolarHBondContact CA-O 3.49Å; P91-Y116 VanDerWaalsContact C-CD1 3.42Å; P91-Y116 HydrophobicContact CB-CD1 3.4Å; P91-Y116 HydrophobicContact CB-CD2 4.48Å; P91-Y116 HydrophobicContact CB-CE1 3.64Å; P91-Y116 HydrophobicContact CB-CG 3.85Å; P91-Y116 HydrophobicContact CG-CE1 4.44Å; P91-Y116 VanDerWaalsContact O-CE1 3.27Å; P91-Y116 WeakPolarHBondContact O-CE1 3.31Å; P91-A127 HydrophobicContact CB-CB 4.33Å
92	Y	94.4	Very high	92.3	Very high	38 Å²	38	54.4 Å²	54.4	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.8	178.1	72.8	-86.2	0	0	0	111.3	V90 R94 P96 I114 P115 Y116	V90-Y92 PolarHBondContact O-N 2.86Å; Y92-R94 VanDerWaalsContact CD2-O 3.24Å; Y92-R94 WeakPolarHBondContact CD2-O 3.5Å; Y92-P96 HydrophobicContact CE2-CB 4.3Å; Y92-P96 HydrophobicContact CE2-CG 3.8Å; Y92-I114 WeakPolarHBondContact CD1-O 3.32Å; Y92-I114 PolarHBondContact N-O 3.35Å; Y92-P115 HydrophobicContact CE1-CB 4.4Å; Y92-P115 HydrophobicContact CE2-CB 4.35Å; Y92-P115 WeakPolarHBondContact O-CA 3.28Å; Y92-Y116 VanDerWaalsContact O-CD1 3.3Å; Y92-Y116 WeakPolarHBondContact O-CD1 3.45Å; Y92-Y116 PolarHBondContact O-N 3.35Å
93	R	92.7	Very high	92	Very high	108 Å²	108	61.3 Å²	61.3	41%	0.408	27%	0.269	S	S	.	.			trans	-110.9	-36.6	-180	179.9	-165.2	164.8	114.3	10	112.3	Y116 F147	R93-Y116 HydrophobicContact CB-CE1 4.21Å; R93-F147 VanDerWaalsContact CZ-CE2 3.44Å
94	R	90.1	Very high	91.9	Very high	123 Å²	123	61.9 Å²	61.9	46%	0.464	28%	0.282	S	S	.	.	S	Bend	trans	-73.5	-178.3	-179.3	-63.5	-163.3	-62.7	-99.6	4	110.4	T70 Y92 D98	T70-R94 VanDerWaalsContact CB-NH2 3.29Å; T70-R94 PolarHBondContact O-NH2 2.91Å; T70-R94 PolarHBondContact OG1-NH2 2.99Å; Y92-R94 VanDerWaalsContact CD2-O 3.24Å; Y92-R94 WeakPolarHBondContact CD2-O 3.5Å; R94-D98 HydrophobicContact CB-CB 4.23Å; R94-D98 VanDerWaalsContact CB-OD2 3.26Å; R94-D98 WeakPolarHBondContact CB-OD2 3.42Å; R94-D98 WeakPolarHBondContact CD-OD2 3.47Å; R94-D98 IonicContact NE-OD2 2.71Å; R94-D98 PolarHBondContact NE-OD2 2.94Å
95	D	91	Very high	91.7	Very high	104 Å²	104	60.6 Å²	60.6	56%	0.556	28%	0.275	S	S	*	.			trans	-56.6	141.6	175.3	-167.3	-87.3	0	0	0	110.7	Y97 D98	D95-Y97 PolarHBondContact O-N 3.01Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.22Å; D95-Y97 PolarHBondContact OD1-N 2.84Å; D95-D98 WeakPolarHBondContact O-CB 3.27Å; D95-D98 PolarHBondContact O-N 3.4Å
96	P	89.4	Confident	91.5	Very high	56 Å²	56	61.4 Å²	61.4	36%	0.364	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-50.9	-30.3	174.9	-26.6	33.3	0	0	0	113.5	Y92 D98 S99 R100	Y92-P96 HydrophobicContact CE2-CB 4.3Å; Y92-P96 HydrophobicContact CE2-CG 3.8Å; P96-D98 VanDerWaalsContact C-N 3.27Å; P96-D98 PolarHBondContact O-N 2.88Å; P96-S99 PolarHBondContact O-N 2.75Å; P96-S99 PolarHBondContact O-OG 3.2Å; P96-R100 PolarHBondContact O-N 3.5Å
97	Y	92.9	Very high	91.4	Very high	161 Å²	161	65.3 Å²	65.3	63%	0.631	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.9	-37.6	176.7	-170.5	-91.4	0	0	0	113	D95 S99 R100	D95-Y97 PolarHBondContact O-N 3.01Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.22Å; D95-Y97 PolarHBondContact OD1-N 2.84Å; Y97-S99 PolarHBondContact O-N 3.43Å; Y97-R100 WeakPolarHBondContact O-CB 3.08Å; Y97-R100 PolarHBondContact O-N 3Å; Y97-R100 VanDerWaalsContact O-N 3.13Å
98	D	90.1	Very high	91.3	Very high	66 Å²	66	71.1 Å²	71.1	35%	0.353	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17	178.4	-75.2	-6.5	0	0	0	113.2	R94 D95 P96 H101	R94-D98 HydrophobicContact CB-CB 4.23Å; R94-D98 VanDerWaalsContact CB-OD2 3.26Å; R94-D98 WeakPolarHBondContact CB-OD2 3.42Å; R94-D98 WeakPolarHBondContact CD-OD2 3.47Å; R94-D98 IonicContact NE-OD2 2.71Å; R94-D98 PolarHBondContact NE-OD2 2.94Å; D95-D98 WeakPolarHBondContact O-CB 3.27Å; D95-D98 PolarHBondContact O-N 3.4Å; P96-D98 VanDerWaalsContact C-N 3.27Å; P96-D98 PolarHBondContact O-N 2.88Å; D98-H101 PolarHBondContact O-CE1 2.75Å; D98-H101 PolarHBondContact O-ND1 3.34Å
99	S	88.5	Confident	91	Very high	1 Å²	1	73 Å²	73	1%	0.007	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-98.2	-3.1	177.9	72.1	0	0	0	0	112.9	P96 Y97 H101 L102	P96-S99 PolarHBondContact O-N 2.75Å; P96-S99 PolarHBondContact O-OG 3.2Å; Y97-S99 PolarHBondContact O-N 3.43Å; S99-H101 VanDerWaalsContact C-N 3.3Å; S99-H101 PolarHBondContact O-N 3.35Å; S99-L102 VanDerWaalsContact O-CB 3.27Å; S99-L102 WeakPolarHBondContact O-CB 3.28Å; S99-L102 PolarHBondContact O-N 2.97Å
100	R	91.2	Very high	90.8	Very high	151 Å²	151	73 Å²	73	57%	0.57	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60	-36	-173.3	-177	178.6	173.7	171.8	-0.8	113.1	P96 Y97 L102 W103	P96-R100 PolarHBondContact O-N 3.5Å; Y97-R100 WeakPolarHBondContact O-CB 3.08Å; Y97-R100 PolarHBondContact O-N 3Å; Y97-R100 VanDerWaalsContact O-N 3.13Å; R100-L102 PolarHBondContact O-N 3.07Å; R100-W103 WeakPolarHBondContact O-CB 3.38Å; R100-W103 PolarHBondContact O-N 3.25Å
101	H	90.5	Very high	90.7	Very high	96 Å²	96	74.1 Å²	74.1	44%	0.444	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.9	178.2	66.5	-71.6	0	0	0	112.8	T75 D98 S99 W103	T75-H101 PolarHBondContact OG1-NE2 2.8Å; T75-H101 VanDerWaalsContact OG1-NE2 3.13Å; D98-H101 PolarHBondContact O-CE1 2.75Å; D98-H101 PolarHBondContact O-ND1 3.34Å; S99-H101 VanDerWaalsContact C-N 3.3Å; S99-H101 PolarHBondContact O-N 3.35Å; H101-W103 VanDerWaalsContact C-N 3.33Å
102	L	91.8	Very high	90.5	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-75.5	-23.7	178.3	-57	175.1	0	0	0	112.2	A69 T70 T75 L78 V90 S99 R100 V104 S105 Y113	A69-L102 HydrophobicContact CB-CD1 4.46Å; T70-L102 HydrophobicContact CG2-CD1 4.47Å; T75-L102 HydrophobicContact CG2-CD2 3.73Å; L78-L102 HydrophobicContact CD1-CB 4.27Å; L78-L102 HydrophobicContact CD1-CD1 4.1Å; L78-L102 HydrophobicContact CD1-CD2 4.17Å; L78-L102 HydrophobicContact CD1-CG 4.41Å; L78-L102 HydrophobicContact CD2-CD2 4.41Å; V90-L102 HydrophobicContact CG1-CD1 4.31Å; S99-L102 VanDerWaalsContact O-CB 3.27Å; S99-L102 WeakPolarHBondContact O-CB 3.28Å; S99-L102 PolarHBondContact O-N 2.97Å; R100-L102 PolarHBondContact O-N 3.07Å; L102-V104 PolarHBondContact O-N 3Å; L102-S105 VanDerWaalsContact O-CB 3.3Å; L102-S105 WeakPolarHBondContact O-CB 3.34Å; L102-S105 PolarHBondContact O-N 2.78Å; L102-S105 PolarHBondContact O-OG 3.34Å; L102-Y113 HydrophobicContact CB-CE1 4.1Å; L102-Y113 VanDerWaalsContact CB-OH 3.25Å; L102-Y113 WeakPolarHBondContact CB-OH 3.47Å; L102-Y113 HydrophobicContact CD1-CE1 4.34Å; L102-Y113 PolarHBondContact O-OH 2.71Å
103	W	87.8	Confident	90.5	Very high	146 Å²	146	80.4 Å²	80.4	55%	0.553	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-63	-32.5	-172.8	-66.6	11.8	0	0	0	112.3	R100 H101 S105 Y113	R100-W103 WeakPolarHBondContact O-CB 3.38Å; R100-W103 PolarHBondContact O-N 3.25Å; H101-W103 VanDerWaalsContact C-N 3.33Å; W103-S105 PolarHBondContact O-N 3.47Å; W103-Y113 AromaticContact CD1-CE1 3.92Å; W103-Y113 AromaticContact CD1-CE2 3.27Å; W103-Y113 AromaticContact CD1-CZ 3.21Å; W103-Y113 VanDerWaalsContact CD1-OH 3.29Å; W103-Y113 HydrophobicContact CG-CE2 4.13Å; W103-Y113 PolarHBondContact N-OH 3.23Å; W103-Y113 AromaticContact NE1-CD2 3.73Å; W103-Y113 AromaticContact NE1-CE2 3.45Å; W103-Y113 AromaticContact NE1-CZ 3.62Å
104	V	89.3	Confident	90.6	Very high	127 Å²	127	77.3 Å²	77.3	77%	0.77	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-77.5	-12.1	-178.9	-172	0	0	0	0	112.1	L102 G106	L102-V104 PolarHBondContact O-N 3Å; V104-G106 VanDerWaalsContact C-N 3.29Å; V104-G106 PolarHBondContact O-N 2.7Å
105	S	88.5	Confident	90.8	Very high	21 Å²	21	75.1 Å²	75.1	15%	0.147	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-73.2	-23	-175	-64	0	0	0	0	113.3	V82 L102 W103	V82-S105 WeakPolarHBondContact CG1-O 3.24Å; L102-S105 VanDerWaalsContact O-CB 3.3Å; L102-S105 WeakPolarHBondContact O-CB 3.34Å; L102-S105 PolarHBondContact O-N 2.78Å; L102-S105 PolarHBondContact O-OG 3.34Å; W103-S105 PolarHBondContact O-N 3.47Å
106	G	85.6	Confident	90.9	Very high	18 Å²	18	71.3 Å²	71.3	19%	0.186	36%	0.355	C	S	.	.	S	Bend	trans	-129.9	163.6	-174.1	0	0	0	0	0	116.3	V104	V104-G106 VanDerWaalsContact C-N 3.29Å; V104-G106 PolarHBondContact O-N 2.7Å
107	E	91.4	Very high	91.1	Very high	82 Å²	82	73 Å²	73	38%	0.383	36%	0.357	S	S	.	.			trans	-73.9	162.4	174.1	-63.3	-62.3	156.8	0	0	110.7	R56 G109 Q110	R56-E107 HydrophobicContact CB-CG 3.99Å; E107-G109 PolarHBondContact O-N 3Å; E107-Q110 HydrophobicContact CB-CG 4.07Å; E107-Q110 WeakPolarHBondContact O-CB 3.3Å; E107-Q110 PolarHBondContact O-N 3.01Å; E107-Q110 VanDerWaalsContact O-N 3.07Å
108	L	91.1	Very high	91.1	Very high	177 Å²	177	65.8 Å²	65.8	93%	0.927	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	127.8	178.8	-65.5	167.9	0	0	0	110.6	Q110	L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.49Å
109	G	88.3	Confident	91.1	Very high	41 Å²	41	67.5 Å²	67.5	42%	0.423	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	4.4	179.2	0	0	0	0	0	115.6	E107 Y112	E107-G109 PolarHBondContact O-N 3Å; G109-Y112 WeakPolarHBondContact O-CE2 3.26Å; G109-Y112 PolarHBondContact O-OH 2.71Å
110	Q	90.1	Very high	91.4	Very high	16 Å²	16	70.5 Å²	70.5	8%	0.075	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-34.4	175.2	-65.9	-166.9	-39.3	0	0	113.7	R56 S58 Q87 L88 E107 L108	R56-Q110 PolarHBondContact O-NE2 3.09Å; R56-Q110 PolarHBondContact O-OE1 2.97Å; R56-Q110 VanDerWaalsContact O-OE1 3.08Å; S58-Q110 PolarHBondContact O-NE2 3.47Å; Q87-Q110 CarbonylContact C-O 3.49Å; Q87-Q110 WeakPolarHBondContact CA-O 3.3Å; L88-Q110 PolarHBondContact N-O 2.87Å; E107-Q110 HydrophobicContact CB-CG 4.07Å; E107-Q110 WeakPolarHBondContact O-CB 3.3Å; E107-Q110 PolarHBondContact O-N 3.01Å; E107-Q110 VanDerWaalsContact O-N 3.07Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.49Å
111	V	93.3	Very high	91.6	Very high	22 Å²	22	65.8 Å²	65.8	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.6	-175.9	-169.9	0	0	0	0	109.7	V82 L88 V90 Y113	V82-V111 HydrophobicContact CG2-CG2 3.82Å; L88-V111 HydrophobicContact CB-CG1 4.37Å; L88-V111 HydrophobicContact CB-CG2 4.43Å; L88-V111 CarbonylContact O-C 3.53Å; L88-V111 WeakPolarHBondContact O-CA 3.39Å; V90-V111 HydrophobicContact CG2-CG1 3.64Å; V111-Y113 HydrophobicContact CB-CE2 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 4.17Å; V111-Y113 HydrophobicContact CG1-CE2 3.77Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.37Å
112	Y	93.5	Very high	91.9	Very high	117 Å²	117	65.9 Å²	65.9	46%	0.459	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.8	179.3	-65.3	-83.5	0	0	0	110.5	L88 I89 V90 G109	L88-Y112 PolarHBondContact O-N 3.49Å; I89-Y112 WeakPolarHBondContact CA-O 3.13Å; V90-Y112 PolarHBondContact N-O 2.94Å; G109-Y112 WeakPolarHBondContact O-CE2 3.26Å; G109-Y112 PolarHBondContact O-OH 2.71Å
113	Y	93.8	Very high	92	Very high	56 Å²	56	66 Å²	66	22%	0.22	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.8	179	-61.9	-85.5	0	0	0	110.4	V90 L102 W103 V111	V90-Y113 HydrophobicContact CB-CD1 3.77Å; V90-Y113 HydrophobicContact CB-CE1 3.88Å; V90-Y113 HydrophobicContact CG1-CD1 3.78Å; V90-Y113 HydrophobicContact CG1-CE1 3.8Å; V90-Y113 HydrophobicContact CG2-CE1 4.25Å; V90-Y113 WeakPolarHBondContact O-CA 3.46Å; L102-Y113 HydrophobicContact CB-CE1 4.1Å; L102-Y113 VanDerWaalsContact CB-OH 3.25Å; L102-Y113 WeakPolarHBondContact CB-OH 3.47Å; L102-Y113 HydrophobicContact CD1-CE1 4.34Å; L102-Y113 PolarHBondContact O-OH 2.71Å; W103-Y113 AromaticContact CD1-CE1 3.92Å; W103-Y113 AromaticContact CD1-CE2 3.27Å; W103-Y113 AromaticContact CD1-CZ 3.21Å; W103-Y113 VanDerWaalsContact CD1-OH 3.29Å; W103-Y113 HydrophobicContact CG-CE2 4.13Å; W103-Y113 PolarHBondContact N-OH 3.23Å; W103-Y113 AromaticContact NE1-CD2 3.73Å; W103-Y113 AromaticContact NE1-CE2 3.45Å; W103-Y113 AromaticContact NE1-CZ 3.62Å; V111-Y113 HydrophobicContact CB-CE2 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 4.17Å; V111-Y113 HydrophobicContact CG1-CE2 3.77Å; V111-Y113 WeakPolarHBondContact CG1-OH 3.37Å
114	I	93.5	Very high	92.4	Very high	43 Å²	43	59.1 Å²	59.1	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125	-178.8	-56.8	-179.2	0	0	0	109.4	I89 V90 P91 Y92	I89-I114 HydrophobicContact CG2-CD1 3.66Å; I89-I114 HydrophobicContact CG2-CG1 4.23Å; V90-I114 PolarHBondContact O-N 2.67Å; V90-I114 VanDerWaalsContact O-N 3.1Å; P91-I114 CarbonylContact C-O 3.58Å; P91-I114 VanDerWaalsContact CA-O 3.26Å; P91-I114 WeakPolarHBondContact CA-O 3.49Å; Y92-I114 WeakPolarHBondContact CD1-O 3.32Å; Y92-I114 PolarHBondContact N-O 3.35Å
115	P	94.3	Very high	92.7	Very high	76 Å²	76	56.4 Å²	56.4	49%	0.494	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.6	172.9	29	-33.3	0	0	0	109.9	Y92	Y92-P115 HydrophobicContact CE1-CB 4.4Å; Y92-P115 HydrophobicContact CE2-CB 4.35Å; Y92-P115 WeakPolarHBondContact O-CA 3.28Å
116	Y	94.4	Very high	92.9	Very high	25 Å²	25	62.6 Å²	62.6	10%	0.098	31%	0.31	C	S	.	.			trans	-143.5	157.4	177.3	84.1	-67.6	0	0	0	112.6	F67 P91 Y92 R93 L118 L124	F67-Y116 AromaticContact CD1-CE2 3.94Å; F67-Y116 HydrophobicContact CD1-CE2 3.94Å; F67-Y116 HydrophobicContact CE1-CD2 4.34Å; F67-Y116 HydrophobicContact CE1-CE2 4.14Å; P91-Y116 VanDerWaalsContact C-CD1 3.42Å; P91-Y116 HydrophobicContact CB-CD1 3.4Å; P91-Y116 HydrophobicContact CB-CD2 4.48Å; P91-Y116 HydrophobicContact CB-CE1 3.64Å; P91-Y116 HydrophobicContact CB-CG 3.85Å; P91-Y116 HydrophobicContact CG-CE1 4.44Å; P91-Y116 VanDerWaalsContact O-CE1 3.27Å; P91-Y116 WeakPolarHBondContact O-CE1 3.31Å; Y92-Y116 VanDerWaalsContact O-CD1 3.3Å; Y92-Y116 WeakPolarHBondContact O-CD1 3.45Å; Y92-Y116 PolarHBondContact O-N 3.35Å; R93-Y116 HydrophobicContact CB-CE1 4.21Å; Y116-L118 HydrophobicContact CE2-CD2 3.57Å; Y116-L118 HydrophobicContact CE2-CG 4.01Å; Y116-L124 HydrophobicContact CD2-CD2 3.71Å; Y116-L124 HydrophobicContact CE2-CD2 4.04Å
117	F	93.7	Very high	93.4	Very high	90 Å²	90	61.7 Å²	61.7	40%	0.395	30%	0.301	S	S	.	.			trans	-122.2	134.1	172.1	-173.7	-116.8	0	0	0	109.9	K119 D120 F147	F117-K119 VanDerWaalsContact C-N 3.29Å; F117-K119 HydrophobicContact CD1-CB 3.97Å; F117-K119 HydrophobicContact CE1-CB 3.58Å; F117-K119 HydrophobicContact CE1-CD 4.21Å; F117-K119 HydrophobicContact CE1-CG 3.9Å; F117-K119 HydrophobicContact CZ-CB 4.43Å; F117-K119 HydrophobicContact CZ-CD 4.36Å; F117-K119 HydrophobicContact CZ-CG 4.26Å; F117-K119 PolarHBondContact O-N 3.11Å; F117-D120 HydrophobicContact CB-CB 4.13Å; F117-D120 HydrophobicContact CD1-CB 4.23Å; F117-D120 PolarHBondContact O-N 2.96Å; F117-D120 VanDerWaalsContact O-N 3.11Å; F117-F147 HydrophobicContact CE2-CE2 4.43Å; F117-F147 AromaticContact CE2-CZ 3.79Å; F117-F147 HydrophobicContact CE2-CZ 3.79Å; F117-F147 AromaticContact CZ-CZ 3.89Å; F117-F147 HydrophobicContact CZ-CZ 3.89Å
118	L	91.6	Very high	93.5	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.052	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.2	-171.9	-73.5	166.4	0	0	0	114.4	Y116 I138 L152 A156	Y116-L118 HydrophobicContact CE2-CD2 3.57Å; Y116-L118 HydrophobicContact CE2-CG 4.01Å; L118-I138 HydrophobicContact CD1-CG2 4.45Å; L118-I138 HydrophobicContact CD2-CD1 3.49Å; L118-I138 VanDerWaalsContact CD2-CD1 3.49Å; L118-I138 HydrophobicContact CD2-CG1 4.49Å; L118-L152 HydrophobicContact CD1-CD2 3.85Å; L118-A156 HydrophobicContact CD2-CB 4.14Å
119	K	91.6	Very high	93.5	Very high	103 Å²	103	53.5 Å²	53.5	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.3	179.3	-51.6	-174.2	173.5	-171.5	0	112.8	F117 F147	F117-K119 VanDerWaalsContact C-N 3.29Å; F117-K119 HydrophobicContact CD1-CB 3.97Å; F117-K119 HydrophobicContact CE1-CB 3.58Å; F117-K119 HydrophobicContact CE1-CD 4.21Å; F117-K119 HydrophobicContact CE1-CG 3.9Å; F117-K119 HydrophobicContact CZ-CB 4.43Å; F117-K119 HydrophobicContact CZ-CD 4.36Å; F117-K119 HydrophobicContact CZ-CG 4.26Å; F117-K119 PolarHBondContact O-N 3.11Å; K119-F147 HydrophobicContact CD-CE1 4.46Å; K119-F147 HydrophobicContact CG-CE1 4.28Å
120	D	94.7	Very high	93.5	Very high	64 Å²	64	57.4 Å²	57.4	34%	0.342	26%	0.26	S	S	.	.			trans	-94.9	102.7	177.9	179	10.6	0	0	0	109.5	F117 D122 A123 L124	F117-D120 HydrophobicContact CB-CB 4.13Å; F117-D120 HydrophobicContact CD1-CB 4.23Å; F117-D120 PolarHBondContact O-N 2.96Å; F117-D120 VanDerWaalsContact O-N 3.11Å; D120-D122 PolarHBondContact O-N 3.47Å; D120-D122 PolarHBondContact OD1-N 2.92Å; D120-D122 VanDerWaalsContact OD1-N 3.09Å; D120-A123 HydrophobicContact CB-CB 4.05Å; D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 PolarHBondContact OD1-N 2.97Å; D120-A123 VanDerWaalsContact OD2-CB 3.31Å; D120-A123 WeakPolarHBondContact OD2-CB 3.39Å; D120-L124 PolarHBondContact O-N 3.35Å
121	D	95.6	Very high	93.7	Very high	51 Å²	51	56.8 Å²	56.8	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-30.1	-178	-64.7	-20.3	0	0	0	111.6	L124 R125 R159 I163	D121-L124 PolarHBondContact O-N 3.15Å; D121-R125 WeakPolarHBondContact O-CB 3.33Å; D121-R125 VanDerWaalsContact O-CG 3.28Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.44Å; D121-R159 VanDerWaalsContact CG-NH1 3.32Å; D121-R159 IonicContact OD1-CZ 3.37Å; D121-R159 IonicContact OD1-NH1 2.7Å; D121-R159 PolarHBondContact OD1-NH1 3.31Å; D121-R159 IonicContact OD2-NH1 3.19Å; D121-R159 PolarHBondContact OD2-NH1 2.97Å; D121-I163 HydrophobicContact CB-CD1 4.13Å
122	D	95.8	Very high	93.6	Very high	99 Å²	99	56.5 Å²	56.5	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-74.5	-34.3	-179.6	-69.7	-24.8	0	0	0	111.9	D120 R125 R126	D120-D122 PolarHBondContact O-N 3.47Å; D120-D122 PolarHBondContact OD1-N 2.92Å; D120-D122 VanDerWaalsContact OD1-N 3.09Å; D122-R125 PolarHBondContact O-N 2.97Å; D122-R125 IonicContact OD1-CZ 2.76Å; D122-R125 IonicContact OD1-NH1 2.81Å; D122-R125 PolarHBondContact OD1-NH1 3.01Å; D122-R126 WeakPolarHBondContact O-CB 3.48Å; D122-R126 VanDerWaalsContact O-CG 3.32Å; D122-R126 WeakPolarHBondContact O-CG 3.32Å; D122-R126 PolarHBondContact O-N 3.37Å
123	A	95	Very high	93.6	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-42.8	169.5	0	0	0	0	0	112	D120 R126 A127	D120-A123 HydrophobicContact CB-CB 4.05Å; D120-A123 PolarHBondContact O-N 2.87Å; D120-A123 PolarHBondContact OD1-N 2.97Å; D120-A123 VanDerWaalsContact OD2-CB 3.31Å; D120-A123 WeakPolarHBondContact OD2-CB 3.39Å; A123-R126 PolarHBondContact O-N 3.43Å; A123-A127 PolarHBondContact O-N 3.22Å; A123-A127 VanDerWaalsContact O-N 3.09Å
124	L	95.8	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-44.3	175.6	-70.5	176.1	0	0	0	111.7	F67 Y116 D120 D121 R126 A127 V128 R159 I160 I163	F67-L124 HydrophobicContact CD1-CD2 4.41Å; F67-L124 HydrophobicContact CE1-CD2 3.53Å; F67-L124 HydrophobicContact CZ-CD2 3.9Å; Y116-L124 HydrophobicContact CD2-CD2 3.71Å; Y116-L124 HydrophobicContact CE2-CD2 4.04Å; D120-L124 PolarHBondContact O-N 3.35Å; D121-L124 PolarHBondContact O-N 3.15Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 2.98Å; L124-A127 PolarHBondContact O-N 3.5Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.19Å; L124-V128 VanDerWaalsContact O-N 3.08Å; L124-R159 HydrophobicContact CD1-CB 4.21Å; L124-I160 HydrophobicContact CD1-CG1 4.41Å; L124-I160 HydrophobicContact CD2-CG1 4.28Å; L124-I163 HydrophobicContact CB-CD1 3.46Å; L124-I163 VanDerWaalsContact CB-CD1 3.46Å; L124-I163 HydrophobicContact CD1-CD1 3.81Å; L124-I163 HydrophobicContact CG-CD1 4.29Å
125	R	95	Very high	93.9	Very high	71 Å²	71	46.5 Å²	46.5	27%	0.268	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-42.7	174.5	-76.9	-177.5	-170.2	105.5	8.7	112.1	D121 D122 A127 V128 K129 I163 E166 M167	D121-R125 WeakPolarHBondContact O-CB 3.33Å; D121-R125 VanDerWaalsContact O-CG 3.28Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.44Å; D122-R125 PolarHBondContact O-N 2.97Å; D122-R125 IonicContact OD1-CZ 2.76Å; D122-R125 IonicContact OD1-NH1 2.81Å; D122-R125 PolarHBondContact OD1-NH1 3.01Å; R125-A127 VanDerWaalsContact C-N 3.34Å; R125-A127 PolarHBondContact O-N 3.09Å; R125-V128 PolarHBondContact O-N 3.4Å; R125-K129 WeakPolarHBondContact O-CB 3.33Å; R125-K129 PolarHBondContact O-N 3.34Å; R125-I163 HydrophobicContact CB-CG2 4.46Å; R125-I163 HydrophobicContact CG-CD1 4.36Å; R125-I163 HydrophobicContact CG-CG1 4.33Å; R125-I163 HydrophobicContact CG-CG2 3.8Å; R125-E166 IonicContact CZ-OE2 3.15Å; R125-E166 IonicContact NE-OE2 2.57Å; R125-E166 PolarHBondContact NE-OE2 3.08Å; R125-E166 IonicContact NH2-OE2 3.15Å; R125-E166 PolarHBondContact NH2-OE2 3.45Å; R125-M167 HydrophobicContact CB-CE 3.45Å; R125-M167 VanDerWaalsContact CB-CE 3.45Å; R125-M167 HydrophobicContact CG-CE 3.56Å
126	R	93.9	Very high	94.1	Very high	150 Å²	150	43.1 Å²	43.1	57%	0.566	19%	0.191	S	C	*	.	H	α-helix	trans	-62.6	-40	176.7	-76.9	-174.4	-63.9	147.7	-1.6	112.4	D122 A123 L124	D122-R126 WeakPolarHBondContact O-CB 3.48Å; D122-R126 VanDerWaalsContact O-CG 3.32Å; D122-R126 WeakPolarHBondContact O-CG 3.32Å; D122-R126 PolarHBondContact O-N 3.37Å; A123-R126 PolarHBondContact O-N 3.43Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 2.98Å
127	A	94.6	Very high	94.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-41.4	178.2	0	0	0	0	0	112.3	T65 F67 P91 A123 L124 R125	T65-A127 PolarHBondContact OG1-O 3.32Å; F67-A127 HydrophobicContact CZ-CB 4.47Å; P91-A127 HydrophobicContact CB-CB 4.33Å; A123-A127 PolarHBondContact O-N 3.22Å; A123-A127 VanDerWaalsContact O-N 3.09Å; L124-A127 PolarHBondContact O-N 3.5Å; R125-A127 VanDerWaalsContact C-N 3.34Å; R125-A127 PolarHBondContact O-N 3.09Å
128	V	94.4	Very high	94.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-88.6	-13.4	-173	-177.9	0	0	0	0	113.6	F67 L124 R125 Y130 S131 V134 I163 M167 V169	F67-V128 HydrophobicContact CE2-CG2 3.9Å; F67-V128 HydrophobicContact CZ-CG2 3.72Å; L124-V128 WeakPolarHBondContact O-CG2 3.46Å; L124-V128 PolarHBondContact O-N 3.19Å; L124-V128 VanDerWaalsContact O-N 3.08Å; R125-V128 PolarHBondContact O-N 3.4Å; V128-Y130 PolarHBondContact O-N 2.89Å; V128-S131 PolarHBondContact O-N 3.15Å; V128-V134 HydrophobicContact CG1-CG2 3.97Å; V128-I163 HydrophobicContact CB-CG2 4.48Å; V128-M167 HydrophobicContact CB-CG 4.5Å; V128-M167 HydrophobicContact CG1-CB 4.03Å; V128-M167 HydrophobicContact CG1-CG 4.26Å; V128-V169 HydrophobicContact CG1-CG2 3.45Å; V128-V169 VanDerWaalsContact CG1-CG2 3.45Å
129	K	90.6	Very high	94.4	Very high	86 Å²	86	41.3 Å²	41.3	37%	0.374	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-36.5	-169.3	-173	179.7	177.8	-165.6	0	116.2	R125	R125-K129 WeakPolarHBondContact O-CB 3.33Å; R125-K129 PolarHBondContact O-N 3.34Å
130	Y	89.1	Confident	94.4	Very high	122 Å²	122	37.2 Å²	37.2	48%	0.478	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	10.3	-176.4	-59.5	-69	0	0	0	113.3	T63 V128	T63-Y130 WeakPolarHBondContact CB-O 3.3Å; V128-Y130 PolarHBondContact O-N 2.89Å
131	S	92.6	Very high	94.1	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	17%	0.172	C	C	.	.			trans	-88.7	132.9	-176.3	-57.8	0	0	0	0	111.8	T63 T65 V128	T63-S131 CarbonylContact O-C 3.39Å; T63-S131 VanDerWaalsContact O-CA 3.25Å; T63-S131 WeakPolarHBondContact O-CA 3.21Å; T63-S131 WeakPolarHBondContact O-CB 3.46Å; T65-S131 PolarHBondContact OG1-OG 3.45Å; V128-S131 PolarHBondContact O-N 3.15Å
132	N	91.9	Very high	93.8	Very high	16 Å²	16	35.7 Å²	35.7	9%	0.086	17%	0.17	C	C	.	.	S	Bend	trans	-91.5	-29.1	168.5	66	-34.3	0	0	0	112	N62 T63 V169 Q170 H171	N62-N132 PolarHBondContact OD1-ND2 3.44Å; T63-N132 VanDerWaalsContact C-OD1 3.25Å; T63-N132 WeakPolarHBondContact CA-OD1 3.11Å; T63-N132 PolarHBondContact N-OD1 3.5Å; T63-N132 PolarHBondContact O-N 2.83Å; T63-N132 PolarHBondContact O-OD1 3.24Å; N132-V169 WeakPolarHBondContact O-CG1 3.49Å; N132-Q170 PolarHBondContact O-N 2.92Å; N132-H171 PolarHBondContact O-N 3.27Å
133	L	94.5	Very high	93.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.2	177.4	-53.4	176.1	0	0	0	109.9	N62 T63 C64 T65 H171 L271 F272	N62-L133 HydrophobicContact CB-CD1 4.27Å; T63-L133 PolarHBondContact O-N 2.71Å; C64-L133 CarbonylContact C-O 3.58Å; C64-L133 VanDerWaalsContact CA-O 3.29Å; C64-L133 WeakPolarHBondContact CA-O 3.46Å; C64-L133 HydrophobicContact CB-CB 3.89Å; C64-L133 HydrophobicContact CB-CD1 4.44Å; T65-L133 PolarHBondContact N-O 2.99Å; L133-H171 WeakPolarHBondContact CA-O 3.35Å; L133-H171 HydrophobicContact CD2-CB 3.73Å; L133-L271 HydrophobicContact CB-CD2 4.43Å; L133-F272 HydrophobicContact CD1-CD1 4.32Å; L133-F272 HydrophobicContact CD1-CE1 3.93Å
134	V	96.3	Very high	93.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.8	174.1	177.6	0	0	0	0	109.8	T65 F67 V128 I160 V169 H171 L172 V173	T65-V134 WeakPolarHBondContact O-CA 2.92Å; F67-V134 HydrophobicContact CD2-CG1 3.83Å; F67-V134 HydrophobicContact CE2-CG1 3.71Å; V128-V134 HydrophobicContact CG1-CG2 3.97Å; V134-I160 HydrophobicContact CG1-CG2 4.33Å; V134-V169 HydrophobicContact CB-CG1 4.03Å; V134-V169 HydrophobicContact CG2-CB 4.32Å; V134-V169 HydrophobicContact CG2-CG1 3.65Å; V134-V169 HydrophobicContact CG2-CG2 3.66Å; V134-H171 PolarHBondContact N-O 3.2Å; V134-L172 HydrophobicContact CB-CD1 3.72Å; V134-L172 HydrophobicContact CG1-CD1 3.57Å; V134-L172 WeakPolarHBondContact O-CA 3.16Å; V134-V173 PolarHBondContact O-N 2.61Å
135	V	97.5	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.5	173.2	-171.8	0	0	0	0	109.1	T65 I66 F67 L77 L137 V173 F175 L271	T65-V135 PolarHBondContact O-N 3.21Å; I66-V135 HydrophobicContact CG2-CB 4.43Å; F67-V135 PolarHBondContact N-O 2.67Å; L77-V135 HydrophobicContact CD2-CB 4.34Å; L77-V135 HydrophobicContact CD2-CG1 3.79Å; L77-V135 HydrophobicContact CD2-CG2 4.2Å; V135-L137 HydrophobicContact CG1-CD1 4.41Å; V135-L137 HydrophobicContact CG1-CD2 3.79Å; V135-L137 HydrophobicContact CG1-CG 3.83Å; V135-V173 WeakPolarHBondContact CA-O 3.37Å; V135-V173 HydrophobicContact CG1-CB 4.48Å; V135-F175 HydrophobicContact CG1-CD2 4.45Å; V135-F175 HydrophobicContact CG1-CE2 4.22Å; V135-L271 HydrophobicContact CG2-CD1 3.72Å; V135-L271 HydrophobicContact CG2-CD2 3.68Å; V135-L271 HydrophobicContact CG2-CG 4.24Å
136	N	97.5	Very high	92.6	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106.3	173.5	-175.7	12.3	0	0	0	111.2	I138 V173 H174 F175	N136-I138 WeakPolarHBondContact OD1-CB 3.45Å; N136-I138 PolarHBondContact OD1-N 2.85Å; N136-V173 PolarHBondContact N-O 2.95Å; N136-H174 PolarHBondContact ND2-ND1 3.14Å; N136-H174 VanDerWaalsContact ND2-ND1 3.2Å; N136-F175 PolarHBondContact O-N 3.43Å; N136-F175 VanDerWaalsContact O-N 3.11Å
137	L	96.9	Very high	92.5	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.131	22%	0.216	C	C	.	.			trans	-110.6	14.6	173.7	-51.1	175.2	0	0	0	112.5	I66 F67 V73 L77 V135 G139 F175	I66-L137 HydrophobicContact CG2-CD1 3.94Å; F67-L137 WeakPolarHBondContact O-CA 3.41Å; F67-L137 VanDerWaalsContact O-CB 3.25Å; F67-L137 WeakPolarHBondContact O-CB 3.45Å; F67-L137 PolarHBondContact O-N 2.52Å; V73-L137 HydrophobicContact CB-CD1 4.44Å; V73-L137 HydrophobicContact CG1-CD1 4.2Å; V73-L137 HydrophobicContact CG1-CD2 4.22Å; L77-L137 HydrophobicContact CD2-CD1 4.02Å; V135-L137 HydrophobicContact CG1-CD1 4.41Å; V135-L137 HydrophobicContact CG1-CD2 3.79Å; V135-L137 HydrophobicContact CG1-CG 3.83Å; L137-G139 PolarHBondContact O-N 2.84Å; L137-F175 HydrophobicContact CD2-CB 4.03Å; L137-F175 HydrophobicContact CD2-CD1 3.8Å; L137-F175 HydrophobicContact CD2-CD2 3.2Å; L137-F175 HydrophobicContact CD2-CE1 3.95Å; L137-F175 HydrophobicContact CD2-CE2 3.37Å; L137-F175 HydrophobicContact CD2-CG 3.4Å; L137-F175 HydrophobicContact CD2-CZ 3.72Å
138	I	95.8	Very high	92.5	Very high	22 Å²	22	45 Å²	45	11%	0.113	23%	0.228	C	C	.	.			trans	-68.7	123.3	178.9	-66.2	156.2	0	0	0	108.9	F67 L118 N136 I160	F67-I138 HydrophobicContact CB-CD1 3.59Å; F67-I138 HydrophobicContact CB-CG1 3.89Å; F67-I138 HydrophobicContact CD1-CD1 4.21Å; F67-I138 HydrophobicContact CG-CD1 4.12Å; L118-I138 HydrophobicContact CD1-CG2 4.45Å; L118-I138 HydrophobicContact CD2-CD1 3.49Å; L118-I138 VanDerWaalsContact CD2-CD1 3.49Å; L118-I138 HydrophobicContact CD2-CG1 4.49Å; N136-I138 WeakPolarHBondContact OD1-CB 3.45Å; N136-I138 PolarHBondContact OD1-N 2.85Å; I138-I160 HydrophobicContact CD1-CD1 3.47Å; I138-I160 VanDerWaalsContact CD1-CD1 3.47Å
139	G	92.7	Very high	92.5	Very high	40 Å²	40	45.4 Å²	45.4	41%	0.412	23%	0.23	S	C	.	.			trans	-172.3	152.8	173.6	0	0	0	0	0	110.7	L137	L137-G139 PolarHBondContact O-N 2.84Å
140	A	91.6	Very high	92.7	Very high	17 Å²	17	45.3 Å²	45.3	14%	0.14	23%	0.23	C	C	.	.			trans	-132	147.6	175.4	0	0	0	0	0	109.6	F149 L152 F195	A140-F149 WeakPolarHBondContact O-CE1 3.49Å; A140-L152 HydrophobicContact CB-CD1 3.79Å; A140-F195 VanDerWaalsContact O-CD2 3.27Å; A140-F195 WeakPolarHBondContact O-CD2 3.37Å; A140-F195 WeakPolarHBondContact O-CE2 3.47Å
141	D	88.7	Confident	93	Very high	24 Å²	24	41.7 Å²	41.7	13%	0.128	22%	0.219	C	C	.	.	S	Bend	trans	-90.9	-8.9	178.4	-74.4	-0.4	0	0	0	112.8	R227 N340 R346	D141-R227 VanDerWaalsContact CG-CZ 3.5Å; D141-R227 IonicContact OD1-CZ 3.44Å; D141-R227 IonicContact OD1-NH2 3.83Å; D141-R227 PolarHBondContact OD1-NH2 2.82Å; D141-R227 WeakPolarHBondContact OD2-CD 3.48Å; D141-R227 IonicContact OD2-CZ 2.76Å; D141-R227 IonicContact OD2-NE 2.9Å; D141-R227 PolarHBondContact OD2-NE 2.86Å; D141-R227 IonicContact OD2-NH2 3.76Å; D141-R227 PolarHBondContact OD2-NH2 2.87Å; D141-N340 PolarHBondContact O-ND2 3.49Å; D141-N340 VanDerWaalsContact O-ND2 3.07Å; D141-R346 IonicContact OD1-CZ 3.17Å; D141-R346 IonicContact OD1-NH1 3.31Å; D141-R346 PolarHBondContact OD1-NH1 2.87Å; D141-R346 IonicContact OD1-NH2 2.89Å; D141-R346 IonicContact OD2-NH1 2.67Å; D141-R346 IonicContact OD2-NH2 3.78Å; D141-R346 PolarHBondContact OD2-NH2 3.15Å
142	Y	90	Very high	93.1	Very high	60 Å²	60	42.3 Å²	42.3	24%	0.235	22%	0.222	C	C	.	.	S	Bend	trans	-141.1	148.9	179.9	65.4	-81.8	0	0	0	108.8	T144 Q336 P337	Y142-T144 HydrophobicContact CD2-CG2 4.31Å; Y142-T144 HydrophobicContact CE2-CG2 3.79Å; Y142-Q336 HydrophobicContact CD1-CB 4.46Å; Y142-Q336 HydrophobicContact CD1-CG 3.82Å; Y142-Q336 HydrophobicContact CE1-CB 3.69Å; Y142-Q336 HydrophobicContact CE1-CG 3.35Å; Y142-Q336 HydrophobicContact CE2-CB 4.5Å; Y142-P337 HydrophobicContact CG-CG 4.17Å
143	E	90	Very high	93.3	Very high	107 Å²	107	41.9 Å²	41.9	50%	0.5	22%	0.22	S	C	.	.			trans	-76.4	143.5	174.8	-58	-163.5	132.9	0	0	110.8	F149	E143-F149 VanDerWaalsContact CD-CD2 3.49Å; E143-F149 HydrophobicContact CG-CD1 4.08Å; E143-F149 HydrophobicContact CG-CD2 3.23Å; E143-F149 HydrophobicContact CG-CE1 4.08Å; E143-F149 HydrophobicContact CG-CE2 3.27Å; E143-F149 HydrophobicContact CG-CG 3.67Å; E143-F149 HydrophobicContact CG-CZ 3.71Å; E143-F149 WeakPolarHBondContact OE1-CD2 3.39Å; E143-F149 PolarHBondContact OE1-N 2.95Å
144	T	89	Confident	93.4	Very high	58 Å²	58	42 Å²	42	36%	0.356	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-106.2	153.4	170.7	63.2	0	0	0	0	108.8	Y142 N146 F147	Y142-T144 HydrophobicContact CD2-CG2 4.31Å; Y142-T144 HydrophobicContact CE2-CG2 3.79Å; T144-N146 PolarHBondContact O-N 2.91Å; T144-F147 PolarHBondContact N-O 2.87Å; T144-F147 CarbonylContact O-C 3.18Å; T144-F147 PolarHBondContact O-N 2.77Å; T144-F147 WeakPolarHBondContact OG1-CB 3.29Å; T144-F147 PolarHBondContact OG1-N 3.37Å; T144-F147 PolarHBondContact OG1-O 2.81Å
145	K	87.8	Confident	93.4	Very high	188 Å²	188	44.3 Å²	44.3	82%	0.817	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.4	178.9	-175.5	176.5	178.8	178.9	0	113.6
146	N	89.5	Confident	93.3	Very high	115 Å²	115	44.6 Å²	44.6	62%	0.615	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-16.6	-175.4	-62.5	-11.9	0	0	0	113.8	T144	T144-N146 PolarHBondContact O-N 2.91Å
147	F	92.5	Very high	93.3	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.066	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-141	114.1	-177.3	-69.1	-89.9	0	0	0	109.9	R93 F117 K119 T144 D151 L152	R93-F147 VanDerWaalsContact CZ-CE2 3.44Å; F117-F147 HydrophobicContact CE2-CE2 4.43Å; F117-F147 AromaticContact CE2-CZ 3.79Å; F117-F147 HydrophobicContact CE2-CZ 3.79Å; F117-F147 AromaticContact CZ-CZ 3.89Å; F117-F147 HydrophobicContact CZ-CZ 3.89Å; K119-F147 HydrophobicContact CD-CE1 4.46Å; K119-F147 HydrophobicContact CG-CE1 4.28Å; T144-F147 PolarHBondContact N-O 2.87Å; T144-F147 CarbonylContact O-C 3.18Å; T144-F147 PolarHBondContact O-N 2.77Å; T144-F147 WeakPolarHBondContact OG1-CB 3.29Å; T144-F147 PolarHBondContact OG1-N 3.37Å; T144-F147 PolarHBondContact OG1-O 2.81Å; F147-D151 HydrophobicContact CD1-CB 4.35Å; F147-L152 HydrophobicContact CB-CD1 4.07Å; F147-L152 HydrophobicContact CB-CD2 3.93Å; F147-L152 HydrophobicContact CB-CG 3.92Å; F147-L152 HydrophobicContact CD1-CD2 3.83Å; F147-L152 HydrophobicContact CD1-CG 4.49Å; F147-L152 HydrophobicContact CG-CD2 4.06Å
148	S	94	Very high	93.3	Very high	36 Å²	36	47.5 Å²	47.5	25%	0.252	24%	0.244	S	C	.	.			trans	-75.2	167.7	170.5	65.7	0	0	0	0	111.5	H150 D151 L152	S148-H150 VanDerWaalsContact C-N 3.25Å; S148-H150 PolarHBondContact O-N 2.83Å; S148-D151 PolarHBondContact N-OD2 2.81Å; S148-D151 PolarHBondContact O-N 3.5Å; S148-D151 PolarHBondContact OG-N 3.33Å; S148-D151 PolarHBondContact OG-OD2 3.25Å; S148-L152 WeakPolarHBondContact O-CG 3.49Å; S148-L152 PolarHBondContact O-N 3.01Å
149	F	94.4	Very high	93.4	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-35.8	171.9	-71.2	-52.5	0	0	0	112.5	A140 E143 L152 H153 Q194 F195 T198 E342	A140-F149 WeakPolarHBondContact O-CE1 3.49Å; E143-F149 VanDerWaalsContact CD-CD2 3.49Å; E143-F149 HydrophobicContact CG-CD1 4.08Å; E143-F149 HydrophobicContact CG-CD2 3.23Å; E143-F149 HydrophobicContact CG-CE1 4.08Å; E143-F149 HydrophobicContact CG-CE2 3.27Å; E143-F149 HydrophobicContact CG-CG 3.67Å; E143-F149 HydrophobicContact CG-CZ 3.71Å; E143-F149 WeakPolarHBondContact OE1-CD2 3.39Å; E143-F149 PolarHBondContact OE1-N 2.95Å; F149-L152 PolarHBondContact O-N 3.39Å; F149-H153 AromaticContact CD1-CE1 3.86Å; F149-H153 WeakPolarHBondContact O-CB 3.34Å; F149-H153 PolarHBondContact O-N 2.5Å; F149-Q194 HydrophobicContact CD2-CB 3.92Å; F149-Q194 HydrophobicContact CE2-CB 4.44Å; F149-F195 HydrophobicContact CD1-CD2 4.46Å; F149-F195 HydrophobicContact CE1-CD2 4.14Å; F149-F195 HydrophobicContact CZ-CB 4.44Å; F149-T198 HydrophobicContact CB-CG2 3.88Å; F149-E342 HydrophobicContact CE2-CG 4.05Å; F149-E342 HydrophobicContact CZ-CG 4.02Å
150	H	95.2	Very high	93.6	Very high	85 Å²	85	49 Å²	49	39%	0.394	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-46.4	178.4	-170.9	-79	0	0	0	111.6	S148 L152 V154 D155 T198	S148-H150 VanDerWaalsContact C-N 3.25Å; S148-H150 PolarHBondContact O-N 2.83Å; H150-L152 PolarHBondContact O-N 3.26Å; H150-V154 WeakPolarHBondContact O-CA 3.43Å; H150-V154 WeakPolarHBondContact O-CB 3.25Å; H150-V154 PolarHBondContact O-N 2.79Å; H150-D155 IonicContact CE1-OD1 3.94Å; H150-D155 IonicContact CE1-OD2 3.28Å; H150-D155 PolarHBondContact CE1-OD2 3.39Å; H150-D155 IonicContact ND1-OD1 2.8Å; H150-D155 IonicContact ND1-OD2 3.93Å; H150-D155 PolarHBondContact ND1-OD2 2.91Å; H150-D155 PolarHBondContact O-N 3.43Å; H150-D155 VanDerWaalsContact O-N 3.15Å; H150-T198 HydrophobicContact CB-CG2 4.47Å
151	D	95.4	Very high	93.8	Very high	46 Å²	46	48.2 Å²	48.2	25%	0.246	23%	0.23	C	C	.	.	I	π-helix	trans	-58.2	-39.1	178.6	-66	-54.3	0	0	0	111.7	F147 S148 A156	F147-D151 HydrophobicContact CD1-CB 4.35Å; S148-D151 PolarHBondContact N-OD2 2.81Å; S148-D151 PolarHBondContact O-N 3.5Å; S148-D151 PolarHBondContact OG-N 3.33Å; S148-D151 PolarHBondContact OG-OD2 3.25Å; D151-A156 WeakPolarHBondContact O-CB 3.31Å; D151-A156 PolarHBondContact O-N 3.28Å
152	L	94.3	Very high	94.1	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	24%	0.242	C	C	.	.	I	π-helix	trans	-82.3	-48.4	-174.5	-66.9	174.4	0	0	0	113	L118 A140 F147 S148 F149 H150 A156	L118-L152 HydrophobicContact CD1-CD2 3.85Å; A140-L152 HydrophobicContact CB-CD1 3.79Å; F147-L152 HydrophobicContact CB-CD1 4.07Å; F147-L152 HydrophobicContact CB-CD2 3.93Å; F147-L152 HydrophobicContact CB-CG 3.92Å; F147-L152 HydrophobicContact CD1-CD2 3.83Å; F147-L152 HydrophobicContact CD1-CG 4.49Å; F147-L152 HydrophobicContact CG-CD2 4.06Å; S148-L152 WeakPolarHBondContact O-CG 3.49Å; S148-L152 PolarHBondContact O-N 3.01Å; F149-L152 PolarHBondContact O-N 3.39Å; H150-L152 PolarHBondContact O-N 3.26Å; L152-A156 WeakPolarHBondContact O-CB 3.47Å
153	H	96.1	Very high	94.4	Very high	7 Å²	7	48.7 Å²	48.7	3%	0.032	23%	0.232	C	C	.	.	I	π-helix	trans	-89.2	-30.5	-172.5	-59.2	154.3	0	0	0	112.8	F149 A157 F195 T198 G202	F149-H153 AromaticContact CD1-CE1 3.86Å; F149-H153 WeakPolarHBondContact O-CB 3.34Å; F149-H153 PolarHBondContact O-N 2.5Å; H153-A157 WeakPolarHBondContact O-CB 3.32Å; H153-F195 AromaticContact CE1-CD2 3.51Å; H153-F195 AromaticContact CE1-CE2 3.71Å; H153-T198 PolarHBondContact ND1-OG1 2.91Å; H153-G202 WeakPolarHBondContact O-CA 3.28Å
154	V	96.6	Very high	94.6	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.042	21%	0.208	C	C	.	.	I	π-helix	trans	-99.1	-63.9	-178	-173.3	0	0	0	0	110.3	H150 A157 R158 L201 A205	H150-V154 WeakPolarHBondContact O-CA 3.43Å; H150-V154 WeakPolarHBondContact O-CB 3.25Å; H150-V154 PolarHBondContact O-N 2.79Å; V154-A157 PolarHBondContact O-N 2.95Å; V154-R158 VanDerWaalsContact O-CB 3.28Å; V154-R158 WeakPolarHBondContact O-CB 3.33Å; V154-R158 PolarHBondContact O-N 3.45Å; V154-L201 HydrophobicContact CG2-CB 3.68Å; V154-A205 HydrophobicContact CG1-CB 4.36Å
155	D	96.4	Very high	94.8	Very high	50 Å²	50	44 Å²	44	27%	0.267	20%	0.203	S	C	.	.	I	π-helix	trans	-68.9	-45.6	-169.8	-63.8	-43.2	0	0	0	112.1	H150 R159	H150-D155 IonicContact CE1-OD1 3.94Å; H150-D155 IonicContact CE1-OD2 3.28Å; H150-D155 PolarHBondContact CE1-OD2 3.39Å; H150-D155 IonicContact ND1-OD1 2.8Å; H150-D155 IonicContact ND1-OD2 3.93Å; H150-D155 PolarHBondContact ND1-OD2 2.91Å; H150-D155 PolarHBondContact O-N 3.43Å; H150-D155 VanDerWaalsContact O-N 3.15Å; D155-R159 WeakPolarHBondContact O-CB 3.44Å; D155-R159 VanDerWaalsContact O-CG 3.26Å; D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 2.84Å
156	A	95.9	Very high	95	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-38.9	177.8	0	0	0	0	0	112.5	L118 D151 L152 R159 I160	L118-A156 HydrophobicContact CD2-CB 4.14Å; D151-A156 WeakPolarHBondContact O-CB 3.31Å; D151-A156 PolarHBondContact O-N 3.28Å; L152-A156 WeakPolarHBondContact O-CB 3.47Å; A156-R159 PolarHBondContact O-N 3.07Å; A156-I160 VanDerWaalsContact O-CG1 3.32Å; A156-I160 WeakPolarHBondContact O-CG1 3.45Å; A156-I160 PolarHBondContact O-N 3.27Å
157	A	96.9	Very high	95.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-42.6	177	0	0	0	0	0	111.6	H153 V154 I160 A161 V206	H153-A157 WeakPolarHBondContact O-CB 3.32Å; V154-A157 PolarHBondContact O-N 2.95Å; A157-I160 PolarHBondContact O-N 3.19Å; A157-A161 WeakPolarHBondContact O-CB 3.24Å; A157-A161 PolarHBondContact O-N 3.12Å; A157-V206 HydrophobicContact CB-CG2 3.71Å
158	R	97.1	Very high	94.9	Very high	90 Å²	90	33.7 Å²	33.7	34%	0.34	16%	0.155	S	C	.	.	H	α-helix	trans	-59.3	-46.6	173.2	-175	176	-82.4	158.4	-7.9	111.7	V154 I160 A161 K162 A205 E208 E209	V154-R158 VanDerWaalsContact O-CB 3.28Å; V154-R158 WeakPolarHBondContact O-CB 3.33Å; V154-R158 PolarHBondContact O-N 3.45Å; R158-I160 PolarHBondContact O-N 3.24Å; R158-A161 PolarHBondContact O-N 2.92Å; R158-K162 WeakPolarHBondContact O-CB 3.29Å; R158-K162 PolarHBondContact O-N 3.31Å; R158-A205 HydrophobicContact CB-CB 4.15Å; R158-E208 IonicContact NH2-OE2 3.87Å; R158-E208 PolarHBondContact NH2-OE2 3.45Å; R158-E208 VanDerWaalsContact NH2-OE2 3.15Å; R158-E209 HydrophobicContact CG-CG 3.84Å
159	R	96.8	Very high	94.8	Very high	90 Å²	90	32 Å²	32	34%	0.34	14%	0.143	S	C	.	.	H	α-helix	trans	-59.1	-47.2	177	-75.2	172.3	-172.9	-100.3	0	111.9	D121 L124 D155 A156 K162 I163	D121-R159 VanDerWaalsContact CG-NH1 3.32Å; D121-R159 IonicContact OD1-CZ 3.37Å; D121-R159 IonicContact OD1-NH1 2.7Å; D121-R159 PolarHBondContact OD1-NH1 3.31Å; D121-R159 IonicContact OD2-NH1 3.19Å; D121-R159 PolarHBondContact OD2-NH1 2.97Å; L124-R159 HydrophobicContact CD1-CB 4.21Å; D155-R159 WeakPolarHBondContact O-CB 3.44Å; D155-R159 VanDerWaalsContact O-CG 3.26Å; D155-R159 WeakPolarHBondContact O-CG 3.5Å; D155-R159 PolarHBondContact O-N 2.84Å; A156-R159 PolarHBondContact O-N 3.07Å; R159-K162 PolarHBondContact O-N 2.78Å; R159-I163 WeakPolarHBondContact O-CB 3.18Å; R159-I163 VanDerWaalsContact O-CG1 3.27Å; R159-I163 WeakPolarHBondContact O-CG1 3.43Å; R159-I163 PolarHBondContact O-N 2.84Å
160	I	96.7	Very high	94.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-44.6	178.7	-69.1	165.3	0	0	0	110.7	F67 L124 V134 I138 A156 A157 R158 I163 S164 L172	F67-I160 HydrophobicContact CD1-CD1 4.36Å; F67-I160 HydrophobicContact CD2-CD1 4.1Å; F67-I160 HydrophobicContact CD2-CG1 4.47Å; F67-I160 HydrophobicContact CD2-CG2 3.97Å; F67-I160 HydrophobicContact CE2-CD1 4.4Å; F67-I160 HydrophobicContact CE2-CG1 4.29Å; F67-I160 HydrophobicContact CE2-CG2 3.76Å; F67-I160 HydrophobicContact CG-CD1 4.08Å; F67-I160 HydrophobicContact CZ-CG1 4.44Å; L124-I160 HydrophobicContact CD1-CG1 4.41Å; L124-I160 HydrophobicContact CD2-CG1 4.28Å; V134-I160 HydrophobicContact CG1-CG2 4.33Å; I138-I160 HydrophobicContact CD1-CD1 3.47Å; I138-I160 VanDerWaalsContact CD1-CD1 3.47Å; A156-I160 VanDerWaalsContact O-CG1 3.32Å; A156-I160 WeakPolarHBondContact O-CG1 3.45Å; A156-I160 PolarHBondContact O-N 3.27Å; A157-I160 PolarHBondContact O-N 3.19Å; R158-I160 PolarHBondContact O-N 3.24Å; I160-I163 PolarHBondContact O-N 3.4Å; I160-S164 VanDerWaalsContact O-CB 3.24Å; I160-S164 WeakPolarHBondContact O-CB 3.23Å; I160-S164 PolarHBondContact O-N 2.65Å; I160-S164 PolarHBondContact O-OG 3.41Å; I160-L172 HydrophobicContact CG2-CD1 4.46Å
161	A	96.5	Very high	94.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-46.7	178.4	0	0	0	0	0	111.9	A157 R158 S164 R165 L172 V206 E209 F210	A157-A161 WeakPolarHBondContact O-CB 3.24Å; A157-A161 PolarHBondContact O-N 3.12Å; R158-A161 PolarHBondContact O-N 2.92Å; A161-S164 PolarHBondContact O-N 3.09Å; A161-R165 PolarHBondContact O-N 3.26Å; A161-L172 HydrophobicContact CB-CD2 3.96Å; A161-V206 HydrophobicContact CB-CB 4.44Å; A161-V206 HydrophobicContact CB-CG1 4.22Å; A161-V206 HydrophobicContact CB-CG2 4.34Å; A161-E209 HydrophobicContact CB-CB 3.8Å; A161-F210 HydrophobicContact CB-CB 4.27Å
162	K	95.6	Very high	94.5	Very high	91 Å²	91	30.8 Å²	30.8	40%	0.396	14%	0.136	S	C	.	.	H	α-helix	trans	-58.8	-49	176.1	-179.3	178.9	176	-178.7	0	112.2	R158 R159 S164 R165 E166 E209	R158-K162 WeakPolarHBondContact O-CB 3.29Å; R158-K162 PolarHBondContact O-N 3.31Å; R159-K162 PolarHBondContact O-N 2.78Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.3Å; K162-R165 WeakPolarHBondContact O-CB 3.47Å; K162-R165 PolarHBondContact O-N 3.11Å; K162-E166 WeakPolarHBondContact CE-OE1 3.34Å; K162-E166 WeakPolarHBondContact O-CG 3.27Å; K162-E166 PolarHBondContact O-N 3.43Å; K162-E209 HydrophobicContact CB-CG 4.3Å
163	I	95.2	Very high	94.7	Very high	4 Å²	4	30 Å²	30	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-36.5	179.7	-69.1	170.5	0	0	0	111.2	D121 L124 R125 V128 R159 I160 R165 E166 M167	D121-I163 HydrophobicContact CB-CD1 4.13Å; L124-I163 HydrophobicContact CB-CD1 3.46Å; L124-I163 VanDerWaalsContact CB-CD1 3.46Å; L124-I163 HydrophobicContact CD1-CD1 3.81Å; L124-I163 HydrophobicContact CG-CD1 4.29Å; R125-I163 HydrophobicContact CB-CG2 4.46Å; R125-I163 HydrophobicContact CG-CD1 4.36Å; R125-I163 HydrophobicContact CG-CG1 4.33Å; R125-I163 HydrophobicContact CG-CG2 3.8Å; V128-I163 HydrophobicContact CB-CG2 4.48Å; R159-I163 WeakPolarHBondContact O-CB 3.18Å; R159-I163 VanDerWaalsContact O-CG1 3.27Å; R159-I163 WeakPolarHBondContact O-CG1 3.43Å; R159-I163 PolarHBondContact O-N 2.84Å; I160-I163 PolarHBondContact O-N 3.4Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.77Å; I163-E166 PolarHBondContact O-N 3.09Å; I163-M167 HydrophobicContact CG2-CG 4.37Å; I163-M167 WeakPolarHBondContact O-CB 3.48Å; I163-M167 WeakPolarHBondContact O-CG 3.21Å; I163-M167 PolarHBondContact O-N 2.94Å
164	S	94.5	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-39.9	175.6	-59.6	0	0	0	0	111.4	I160 A161 K162 M167 G168 V169	I160-S164 VanDerWaalsContact O-CB 3.24Å; I160-S164 WeakPolarHBondContact O-CB 3.23Å; I160-S164 PolarHBondContact O-N 2.65Å; I160-S164 PolarHBondContact O-OG 3.41Å; A161-S164 PolarHBondContact O-N 3.09Å; K162-S164 VanDerWaalsContact C-N 3.32Å; K162-S164 PolarHBondContact O-N 3.3Å; S164-M167 PolarHBondContact O-N 2.69Å; S164-G168 PolarHBondContact O-N 3.17Å; S164-V169 WeakPolarHBondContact O-CB 3.43Å; S164-V169 WeakPolarHBondContact O-CG2 3.25Å; S164-V169 PolarHBondContact O-N 3.06Å
165	R	93.4	Very high	94.8	Very high	66 Å²	66	30.7 Å²	30.7	25%	0.249	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-48.9	171.2	-174.3	-177.2	62.7	-147.1	-5.1	111.4	P38 A161 K162 I163 M167 G168 E209 F210	P38-R165 WeakPolarHBondContact CD-O 2.97Å; P38-R165 VanDerWaalsContact CG-O 3.27Å; P38-R165 WeakPolarHBondContact CG-O 3.27Å; A161-R165 PolarHBondContact O-N 3.26Å; K162-R165 WeakPolarHBondContact O-CB 3.47Å; K162-R165 PolarHBondContact O-N 3.11Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.77Å; R165-M167 PolarHBondContact O-N 2.89Å; R165-G168 PolarHBondContact O-N 2.74Å; R165-E209 WeakPolarHBondContact CD-O 3.06Å; R165-E209 IonicContact CZ-OE2 3.15Å; R165-E209 PolarHBondContact NH1-O 3.19Å; R165-E209 IonicContact NH1-OE2 3.17Å; R165-E209 PolarHBondContact NH1-OE2 3.04Å; R165-E209 IonicContact NH2-OE2 3.25Å; R165-E209 PolarHBondContact NH2-OE2 2.77Å; R165-F210 HydrophobicContact CB-CD2 4.11Å
166	E	92.5	Very high	94.7	Very high	78 Å²	78	28.3 Å²	28.3	36%	0.364	12%	0.122	S	C	.	.	H	α-helix	trans	-57.8	-34.5	179.4	-72.7	172.9	-168.9	0	0	112.9	R125 K162 I163	R125-E166 IonicContact CZ-OE2 3.15Å; R125-E166 IonicContact NE-OE2 2.57Å; R125-E166 PolarHBondContact NE-OE2 3.08Å; R125-E166 IonicContact NH2-OE2 3.15Å; R125-E166 PolarHBondContact NH2-OE2 3.45Å; K162-E166 WeakPolarHBondContact CE-OE1 3.34Å; K162-E166 WeakPolarHBondContact O-CG 3.27Å; K162-E166 PolarHBondContact O-N 3.43Å; I163-E166 PolarHBondContact O-N 3.09Å
167	M	91.1	Very high	94.5	Very high	23 Å²	23	28.7 Å²	28.7	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-88.9	-9.8	-178.4	-67.4	-62.5	178.1	0	0	114.6	R125 V128 I163 S164 R165	R125-M167 HydrophobicContact CB-CE 3.45Å; R125-M167 VanDerWaalsContact CB-CE 3.45Å; R125-M167 HydrophobicContact CG-CE 3.56Å; V128-M167 HydrophobicContact CB-CG 4.5Å; V128-M167 HydrophobicContact CG1-CB 4.03Å; V128-M167 HydrophobicContact CG1-CG 4.26Å; I163-M167 HydrophobicContact CG2-CG 4.37Å; I163-M167 WeakPolarHBondContact O-CB 3.48Å; I163-M167 WeakPolarHBondContact O-CG 3.21Å; I163-M167 PolarHBondContact O-N 2.94Å; S164-M167 PolarHBondContact O-N 2.69Å; R165-M167 PolarHBondContact O-N 2.89Å
168	G	89.2	Confident	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	33.6	178	0	0	0	0	0	114.5	P38 P40 S164 R165 Q170	P38-G168 WeakPolarHBondContact O-CA 3.21Å; P40-G168 WeakPolarHBondContact CA-O 3.48Å; P40-G168 WeakPolarHBondContact CB-O 3.43Å; S164-G168 PolarHBondContact O-N 3.17Å; R165-G168 PolarHBondContact O-N 2.74Å; G168-Q170 PolarHBondContact O-N 3.38Å
169	V	92	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.			trans	-62.5	133.5	175.7	175.7	0	0	0	0	109.6	V128 N132 V134 S164 H171 F210	V128-V169 HydrophobicContact CG1-CG2 3.45Å; V128-V169 VanDerWaalsContact CG1-CG2 3.45Å; N132-V169 WeakPolarHBondContact O-CG1 3.49Å; V134-V169 HydrophobicContact CB-CG1 4.03Å; V134-V169 HydrophobicContact CG2-CB 4.32Å; V134-V169 HydrophobicContact CG2-CG1 3.65Å; V134-V169 HydrophobicContact CG2-CG2 3.66Å; S164-V169 WeakPolarHBondContact O-CB 3.43Å; S164-V169 WeakPolarHBondContact O-CG2 3.25Å; S164-V169 PolarHBondContact O-N 3.06Å; V169-H171 WeakPolarHBondContact CG1-O 3.46Å; V169-F210 WeakPolarHBondContact O-CZ 3.14Å
170	Q	89.9	Confident	93.1	Very high	82 Å²	82	22.4 Å²	22.4	38%	0.383	11%	0.106	S	C	.	.	S	Bend	trans	-77.3	-49.1	-177.7	-65.7	175.2	-17.2	0	0	111.4	P40 N132 G168	P40-Q170 HydrophobicContact CG-CG 4.29Å; N132-Q170 PolarHBondContact O-N 2.92Å; G168-Q170 PolarHBondContact O-N 3.38Å
171	H	92.8	Very high	92.6	Very high	29 Å²	29	25.8 Å²	25.8	13%	0.134	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.9	-178.9	-64.3	-71	0	0	0	111.1	N132 L133 V134 V169	N132-H171 PolarHBondContact O-N 3.27Å; L133-H171 WeakPolarHBondContact CA-O 3.35Å; L133-H171 HydrophobicContact CD2-CB 3.73Å; V134-H171 PolarHBondContact N-O 3.2Å; V169-H171 WeakPolarHBondContact CG1-O 3.46Å
172	L	95.9	Very high	92.3	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.8	172.5	178.2	65.9	0	0	0	108.8	V134 I160 A161 V206 F210 A213 V214	V134-L172 HydrophobicContact CB-CD1 3.72Å; V134-L172 HydrophobicContact CG1-CD1 3.57Å; V134-L172 WeakPolarHBondContact O-CA 3.16Å; I160-L172 HydrophobicContact CG2-CD1 4.46Å; A161-L172 HydrophobicContact CB-CD2 3.96Å; L172-V206 HydrophobicContact CD2-CG1 4.23Å; L172-F210 HydrophobicContact CB-CD1 4.05Å; L172-F210 HydrophobicContact CB-CE1 3.99Å; L172-F210 HydrophobicContact CB-CG 4.4Å; L172-F210 HydrophobicContact CB-CZ 4.3Å; L172-F210 HydrophobicContact CD2-CB 4Å; L172-F210 HydrophobicContact CD2-CD1 4.31Å; L172-F210 HydrophobicContact CD2-CD2 4.45Å; L172-F210 HydrophobicContact CD2-CG 4.01Å; L172-A213 HydrophobicContact CB-CB 4.41Å; L172-A213 HydrophobicContact CD2-CB 4.25Å; L172-A213 HydrophobicContact CG-CB 4.43Å; L172-A213 WeakPolarHBondContact O-CA 3.49Å; L172-V214 PolarHBondContact O-N 3.07Å
173	V	97.2	Very high	91.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.7	174.3	179.8	0	0	0	0	109.1	V134 V135 N136 F175 V214 I216 T267 L271	V134-V173 PolarHBondContact O-N 2.61Å; V135-V173 WeakPolarHBondContact CA-O 3.37Å; V135-V173 HydrophobicContact CG1-CB 4.48Å; N136-V173 PolarHBondContact N-O 2.95Å; V173-F175 HydrophobicContact CG1-CD2 4.19Å; V173-F175 HydrophobicContact CG1-CE2 4Å; V173-V214 WeakPolarHBondContact CA-O 3.38Å; V173-V214 HydrophobicContact CG2-CB 4.18Å; V173-I216 HydrophobicContact CG1-CD1 3.45Å; V173-I216 VanDerWaalsContact CG1-CD1 3.45Å; V173-I216 HydrophobicContact CG1-CG1 3.97Å; V173-T267 HydrophobicContact CG1-CG2 4.45Å; V173-L271 HydrophobicContact CB-CD2 4.29Å; V173-L271 HydrophobicContact CG2-CD2 3.46Å; V173-L271 VanDerWaalsContact CG2-CD2 3.46Å; V173-L271 HydrophobicContact CG2-CG 3.94Å
174	H	97.7	Very high	91.3	Very high	9 Å²	9	31 Å²	31	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.5	178.1	-179.4	59.2	0	0	0	111.2	N136 V206 V214 I215 I216	N136-H174 PolarHBondContact ND2-ND1 3.14Å; N136-H174 VanDerWaalsContact ND2-ND1 3.2Å; H174-V206 HydrophobicContact CB-CG1 4.11Å; H174-V214 PolarHBondContact N-O 3.23Å; H174-I215 WeakPolarHBondContact O-CA 3.43Å; H174-I216 PolarHBondContact O-N 3.05Å
175	F	97.1	Very high	90.5	Very high	19 Å²	19	35.2 Å²	35.2	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.6	176.2	-87.3	-119.1	0	0	0	111.9	V73 V135 N136 L137 V173 I216 P218 V263 T267	V73-F175 HydrophobicContact CG1-CE1 4.02Å; V73-F175 HydrophobicContact CG1-CZ 4.35Å; V135-F175 HydrophobicContact CG1-CD2 4.45Å; V135-F175 HydrophobicContact CG1-CE2 4.22Å; N136-F175 PolarHBondContact O-N 3.43Å; N136-F175 VanDerWaalsContact O-N 3.11Å; L137-F175 HydrophobicContact CD2-CB 4.03Å; L137-F175 HydrophobicContact CD2-CD1 3.8Å; L137-F175 HydrophobicContact CD2-CD2 3.2Å; L137-F175 HydrophobicContact CD2-CE1 3.95Å; L137-F175 HydrophobicContact CD2-CE2 3.37Å; L137-F175 HydrophobicContact CD2-CG 3.4Å; L137-F175 HydrophobicContact CD2-CZ 3.72Å; V173-F175 HydrophobicContact CG1-CD2 4.19Å; V173-F175 HydrophobicContact CG1-CE2 4Å; F175-I216 WeakPolarHBondContact CA-O 3.22Å; F175-I216 HydrophobicContact CD1-CG2 4.48Å; F175-I216 HydrophobicContact CD2-CB 4.33Å; F175-I216 HydrophobicContact CD2-CD1 4.46Å; F175-I216 HydrophobicContact CE1-CG2 4.25Å; F175-I216 HydrophobicContact CE2-CB 4.37Å; F175-I216 HydrophobicContact CE2-CD1 3.82Å; F175-I216 HydrophobicContact CZ-CD1 4.13Å; F175-I216 HydrophobicContact CZ-CG2 4.35Å; F175-P218 HydrophobicContact CD1-CG 4.22Å; F175-V263 HydrophobicContact CE1-CG1 3.83Å; F175-V263 HydrophobicContact CZ-CG1 4.26Å; F175-T267 HydrophobicContact CE2-CG2 3.8Å; F175-T267 HydrophobicContact CZ-CG2 3.92Å; F175-T267 VanDerWaalsContact CZ-OG1 3.28Å; F175-T267 WeakPolarHBondContact CZ-OG1 3.33Å
176	S	95.1	Very high	89.8	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.187	C	C	.	.			trans	-118.9	-137	174.7	-175.3	0	0	0	0	110.4	K199 E203 I216 P218	S176-K199 PolarHBondContact O-NZ 3.3Å; S176-E203 WeakPolarHBondContact CB-OE1 3.05Å; S176-E203 WeakPolarHBondContact OG-CG 3.27Å; S176-E203 PolarHBondContact OG-OE1 3.46Å; S176-I216 PolarHBondContact N-O 3.31Å; S176-P218 WeakPolarHBondContact O-CD 3.48Å
177	A	92	Very high	88.8	Confident	12 Å²	12	34.6 Å²	34.6	10%	0.099	17%	0.173	C	C	.	.			trans	-148.3	150	178.3	0	0	0	0	0	109.8	N179 A180 F195 L196 K199 R217	A177-N179 VanDerWaalsContact C-N 3.32Å; A177-N179 PolarHBondContact O-N 3.06Å; A177-A180 WeakPolarHBondContact O-CB 3.48Å; A177-A180 PolarHBondContact O-N 3.37Å; A177-F195 HydrophobicContact CB-CE1 4.36Å; A177-L196 HydrophobicContact CB-CD2 4.1Å; A177-K199 HydrophobicContact CB-CD 3.65Å; A177-R217 WeakPolarHBondContact O-CG 3.36Å
178	L	88.5	Confident	88	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.042	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-46.6	-177.7	-170.1	67.3	0	0	0	113.2	A180 P218 A219 E282 V284 D372	L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 2.62Å; L178-P218 PolarHBondContact N-O 3.02Å; L178-A219 HydrophobicContact CD2-CB 3.99Å; L178-E282 HydrophobicContact CD1-CB 3.72Å; L178-E282 HydrophobicContact CD1-CG 3.63Å; L178-V284 HydrophobicContact CD1-CG2 3.69Å; L178-V284 HydrophobicContact CD2-CG2 3.86Å; L178-V284 HydrophobicContact CG-CG2 4.44Å; L178-D372 HydrophobicContact CD2-CB 3.86Å
179	N	85.3	Confident	87.7	Confident	27 Å²	27	38.3 Å²	38.3	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	30.6	-173.8	-48.2	-27.9	0	0	0	112.6	A177 N181 L196 Q349 S371 D372	A177-N179 VanDerWaalsContact C-N 3.32Å; A177-N179 PolarHBondContact O-N 3.06Å; N179-N181 PolarHBondContact O-N 2.99Å; N179-N181 VanDerWaalsContact O-N 3.07Å; N179-L196 HydrophobicContact CB-CD1 4.34Å; N179-Q349 PolarHBondContact ND2-OE1 2.86Å; N179-S371 PolarHBondContact ND2-O 3.2Å; N179-S371 PolarHBondContact OD1-O 2.76Å; N179-D372 PolarHBondContact ND2-OD1 2.86Å
180	A	86.8	Confident	87.2	Confident	14 Å²	14	43.5 Å²	43.5	12%	0.116	22%	0.222	C	C	.	.			trans	-65.5	106.9	175.7	0	0	0	0	0	109.8	A177 L178 K199 A200	A177-A180 WeakPolarHBondContact O-CB 3.48Å; A177-A180 PolarHBondContact O-N 3.37Å; L178-A180 VanDerWaalsContact C-N 3.34Å; L178-A180 PolarHBondContact O-N 2.62Å; A180-K199 HydrophobicContact CB-CB 4.22Å; A180-A200 HydrophobicContact CB-CB 4.13Å
181	N	86.6	Confident	86.7	Confident	75 Å²	75	40.7 Å²	40.7	40%	0.401	22%	0.216	S	C	.	.			trans	-127.8	142.7	175	-169.5	8.3	0	0	0	110.1	N179 E183 K197	N179-N181 PolarHBondContact O-N 2.99Å; N179-N181 VanDerWaalsContact O-N 3.07Å; N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-O 3.07Å; N181-E183 PolarHBondContact O-N 2.99Å; N181-K197 VanDerWaalsContact O-CA 3.3Å; N181-K197 WeakPolarHBondContact O-CA 3.37Å
182	V	89.4	Confident	86.3	Confident	35 Å²	35	39.3 Å²	39.3	21%	0.212	21%	0.209	C	C	.	.	S	Bend	trans	-68.6	-30.3	179.5	178.4	0	0	0	0	111.6	P184 K197 A200 L201 K204	V182-P184 WeakPolarHBondContact O-CD 3.3Å; V182-K197 WeakPolarHBondContact O-CG 3.32Å; V182-A200 HydrophobicContact CG2-CB 3.78Å; V182-L201 HydrophobicContact CG1-CD2 4Å; V182-L201 HydrophobicContact CG2-CD2 4.34Å; V182-K204 HydrophobicContact CG2-CD 4.28Å
183	E	87.5	Confident	86	Confident	157 Å²	157	39.3 Å²	39.3	73%	0.734	21%	0.21	S	C	*	.	S	Bend	trans	-118.5	77.8	176.4	-66.3	175.8	-174.3	0	0	108	N181	N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-O 3.07Å; N181-E183 PolarHBondContact O-N 2.99Å
184	P	82.6	Confident	85.7	Confident	12 Å²	12	42.4 Å²	42.4	8%	0.078	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.6	140.2	172.9	30.8	-35.6	0	0	0	108.9	V182 K197	V182-P184 WeakPolarHBondContact O-CD 3.3Å; P184-K197 HydrophobicContact CG-CB 3.97Å
185	K	77.5	Confident	85.4	Confident	90 Å²	90	42.4 Å²	42.4	39%	0.391	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.7	139.1	176.6	-61.1	-173	178.3	-177.3	0	109.1	N351 E368	K185-N351 WeakPolarHBondContact CD-OD1 3.24Å; K185-N351 VanDerWaalsContact CE-OD1 3.32Å; K185-N351 WeakPolarHBondContact CE-OD1 3.32Å; K185-N351 PolarHBondContact NZ-ND2 3.4Å; K185-N351 PolarHBondContact NZ-OD1 2.86Å; K185-E368 IonicContact NZ-OE2 3.77Å; K185-E368 PolarHBondContact NZ-OE2 3.24Å
186	E	79.1	Confident	85.2	Confident	120 Å²	120	41.9 Å²	41.9	56%	0.561	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-76.5	133.3	-178.9	-47.4	-171.6	163.9	0	0	109.8	G191	E186-G191 WeakPolarHBondContact OE1-CA 3.38Å; E186-G191 PolarHBondContact OE1-N 2.78Å
187	C	71.1	Confident	85.1	Confident	10 Å²	10	45.3 Å²	45.3	7%	0.068	24%	0.237	C	C	.	.	S	Bend	trans	-124.4	-45.3	174.6	-81.2	0	0	0	0	112	V348 I350 W354	C187-V348 PolarHBondContact SG-O 2.8Å; C187-I350 PolarHBondContact SG-N 3.41Å; C187-I350 VanDerWaalsContact SG-N 3.36Å; C187-I350 PolarHBondContact SG-O 3.17Å; C187-W354 PolarHBondContact O-NE1 3.23Å
188	Y	75.7	Confident	85.3	Confident	57 Å²	57	45.1 Å²	45.1	22%	0.224	23%	0.234	C	C	.	.	S	Bend	trans	-133.9	-34.9	178.8	-63.2	-89.1	0	0	0	112.1	H247 Y315 W341 V344 E345 V348 W354	Y188-H247 AromaticContact CZ-ND1 3.9Å; Y188-H247 PolarHBondContact OH-CE1 3.41Å; Y188-H247 PolarHBondContact OH-ND1 3.42Å; Y188-Y315 HydrophobicContact CE1-CD2 4.08Å; Y188-Y315 HydrophobicContact CE2-CE2 4.27Å; Y188-Y315 AromaticContact CZ-CD2 3.69Å; Y188-Y315 AromaticContact CZ-CE2 3.86Å; Y188-Y315 WeakPolarHBondContact OH-CD2 3.15Å; Y188-Y315 WeakPolarHBondContact OH-CE2 3.14Å; Y188-W341 HydrophobicContact CD1-CE3 4.49Å; Y188-W341 AromaticContact CD1-CZ3 3.86Å; Y188-W341 HydrophobicContact CD1-CZ3 3.86Å; Y188-W341 HydrophobicContact CE1-CZ3 4.38Å; Y188-W341 HydrophobicContact CG-CE3 4.27Å; Y188-W341 HydrophobicContact CG-CZ3 4.08Å; Y188-V344 HydrophobicContact CD2-CG1 4.03Å; Y188-V344 HydrophobicContact CE2-CG1 3.85Å; Y188-E345 HydrophobicContact CD2-CG 4.3Å; Y188-E345 PolarHBondContact N-OE1 3.11Å; Y188-V348 HydrophobicContact CE2-CB 4.33Å; Y188-V348 HydrophobicContact CE2-CG1 4.14Å; Y188-W354 AromaticContact CD1-CZ2 3.71Å; Y188-W354 HydrophobicContact CD1-CZ2 3.71Å; Y188-W354 HydrophobicContact CE1-CH2 4.15Å; Y188-W354 AromaticContact CE1-CZ2 3.46Å; Y188-W354 HydrophobicContact CE1-CZ2 3.46Å; Y188-W354 VanDerWaalsContact CE1-CZ2 3.46Å
189	I	81.5	Confident	85.6	Confident	45 Å²	45	46.3 Å²	46.3	23%	0.231	24%	0.239	C	C	.	.	S	Bend	trans	-95.6	130.2	179.3	-52.4	177.8	0	0	0	107.5	G191 G192 W341 E345	I189-G191 PolarHBondContact O-N 3.05Å; I189-G192 PolarHBondContact O-N 2.85Å; I189-W341 HydrophobicContact CD1-CB 3.87Å; I189-W341 HydrophobicContact CG1-CB 4.21Å; I189-E345 WeakPolarHBondContact CA-OE1 3.45Å; I189-E345 VanDerWaalsContact CB-CD 3.43Å; I189-E345 VanDerWaalsContact CB-OE1 3.3Å; I189-E345 WeakPolarHBondContact CB-OE1 3.44Å; I189-E345 WeakPolarHBondContact CB-OE2 3.42Å; I189-E345 HydrophobicContact CD1-CG 3.97Å; I189-E345 WeakPolarHBondContact CD1-OE2 3.14Å; I189-E345 HydrophobicContact CG1-CG 3.96Å; I189-E345 PolarHBondContact N-OE1 2.92Å
190	P	81.2	Confident	86	Confident	108 Å²	108	45.2 Å²	45.2	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	131.9	172.3	26.7	-33.7	0	0	0	109.7
191	G	80.7	Confident	86.5	Confident	24 Å²	24	47 Å²	47	25%	0.247	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-1	-172.6	0	0	0	0	0	115.8	E186 I189	E186-G191 WeakPolarHBondContact OE1-CA 3.38Å; E186-G191 PolarHBondContact OE1-N 2.78Å; I189-G191 PolarHBondContact O-N 3.05Å
192	G	84.9	Confident	87	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.			trans	66.2	-170.5	-179.5	0	0	0	0	0	113.7	I189 Q194	I189-G192 PolarHBondContact O-N 2.85Å; G192-Q194 PolarHBondContact O-N 2.86Å; G192-Q194 VanDerWaalsContact O-N 3.09Å
193	S	87.9	Confident	87.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.021	22%	0.215	C	C	.	.			trans	-66.2	111.7	-170.3	66	0	0	0	0	111.5	F195 L196 K197 E342 E345	S193-F195 PolarHBondContact O-N 2.82Å; S193-L196 PolarHBondContact O-N 3.41Å; S193-L196 WeakPolarHBondContact OG-CB 3.33Å; S193-L196 VanDerWaalsContact OG-CD1 3.3Å; S193-L196 WeakPolarHBondContact OG-CD1 3.49Å; S193-L196 WeakPolarHBondContact OG-CG 3.44Å; S193-K197 PolarHBondContact O-N 3.29Å; S193-E342 WeakPolarHBondContact CA-OE1 3.32Å; S193-E342 WeakPolarHBondContact CB-OE1 3.14Å; S193-E345 WeakPolarHBondContact CA-OE2 3.4Å; S193-E345 PolarHBondContact N-OE2 2.9Å
194	Q	92.1	Very high	87.8	Confident	65 Å²	65	40.5 Å²	40.5	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-64.3	-29.3	179.9	-63.3	-57.9	-30.1	0	0	112.2	F149 G192 T198 E342	F149-Q194 HydrophobicContact CD2-CB 3.92Å; F149-Q194 HydrophobicContact CE2-CB 4.44Å; G192-Q194 PolarHBondContact O-N 2.86Å; G192-Q194 VanDerWaalsContact O-N 3.09Å; Q194-T198 WeakPolarHBondContact O-CB 3.44Å; Q194-T198 WeakPolarHBondContact O-CG2 3.25Å; Q194-T198 PolarHBondContact O-N 3.15Å; Q194-T198 PolarHBondContact O-OG1 2.63Å; Q194-E342 PolarHBondContact N-OE1 2.78Å; Q194-E342 PolarHBondContact N-OE2 3.48Å
195	F	91.9	Very high	88.5	Confident	9 Å²	9	40 Å²	40	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-48.3	176.2	174.3	-89.2	0	0	0	111.9	A140 F149 H153 A177 S193 T198 K199 E342 R346	A140-F195 VanDerWaalsContact O-CD2 3.27Å; A140-F195 WeakPolarHBondContact O-CD2 3.37Å; A140-F195 WeakPolarHBondContact O-CE2 3.47Å; F149-F195 HydrophobicContact CD1-CD2 4.46Å; F149-F195 HydrophobicContact CE1-CD2 4.14Å; F149-F195 HydrophobicContact CZ-CB 4.44Å; H153-F195 AromaticContact CE1-CD2 3.51Å; H153-F195 AromaticContact CE1-CE2 3.71Å; A177-F195 HydrophobicContact CB-CE1 4.36Å; S193-F195 PolarHBondContact O-N 2.82Å; F195-T198 PolarHBondContact O-OG1 2.99Å; F195-T198 VanDerWaalsContact O-OG1 3.09Å; F195-K199 HydrophobicContact CD1-CD 4.33Å; F195-K199 HydrophobicContact CE1-CD 3.7Å; F195-K199 HydrophobicContact CE2-CD 4.4Å; F195-K199 HydrophobicContact CZ-CD 3.75Å; F195-K199 WeakPolarHBondContact O-CB 3.44Å; F195-K199 WeakPolarHBondContact O-CG 3.42Å; F195-K199 PolarHBondContact O-N 3.48Å; F195-E342 HydrophobicContact CB-CG 3.97Å; F195-E342 WeakPolarHBondContact CB-OE1 3.34Å; F195-E342 PolarHBondContact N-OE1 2.87Å; F195-R346 HydrophobicContact CD1-CG 4.16Å; F195-R346 VanDerWaalsContact CE2-NH1 3.27Å
196	L	91.6	Very high	89.4	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-71.5	-37.5	-179	-62.3	177.7	0	0	0	111.4	A177 N179 S193 K199 A200 R346 Q349	A177-L196 HydrophobicContact CB-CD2 4.1Å; N179-L196 HydrophobicContact CB-CD1 4.34Å; S193-L196 PolarHBondContact O-N 3.41Å; S193-L196 WeakPolarHBondContact OG-CB 3.33Å; S193-L196 VanDerWaalsContact OG-CD1 3.3Å; S193-L196 WeakPolarHBondContact OG-CD1 3.49Å; S193-L196 WeakPolarHBondContact OG-CG 3.44Å; L196-K199 PolarHBondContact O-N 3.31Å; L196-A200 PolarHBondContact O-N 2.67Å; L196-R346 HydrophobicContact CD1-CG 4.31Å; L196-R346 HydrophobicContact CG-CG 4.15Å; L196-Q349 HydrophobicContact CD1-CG 4.47Å
197	K	93.2	Very high	90.2	Very high	74 Å²	74	34 Å²	34	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-57.9	-53.2	173.2	-178.7	166.8	-173.9	178.4	0	112.1	N181 V182 P184 S193 K199 A200 L201	N181-K197 VanDerWaalsContact O-CA 3.3Å; N181-K197 WeakPolarHBondContact O-CA 3.37Å; V182-K197 WeakPolarHBondContact O-CG 3.32Å; P184-K197 HydrophobicContact CG-CB 3.97Å; S193-K197 PolarHBondContact O-N 3.29Å; K197-K199 VanDerWaalsContact C-N 3.31Å; K197-K199 PolarHBondContact O-N 2.99Å; K197-A200 PolarHBondContact O-N 2.75Å; K197-L201 HydrophobicContact CG-CD1 4.26Å; K197-L201 WeakPolarHBondContact O-CG 3.19Å; K197-L201 PolarHBondContact O-N 3.36Å
198	T	95.6	Very high	91.4	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-31.8	-178	53.5	0	0	0	0	112.3	F149 H150 H153 Q194 F195 L201 G202	F149-T198 HydrophobicContact CB-CG2 3.88Å; H150-T198 HydrophobicContact CB-CG2 4.47Å; H153-T198 PolarHBondContact ND1-OG1 2.91Å; Q194-T198 WeakPolarHBondContact O-CB 3.44Å; Q194-T198 WeakPolarHBondContact O-CG2 3.25Å; Q194-T198 PolarHBondContact O-N 3.15Å; Q194-T198 PolarHBondContact O-OG1 2.63Å; F195-T198 PolarHBondContact O-OG1 2.99Å; F195-T198 VanDerWaalsContact O-OG1 3.09Å; T198-L201 PolarHBondContact O-N 2.9Å; T198-G202 PolarHBondContact O-N 3.15Å
199	K	94.8	Very high	92.3	Very high	33 Å²	33	38.6 Å²	38.6	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-44.3	170.1	-82.6	-164.6	166.7	-169.8	0	112.7	S176 A177 A180 F195 L196 K197 L201 G202 E203	S176-K199 PolarHBondContact O-NZ 3.3Å; A177-K199 HydrophobicContact CB-CD 3.65Å; A180-K199 HydrophobicContact CB-CB 4.22Å; F195-K199 HydrophobicContact CD1-CD 4.33Å; F195-K199 HydrophobicContact CE1-CD 3.7Å; F195-K199 HydrophobicContact CE2-CD 4.4Å; F195-K199 HydrophobicContact CZ-CD 3.75Å; F195-K199 WeakPolarHBondContact O-CB 3.44Å; F195-K199 WeakPolarHBondContact O-CG 3.42Å; F195-K199 PolarHBondContact O-N 3.48Å; L196-K199 PolarHBondContact O-N 3.31Å; K197-K199 VanDerWaalsContact C-N 3.31Å; K197-K199 PolarHBondContact O-N 2.99Å; K199-L201 VanDerWaalsContact C-N 3.33Å; K199-L201 PolarHBondContact O-N 3.3Å; K199-G202 PolarHBondContact O-N 3.38Å; K199-G202 VanDerWaalsContact O-N 3.15Å; K199-E203 WeakPolarHBondContact O-CG 3.18Å; K199-E203 PolarHBondContact O-N 3.35Å
200	A	94.7	Very high	92.9	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.4	0	0	0	0	0	112.4	A180 V182 L196 K197 E203 K204	A180-A200 HydrophobicContact CB-CB 4.13Å; V182-A200 HydrophobicContact CG2-CB 3.78Å; L196-A200 PolarHBondContact O-N 2.67Å; K197-A200 PolarHBondContact O-N 2.75Å; A200-E203 PolarHBondContact O-N 2.91Å; A200-K204 PolarHBondContact O-N 2.81Å
201	L	96.9	Very high	93.5	Very high	51 Å²	51	34.3 Å²	34.3	27%	0.267	17%	0.169	S	C	.	.	H	α-helix	trans	-66.1	-38.4	172.6	-68	175.2	0	0	0	112	V154 V182 K197 T198 K199 K204 A205	V154-L201 HydrophobicContact CG2-CB 3.68Å; V182-L201 HydrophobicContact CG1-CD2 4Å; V182-L201 HydrophobicContact CG2-CD2 4.34Å; K197-L201 HydrophobicContact CG-CD1 4.26Å; K197-L201 WeakPolarHBondContact O-CG 3.19Å; K197-L201 PolarHBondContact O-N 3.36Å; T198-L201 PolarHBondContact O-N 2.9Å; K199-L201 VanDerWaalsContact C-N 3.33Å; K199-L201 PolarHBondContact O-N 3.3Å; L201-K204 PolarHBondContact O-N 3.03Å; L201-A205 WeakPolarHBondContact O-CB 3.06Å; L201-A205 PolarHBondContact O-N 2.63Å
202	G	96.9	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-44.1	174.5	0	0	0	0	0	112.5	H153 T198 K199 K204 A205 V206	H153-G202 WeakPolarHBondContact O-CA 3.28Å; T198-G202 PolarHBondContact O-N 3.15Å; K199-G202 PolarHBondContact O-N 3.38Å; K199-G202 VanDerWaalsContact O-N 3.15Å; G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.18Å; G202-A205 PolarHBondContact O-N 2.93Å; G202-V206 WeakPolarHBondContact O-CG2 3.4Å; G202-V206 PolarHBondContact O-N 3.49Å
203	E	96.5	Very high	94.7	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-45.6	174.1	-71.6	-177.7	-172.1	0	0	112.3	S176 K199 A200 V206 R207 I215 R217	S176-E203 WeakPolarHBondContact CB-OE1 3.05Å; S176-E203 WeakPolarHBondContact OG-CG 3.27Å; S176-E203 PolarHBondContact OG-OE1 3.46Å; K199-E203 WeakPolarHBondContact O-CG 3.18Å; K199-E203 PolarHBondContact O-N 3.35Å; A200-E203 PolarHBondContact O-N 2.91Å; E203-V206 PolarHBondContact O-N 3.19Å; E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 PolarHBondContact O-N 3.41Å; E203-I215 HydrophobicContact CB-CD1 3.92Å; E203-I215 HydrophobicContact CG-CD1 4.16Å; E203-I215 HydrophobicContact CG-CG2 3.84Å; E203-R217 WeakPolarHBondContact OE1-CG 3.38Å; E203-R217 IonicContact OE1-CZ 3.75Å; E203-R217 IonicContact OE1-NE 3.33Å; E203-R217 PolarHBondContact OE1-NE 2.91Å; E203-R217 IonicContact OE1-NH2 2.64Å; E203-R217 IonicContact OE2-CZ 2.92Å; E203-R217 VanDerWaalsContact OE2-CZ 3.31Å; E203-R217 IonicContact OE2-NE 3.74Å; E203-R217 PolarHBondContact OE2-NE 3.03Å; E203-R217 VanDerWaalsContact OE2-NE 3.14Å; E203-R217 IonicContact OE2-NH2 3.22Å; E203-R217 PolarHBondContact OE2-NH2 3.28Å
204	K	96.6	Very high	95.1	Very high	116 Å²	116	36.2 Å²	36.2	50%	0.504	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-47.4	176.1	-70.2	-176.7	178.3	-170.1	0	111.2	V182 A200 L201 G202 V206 R207 E208	V182-K204 HydrophobicContact CG2-CD 4.28Å; A200-K204 PolarHBondContact O-N 2.81Å; L201-K204 PolarHBondContact O-N 3.03Å; G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.18Å; K204-V206 PolarHBondContact O-N 3.26Å; K204-R207 PolarHBondContact O-N 3.37Å; K204-E208 VanDerWaalsContact O-CG 3.3Å; K204-E208 WeakPolarHBondContact O-CG 3.23Å; K204-E208 PolarHBondContact O-N 3.48Å
205	A	97.3	Very high	95.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-38.6	-179.6	0	0	0	0	0	113.1	V154 R158 L201 G202 E209	V154-A205 HydrophobicContact CG1-CB 4.36Å; R158-A205 HydrophobicContact CB-CB 4.15Å; L201-A205 WeakPolarHBondContact O-CB 3.06Å; L201-A205 PolarHBondContact O-N 2.63Å; G202-A205 PolarHBondContact O-N 2.93Å; A205-E209 PolarHBondContact O-N 2.84Å
206	V	97.2	Very high	95.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-42	174.5	171.1	0	0	0	0	110.5	A157 A161 L172 H174 G202 E203 K204 E209 F210 A213	A157-V206 HydrophobicContact CB-CG2 3.71Å; A161-V206 HydrophobicContact CB-CB 4.44Å; A161-V206 HydrophobicContact CB-CG1 4.22Å; A161-V206 HydrophobicContact CB-CG2 4.34Å; L172-V206 HydrophobicContact CD2-CG1 4.23Å; H174-V206 HydrophobicContact CB-CG1 4.11Å; G202-V206 WeakPolarHBondContact O-CG2 3.4Å; G202-V206 PolarHBondContact O-N 3.49Å; E203-V206 PolarHBondContact O-N 3.19Å; K204-V206 PolarHBondContact O-N 3.26Å; V206-E209 PolarHBondContact O-N 2.66Å; V206-F210 PolarHBondContact O-N 2.94Å; V206-A213 HydrophobicContact CG1-CB 3.76Å
207	R	96	Very high	95.8	Very high	82 Å²	82	34.3 Å²	34.3	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	-65.4	-37.2	178.9	-166	70.8	68	128.6	-2.5	112.7	E203 K204 F210 P211 I215 G278 T280	E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 PolarHBondContact O-N 3.41Å; K204-R207 PolarHBondContact O-N 3.37Å; R207-F210 CarbonylContact O-C 3.57Å; R207-P211 WeakPolarHBondContact O-CA 3.3Å; R207-I215 VanDerWaalsContact NH2-CD1 3.34Å; R207-G278 PolarHBondContact NH1-O 3.17Å; R207-T280 PolarHBondContact NH2-OG1 2.95Å
208	E	96	Very high	95.9	Very high	127 Å²	127	31.4 Å²	31.4	59%	0.593	15%	0.151	S	C	*	.	H	α-helix	trans	-62.3	-44.9	175	-75.5	165.7	-176.1	0	0	111.8	R158 K204	R158-E208 IonicContact NH2-OE2 3.87Å; R158-E208 PolarHBondContact NH2-OE2 3.45Å; R158-E208 VanDerWaalsContact NH2-OE2 3.15Å; K204-E208 VanDerWaalsContact O-CG 3.3Å; K204-E208 WeakPolarHBondContact O-CG 3.23Å; K204-E208 PolarHBondContact O-N 3.48Å
209	E	95.7	Very high	95.7	Very high	38 Å²	38	31.4 Å²	31.4	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-81.5	-37.4	-177.3	-68.6	-67.8	-179.2	0	0	113.1	R158 A161 K162 R165 A205 V206	R158-E209 HydrophobicContact CG-CG 3.84Å; A161-E209 HydrophobicContact CB-CB 3.8Å; K162-E209 HydrophobicContact CB-CG 4.3Å; R165-E209 WeakPolarHBondContact CD-O 3.06Å; R165-E209 IonicContact CZ-OE2 3.15Å; R165-E209 PolarHBondContact NH1-O 3.19Å; R165-E209 IonicContact NH1-OE2 3.17Å; R165-E209 PolarHBondContact NH1-OE2 3.04Å; R165-E209 IonicContact NH2-OE2 3.25Å; R165-E209 PolarHBondContact NH2-OE2 2.77Å; A205-E209 PolarHBondContact O-N 2.84Å; V206-E209 PolarHBondContact O-N 2.66Å
210	F	94.1	Very high	95.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.156	C	C	.	.			trans	-133.3	89.5	-177.6	-161.4	-77.9	0	0	0	109.3	I37 A161 R165 V169 L172 V206 R207 N212 A213	I37-F210 HydrophobicContact CD1-CE2 4.31Å; I37-F210 HydrophobicContact CD1-CZ 4.09Å; A161-F210 HydrophobicContact CB-CB 4.27Å; R165-F210 HydrophobicContact CB-CD2 4.11Å; V169-F210 WeakPolarHBondContact O-CZ 3.14Å; L172-F210 HydrophobicContact CB-CD1 4.05Å; L172-F210 HydrophobicContact CB-CE1 3.99Å; L172-F210 HydrophobicContact CB-CG 4.4Å; L172-F210 HydrophobicContact CB-CZ 4.3Å; L172-F210 HydrophobicContact CD2-CB 4Å; L172-F210 HydrophobicContact CD2-CD1 4.31Å; L172-F210 HydrophobicContact CD2-CD2 4.45Å; L172-F210 HydrophobicContact CD2-CG 4.01Å; V206-F210 PolarHBondContact O-N 2.94Å; R207-F210 CarbonylContact O-C 3.57Å; F210-N212 HydrophobicContact CD1-CB 4.19Å; F210-N212 HydrophobicContact CE1-CB 3.73Å; F210-N212 PolarHBondContact O-N 3.25Å; F210-A213 HydrophobicContact CB-CB 4.33Å; F210-A213 HydrophobicContact CD1-CB 3.74Å; F210-A213 VanDerWaalsContact CD1-N 3.32Å; F210-A213 HydrophobicContact CG-CB 4.46Å; F210-A213 WeakPolarHBondContact O-CB 3.48Å; F210-A213 PolarHBondContact O-N 3.31Å; F210-A213 VanDerWaalsContact O-N 3.11Å
211	P	93.5	Very high	95.6	Very high	62 Å²	62	32.8 Å²	32.8	40%	0.403	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.3	-173.3	23.5	-33.7	0	0	0	113.3	R207 A213	R207-P211 WeakPolarHBondContact O-CA 3.3Å; P211-A213 PolarHBondContact O-N 3.41Å
212	N	93.3	Very high	95.5	Very high	67 Å²	67	30.4 Å²	30.4	36%	0.358	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	10.3	179.4	-63.4	-14	0	0	0	113.3	F210 A277 G278	F210-N212 HydrophobicContact CD1-CB 4.19Å; F210-N212 HydrophobicContact CE1-CB 3.73Å; F210-N212 PolarHBondContact O-N 3.25Å; N212-A277 HydrophobicContact CB-CB 4.46Å; N212-G278 VanDerWaalsContact C-N 3.34Å; N212-G278 PolarHBondContact O-N 3.23Å
213	A	96	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.			trans	-74.2	135	-175.3	0	0	0	0	0	109.9	L172 V206 F210 P211 G278	L172-A213 HydrophobicContact CB-CB 4.41Å; L172-A213 HydrophobicContact CD2-CB 4.25Å; L172-A213 HydrophobicContact CG-CB 4.43Å; L172-A213 WeakPolarHBondContact O-CA 3.49Å; V206-A213 HydrophobicContact CG1-CB 3.76Å; F210-A213 HydrophobicContact CB-CB 4.33Å; F210-A213 HydrophobicContact CD1-CB 3.74Å; F210-A213 VanDerWaalsContact CD1-N 3.32Å; F210-A213 HydrophobicContact CG-CB 4.46Å; F210-A213 WeakPolarHBondContact O-CB 3.48Å; F210-A213 PolarHBondContact O-N 3.31Å; F210-A213 VanDerWaalsContact O-N 3.11Å; P211-A213 PolarHBondContact O-N 3.41Å; A213-G278 WeakPolarHBondContact O-CA 3.26Å
214	V	97.1	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.2	172.2	-172.6	0	0	0	0	108.3	L172 V173 H174 I216 T270 T276 E279 F281	L172-V214 PolarHBondContact O-N 3.07Å; V173-V214 WeakPolarHBondContact CA-O 3.38Å; V173-V214 HydrophobicContact CG2-CB 4.18Å; H174-V214 PolarHBondContact N-O 3.23Å; V214-I216 HydrophobicContact CG1-CG1 4.39Å; V214-T270 HydrophobicContact CG1-CG2 4.41Å; V214-T276 WeakPolarHBondContact CG2-O 3.16Å; V214-E279 WeakPolarHBondContact CA-O 3.22Å; V214-F281 HydrophobicContact CG1-CD2 3.67Å; V214-F281 HydrophobicContact CG1-CE2 3.77Å
215	I	97.3	Very high	94.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.1	177.4	-58.4	-171.2	0	0	0	108.7	H174 E203 R207 R217 E279 T280 F281	H174-I215 WeakPolarHBondContact O-CA 3.43Å; E203-I215 HydrophobicContact CB-CD1 3.92Å; E203-I215 HydrophobicContact CG-CD1 4.16Å; E203-I215 HydrophobicContact CG-CG2 3.84Å; R207-I215 VanDerWaalsContact NH2-CD1 3.34Å; I215-R217 HydrophobicContact CG2-CG 4.36Å; I215-E279 PolarHBondContact N-O 2.9Å; I215-T280 HydrophobicContact CB-CG2 4.15Å; I215-T280 HydrophobicContact CG2-CG2 4.19Å; I215-T280 CarbonylContact O-C 3.57Å; I215-T280 VanDerWaalsContact O-CA 3.31Å; I215-T280 WeakPolarHBondContact O-CA 3.47Å; I215-F281 PolarHBondContact O-N 3.22Å
216	I	97.2	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.7	176.4	-60.6	178.5	0	0	0	108.6	V173 H174 F175 S176 V214 P218 T267 F283	V173-I216 HydrophobicContact CG1-CD1 3.45Å; V173-I216 VanDerWaalsContact CG1-CD1 3.45Å; V173-I216 HydrophobicContact CG1-CG1 3.97Å; H174-I216 PolarHBondContact O-N 3.05Å; F175-I216 WeakPolarHBondContact CA-O 3.22Å; F175-I216 HydrophobicContact CD1-CG2 4.48Å; F175-I216 HydrophobicContact CD2-CB 4.33Å; F175-I216 HydrophobicContact CD2-CD1 4.46Å; F175-I216 HydrophobicContact CE1-CG2 4.25Å; F175-I216 HydrophobicContact CE2-CB 4.37Å; F175-I216 HydrophobicContact CE2-CD1 3.82Å; F175-I216 HydrophobicContact CZ-CD1 4.13Å; F175-I216 HydrophobicContact CZ-CG2 4.35Å; S176-I216 PolarHBondContact N-O 3.31Å; V214-I216 HydrophobicContact CG1-CG1 4.39Å; I216-P218 WeakPolarHBondContact O-CD 3.27Å; I216-T267 HydrophobicContact CD1-CG2 4.08Å; I216-F283 HydrophobicContact CB-CE2 4.45Å; I216-F283 HydrophobicContact CD1-CE2 3.88Å; I216-F283 HydrophobicContact CD1-CZ 3.94Å; I216-F283 HydrophobicContact CG1-CE2 4.34Å; I216-F283 HydrophobicContact CG1-CZ 4.24Å; I216-F283 HydrophobicContact CG2-CD1 4.42Å; I216-F283 HydrophobicContact CG2-CD2 3.36Å; I216-F283 HydrophobicContact CG2-CE1 4.38Å; I216-F283 HydrophobicContact CG2-CE2 3.31Å; I216-F283 HydrophobicContact CG2-CG 3.95Å; I216-F283 HydrophobicContact CG2-CZ 3.85Å
217	R	95.9	Very high	93.8	Very high	38 Å²	38	38.2 Å²	38.2	14%	0.143	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	88.2	175.7	-69.7	-173.1	-176.1	158.7	1.2	109.7	A177 E203 I215 T280 F281 E282 F283	A177-R217 WeakPolarHBondContact O-CG 3.36Å; E203-R217 WeakPolarHBondContact OE1-CG 3.38Å; E203-R217 IonicContact OE1-CZ 3.75Å; E203-R217 IonicContact OE1-NE 3.33Å; E203-R217 PolarHBondContact OE1-NE 2.91Å; E203-R217 IonicContact OE1-NH2 2.64Å; E203-R217 IonicContact OE2-CZ 2.92Å; E203-R217 VanDerWaalsContact OE2-CZ 3.31Å; E203-R217 IonicContact OE2-NE 3.74Å; E203-R217 PolarHBondContact OE2-NE 3.03Å; E203-R217 VanDerWaalsContact OE2-NE 3.14Å; E203-R217 IonicContact OE2-NH2 3.22Å; E203-R217 PolarHBondContact OE2-NH2 3.28Å; I215-R217 HydrophobicContact CG2-CG 4.36Å; R217-T280 HydrophobicContact CG-CG2 4.36Å; R217-F281 PolarHBondContact N-O 3.37Å; R217-E282 HydrophobicContact CB-CG 4.12Å; R217-E282 IonicContact NH1-OE1 3.47Å; R217-E282 WeakPolarHBondContact O-CA 3.41Å; R217-F283 PolarHBondContact O-N 3.24Å
218	P	94.7	Very high	93.6	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145.2	175	32.3	-34.7	0	0	0	110.9	F175 S176 L178 I216 I221 F283	F175-P218 HydrophobicContact CD1-CG 4.22Å; S176-P218 WeakPolarHBondContact O-CD 3.48Å; L178-P218 PolarHBondContact N-O 3.02Å; I216-P218 WeakPolarHBondContact O-CD 3.27Å; P218-I221 HydrophobicContact CB-CD1 3.91Å; P218-I221 HydrophobicContact CB-CG1 4.01Å; P218-I221 HydrophobicContact CG-CD1 4.16Å; P218-F283 HydrophobicContact CB-CB 4.49Å
219	A	93	Very high	93.4	Very high	7 Å²	7	28.7 Å²	28.7	6%	0.058	15%	0.15	C	C	.	.			trans	-69.7	-173.8	159.2	0	0	0	0	0	110.5	L178 I221 A256 V258 F283 V284	L178-A219 HydrophobicContact CD2-CB 3.99Å; A219-I221 WeakPolarHBondContact O-CG1 3.37Å; A219-I221 PolarHBondContact O-N 3.03Å; A219-A256 WeakPolarHBondContact CB-O 3.38Å; A219-V258 HydrophobicContact CB-CG2 3.71Å; A219-F283 PolarHBondContact N-O 3.3Å; A219-V284 HydrophobicContact CB-CG2 4.45Å
220	D	92.5	Very high	93.2	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.241	16%	0.156	C	C	.	.	S	Bend	trans	-59.9	113.1	178.1	-72.1	-41.6	0	0	0	110.6	F228 K255 P257 V258	D220-F228 HydrophobicContact CB-CB 4.45Å; D220-F228 HydrophobicContact CB-CD2 3.68Å; D220-F228 HydrophobicContact CB-CE2 4.09Å; D220-F228 HydrophobicContact CB-CG 4.09Å; D220-K255 IonicContact OD2-NZ 3.87Å; D220-K255 PolarHBondContact OD2-NZ 3.02Å; D220-P257 CarbonylContact O-C 3.51Å; D220-P257 WeakPolarHBondContact O-CA 3.44Å; D220-V258 PolarHBondContact O-N 3.35Å
221	I	94.6	Very high	93	Very high	23 Å²	23	29.8 Å²	29.8	12%	0.118	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.8	-176.2	-53.6	176.3	0	0	0	108.9	M72 V73 P218 A219 V258 L260 V263	M72-I221 HydrophobicContact CE-CB 4.11Å; M72-I221 HydrophobicContact CE-CG2 4.03Å; V73-I221 HydrophobicContact CG2-CD1 3.76Å; P218-I221 HydrophobicContact CB-CD1 3.91Å; P218-I221 HydrophobicContact CB-CG1 4.01Å; P218-I221 HydrophobicContact CG-CD1 4.16Å; A219-I221 WeakPolarHBondContact O-CG1 3.37Å; A219-I221 PolarHBondContact O-N 3.03Å; I221-V258 WeakPolarHBondContact CA-O 3.42Å; I221-L260 HydrophobicContact CG2-CB 3.73Å; I221-L260 HydrophobicContact CG2-CD1 3.87Å; I221-L260 HydrophobicContact CG2-CG 4.39Å; I221-V263 HydrophobicContact CD1-CG1 4.2Å; I221-V263 HydrophobicContact CD1-CG2 4.21Å; I221-V263 HydrophobicContact CG1-CG2 4.19Å
222	Y	94.5	Very high	92.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.6	172.6	73.5	-78.4	0	0	0	112.2	D226 I229 P257 V258 W259 L260 P389 F390 K393	Y222-D226 VanDerWaalsContact CA-OD2 3.26Å; Y222-D226 WeakPolarHBondContact CA-OD2 3.33Å; Y222-D226 VanDerWaalsContact CB-OD2 3.27Å; Y222-D226 WeakPolarHBondContact CB-OD2 3.21Å; Y222-I229 HydrophobicContact CD2-CD1 4.25Å; Y222-P257 HydrophobicContact CD1-CB 3.84Å; Y222-P257 HydrophobicContact CE1-CB 4.28Å; Y222-V258 WeakPolarHBondContact CD1-O 3.11Å; Y222-V258 PolarHBondContact N-O 2.97Å; Y222-W259 AromaticContact CD2-CE3 3.45Å; Y222-W259 HydrophobicContact CD2-CE3 3.45Å; Y222-W259 VanDerWaalsContact CD2-CE3 3.45Å; Y222-W259 AromaticContact CD2-CZ3 3.69Å; Y222-W259 HydrophobicContact CD2-CZ3 3.69Å; Y222-W259 HydrophobicContact CE1-CB 4.02Å; Y222-W259 HydrophobicContact CE1-CE3 4.42Å; Y222-W259 HydrophobicContact CE2-CD2 4.15Å; Y222-W259 AromaticContact CE2-CE3 3.22Å; Y222-W259 HydrophobicContact CE2-CE3 3.22Å; Y222-W259 AromaticContact CE2-CZ3 3.69Å; Y222-W259 HydrophobicContact CE2-CZ3 3.69Å; Y222-W259 HydrophobicContact CG-CE3 4.14Å; Y222-W259 AromaticContact CZ-CE3 3.73Å; Y222-L260 PolarHBondContact O-N 3.31Å; Y222-P389 PolarHBondContact OH-O 3.09Å; Y222-F390 AromaticContact CD1-CD2 3.79Å; Y222-F390 HydrophobicContact CD1-CD2 3.79Å; Y222-F390 HydrophobicContact CD1-CE2 4.09Å; Y222-F390 AromaticContact CD2-CD2 3.86Å; Y222-F390 HydrophobicContact CD2-CD2 3.86Å; Y222-F390 AromaticContact CD2-CE2 3.8Å; Y222-F390 HydrophobicContact CD2-CE2 3.8Å; Y222-F390 AromaticContact CE1-CD2 3.69Å; Y222-F390 HydrophobicContact CE1-CD2 3.69Å; Y222-F390 HydrophobicContact CE1-CE2 4.42Å; Y222-F390 AromaticContact CE2-CD2 3.76Å; Y222-F390 HydrophobicContact CE2-CD2 3.76Å; Y222-F390 HydrophobicContact CE2-CE2 4.15Å; Y222-F390 AromaticContact CG-CD2 3.89Å; Y222-F390 HydrophobicContact CG-CD2 3.89Å; Y222-F390 AromaticContact CG-CE2 3.79Å; Y222-F390 HydrophobicContact CG-CE2 3.79Å; Y222-F390 AromaticContact CZ-CD2 3.71Å; Y222-F390 WeakPolarHBondContact OH-CA 3.26Å; Y222-K393 HydrophobicContact CE2-CB 3.95Å
223	C	93.3	Very high	92.7	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.034	12%	0.122	C	C	.	.			trans	-165.3	170.6	178.3	72.5	0	0	0	0	109.8	M72 N225 D226 W259 L260	M72-C223 VanDerWaalsContact CG-SG 3.52Å; M72-C223 PolarHBondContact SD-SG 3.44Å; C223-N225 PolarHBondContact O-N 3.41Å; C223-D226 WeakPolarHBondContact O-CB 3.21Å; C223-D226 PolarHBondContact O-N 2.87Å; C223-W259 HydrophobicContact CB-CZ3 4.4Å; C223-L260 HydrophobicContact CB-CB 3.71Å; C223-L260 HydrophobicContact CB-CD2 3.7Å; C223-L260 HydrophobicContact CB-CG 4.36Å
224	P	89.7	Confident	92.4	Very high	66 Å²	66	25 Å²	25	43%	0.429	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	126.7	166.1	-21.8	34.8	0	0	0	108.9
225	N	84.8	Confident	91.8	Very high	127 Å²	127	31.6 Å²	31.6	68%	0.679	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	34.3	-172.9	-55.9	-35.9	0	0	0	115.8	C223	C223-N225 PolarHBondContact O-N 3.41Å
226	D	91.6	Very high	91.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.19	C	C	.	.			trans	-68.7	177.4	169.9	72.1	-5.9	0	0	0	113.6	M72 Y222 C223 I229 N230	M72-D226 HydrophobicContact SD-CB 4.07Å; Y222-D226 VanDerWaalsContact CA-OD2 3.26Å; Y222-D226 WeakPolarHBondContact CA-OD2 3.33Å; Y222-D226 VanDerWaalsContact CB-OD2 3.27Å; Y222-D226 WeakPolarHBondContact CB-OD2 3.21Å; C223-D226 WeakPolarHBondContact O-CB 3.21Å; C223-D226 PolarHBondContact O-N 2.87Å; D226-I229 VanDerWaalsContact CG-N 3.32Å; D226-I229 VanDerWaalsContact OD1-CB 3.27Å; D226-I229 WeakPolarHBondContact OD1-CB 3.35Å; D226-I229 PolarHBondContact OD1-N 3.32Å; D226-I229 VanDerWaalsContact OD1-N 3.08Å; D226-I229 WeakPolarHBondContact OD2-CG1 3.18Å; D226-I229 PolarHBondContact OD2-N 2.88Å; D226-N230 WeakPolarHBondContact O-CB 3.3Å; D226-N230 PolarHBondContact OD1-N 3.05Å
227	R	89.3	Confident	90.6	Very high	97 Å²	97	37.2 Å²	37.2	37%	0.366	19%	0.191	S	C	.	.	S	Bend	trans	-92.9	-30.4	168.3	-65.7	-162	-79.5	-129.1	5.6	112.1	D141 V231	D141-R227 VanDerWaalsContact CG-CZ 3.5Å; D141-R227 IonicContact OD1-CZ 3.44Å; D141-R227 IonicContact OD1-NH2 3.83Å; D141-R227 PolarHBondContact OD1-NH2 2.82Å; D141-R227 WeakPolarHBondContact OD2-CD 3.48Å; D141-R227 IonicContact OD2-CZ 2.76Å; D141-R227 IonicContact OD2-NE 2.9Å; D141-R227 PolarHBondContact OD2-NE 2.86Å; D141-R227 IonicContact OD2-NH2 3.76Å; D141-R227 PolarHBondContact OD2-NH2 2.87Å; R227-V231 VanDerWaalsContact O-CB 3.27Å; R227-V231 WeakPolarHBondContact O-CB 3.47Å; R227-V231 WeakPolarHBondContact O-CG2 3.5Å; R227-V231 PolarHBondContact O-N 2.94Å
228	F	90.9	Very high	90	Very high	7 Å²	7	36.8 Å²	36.8	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-59.9	-176.3	176.8	-106.3	0	0	0	112.3	D220 F232 P257 L294 F390	D220-F228 HydrophobicContact CB-CB 4.45Å; D220-F228 HydrophobicContact CB-CD2 3.68Å; D220-F228 HydrophobicContact CB-CE2 4.09Å; D220-F228 HydrophobicContact CB-CG 4.09Å; F228-F232 HydrophobicContact CD2-CE2 4.04Å; F228-F232 AromaticContact CE2-CE2 3.76Å; F228-F232 HydrophobicContact CE2-CE2 3.76Å; F228-F232 HydrophobicContact CZ-CE2 4.16Å; F228-F232 WeakPolarHBondContact O-CD2 3.47Å; F228-P257 HydrophobicContact CE1-CB 4.11Å; F228-P257 HydrophobicContact CE1-CG 4.48Å; F228-L294 HydrophobicContact CE1-CD2 4.14Å; F228-L294 HydrophobicContact CZ-CD2 3.92Å; F228-F390 HydrophobicContact CE1-CE2 4.27Å
229	I	92.6	Very high	89.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-44.1	178.8	-63	168.3	0	0	0	110.6	Y222 D226 V231 F232 M233 M298 F390 A397 L398 Y401	Y222-I229 HydrophobicContact CD2-CD1 4.25Å; D226-I229 VanDerWaalsContact CG-N 3.32Å; D226-I229 VanDerWaalsContact OD1-CB 3.27Å; D226-I229 WeakPolarHBondContact OD1-CB 3.35Å; D226-I229 PolarHBondContact OD1-N 3.32Å; D226-I229 VanDerWaalsContact OD1-N 3.08Å; D226-I229 WeakPolarHBondContact OD2-CG1 3.18Å; D226-I229 PolarHBondContact OD2-N 2.88Å; I229-V231 VanDerWaalsContact C-N 3.29Å; I229-V231 PolarHBondContact O-N 3.32Å; I229-F232 PolarHBondContact O-N 3.44Å; I229-M233 HydrophobicContact CG2-CG 3.78Å; I229-M233 PolarHBondContact O-N 3.39Å; I229-M298 HydrophobicContact CG1-SD 4.24Å; I229-M298 HydrophobicContact CG2-SD 4.18Å; I229-F390 HydrophobicContact CD1-CE2 4.15Å; I229-F390 HydrophobicContact CD1-CZ 4.16Å; I229-F390 HydrophobicContact CG1-CE2 4.34Å; I229-F390 HydrophobicContact CG1-CZ 4.22Å; I229-A397 HydrophobicContact CD1-CB 3.87Å; I229-L398 HydrophobicContact CG2-CD2 3.45Å; I229-L398 VanDerWaalsContact CG2-CD2 3.45Å; I229-L398 HydrophobicContact CG2-CG 4.31Å; I229-Y401 HydrophobicContact CG2-CE2 4.2Å
230	N	91.6	Very high	88.4	Confident	55 Å²	55	43.3 Å²	43.3	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-55.8	-42.8	-179.3	-171.3	-8.5	0	0	0	112.2	D226 F232 M233 N234 Y401	D226-N230 WeakPolarHBondContact O-CB 3.3Å; D226-N230 PolarHBondContact OD1-N 3.05Å; N230-F232 PolarHBondContact O-N 2.93Å; N230-M233 PolarHBondContact O-N 2.74Å; N230-N234 VanDerWaalsContact O-CB 3.24Å; N230-N234 WeakPolarHBondContact O-CB 3.27Å; N230-N234 PolarHBondContact O-N 3.28Å; N230-Y401 WeakPolarHBondContact CA-OH 3.13Å; N230-Y401 WeakPolarHBondContact CB-OH 3.2Å; N230-Y401 VanDerWaalsContact CG-OH 3.23Å; N230-Y401 PolarHBondContact OD1-OH 3.1Å
231	V	89.9	Confident	87.5	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-29.7	179.1	169.9	0	0	0	0	112.2	R227 I229 R237 T338 W339 Y343	R227-V231 VanDerWaalsContact O-CB 3.27Å; R227-V231 WeakPolarHBondContact O-CB 3.47Å; R227-V231 WeakPolarHBondContact O-CG2 3.5Å; R227-V231 PolarHBondContact O-N 2.94Å; I229-V231 VanDerWaalsContact C-N 3.29Å; I229-V231 PolarHBondContact O-N 3.32Å; V231-R237 WeakPolarHBondContact O-CD 3.39Å; V231-R237 PolarHBondContact O-NH1 3.28Å; V231-T338 WeakPolarHBondContact CG2-O 3.3Å; V231-W339 HydrophobicContact CG1-CB 4.19Å; V231-Y343 HydrophobicContact CB-CE1 4.02Å; V231-Y343 HydrophobicContact CB-CE2 4.27Å; V231-Y343 HydrophobicContact CG1-CD1 3.72Å; V231-Y343 HydrophobicContact CG1-CE1 3.22Å; V231-Y343 HydrophobicContact CG1-CE2 4.23Å; V231-Y343 HydrophobicContact CG1-CG 4.39Å; V231-Y343 HydrophobicContact CG2-CD2 4.24Å; V231-Y343 HydrophobicContact CG2-CE1 4.35Å; V231-Y343 HydrophobicContact CG2-CE2 3.87Å
232	F	90.6	Very high	86.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-87.3	-34.7	174.8	-61.8	-74.1	0	0	0	113.3	F228 I229 N230 R237 I244 L246 L291 V295 M298	F228-F232 HydrophobicContact CD2-CE2 4.04Å; F228-F232 AromaticContact CE2-CE2 3.76Å; F228-F232 HydrophobicContact CE2-CE2 3.76Å; F228-F232 HydrophobicContact CZ-CE2 4.16Å; F228-F232 WeakPolarHBondContact O-CD2 3.47Å; I229-F232 PolarHBondContact O-N 3.44Å; N230-F232 PolarHBondContact O-N 2.93Å; F232-R237 VanDerWaalsContact CE1-NH1 3.26Å; F232-I244 WeakPolarHBondContact O-CD1 3.26Å; F232-L246 HydrophobicContact CD1-CD2 4.1Å; F232-L246 HydrophobicContact CE1-CD2 3.74Å; F232-L291 HydrophobicContact CE1-CD1 4.2Å; F232-L291 HydrophobicContact CE1-CD2 4.35Å; F232-L291 HydrophobicContact CE2-CD1 4.16Å; F232-L291 HydrophobicContact CZ-CD1 3.69Å; F232-L291 HydrophobicContact CZ-CD2 4.23Å; F232-L291 HydrophobicContact CZ-CG 4.42Å; F232-V295 HydrophobicContact CB-CG2 4.44Å; F232-V295 HydrophobicContact CD1-CG2 3.64Å; F232-V295 HydrophobicContact CD2-CG2 4.47Å; F232-V295 HydrophobicContact CE1-CG2 3.99Å; F232-V295 HydrophobicContact CG-CG2 3.94Å; F232-M298 HydrophobicContact CB-CE 4.03Å; F232-M298 HydrophobicContact CD2-CE 4.12Å; F232-M298 HydrophobicContact CG-CE 4.21Å
233	M	90.4	Very high	86.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-84.5	-15	-177.2	-64.5	-56.6	113.8	0	0	114.2	I229 N230 M235 R238 M298 F299 N302 L398 Y401	I229-M233 HydrophobicContact CG2-CG 3.78Å; I229-M233 PolarHBondContact O-N 3.39Å; N230-M233 PolarHBondContact O-N 2.74Å; M233-M235 PolarHBondContact O-N 3.22Å; M233-R238 PolarHBondContact O-NH2 3.21Å; M233-M298 HydrophobicContact CE-CB 3.39Å; M233-M298 HydrophobicContact CE-CE 3.96Å; M233-M298 HydrophobicContact CE-CG 4.28Å; M233-M298 HydrophobicContact CE-SD 4.01Å; M233-M298 HydrophobicContact SD-CB 4.23Å; M233-F299 HydrophobicContact CE-CD2 3.59Å; M233-F299 HydrophobicContact CE-CE2 3.27Å; M233-F299 HydrophobicContact CE-CZ 4.19Å; M233-F299 HydrophobicContact SD-CD2 4.3Å; M233-F299 HydrophobicContact SD-CE2 3.9Å; M233-F299 HydrophobicContact SD-CZ 4.3Å; M233-N302 PolarHBondContact SD-ND2 3.36Å; M233-L398 HydrophobicContact CG-CD2 4.04Å; M233-L398 HydrophobicContact SD-CD2 4.3Å; M233-Y401 HydrophobicContact CB-CD1 3.55Å; M233-Y401 HydrophobicContact CB-CD2 3.84Å; M233-Y401 HydrophobicContact CB-CE1 3.78Å; M233-Y401 HydrophobicContact CB-CE2 4.06Å; M233-Y401 HydrophobicContact CB-CG 3.58Å; M233-Y401 HydrophobicContact CG-CD1 4.45Å; M233-Y401 HydrophobicContact CG-CD2 3.92Å; M233-Y401 HydrophobicContact CG-CE2 4.34Å; M233-Y401 HydrophobicContact CG-CG 3.98Å
234	N	88.4	Confident	86.1	Confident	27 Å²	27	50.1 Å²	50.1	14%	0.144	24%	0.238	C	C	.	.			trans	-57.5	131.5	-177.3	-164.6	-44.3	0	0	0	112.1	N230 L236 R237 T338	N230-N234 VanDerWaalsContact O-CB 3.24Å; N230-N234 WeakPolarHBondContact O-CB 3.27Å; N230-N234 PolarHBondContact O-N 3.28Å; N234-L236 VanDerWaalsContact C-N 3.3Å; N234-L236 PolarHBondContact O-N 3.43Å; N234-L236 PolarHBondContact OD1-N 3.4Å; N234-R237 PolarHBondContact O-N 3.01Å; N234-T338 WeakPolarHBondContact ND2-CG2 3.49Å
235	M	86.3	Confident	85.9	Confident	139 Å²	139	47 Å²	47	69%	0.685	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-58.8	-39.3	179.2	-165.5	-177.2	-138.9	0	0	113.2	M233 R237 R238	M233-M235 PolarHBondContact O-N 3.22Å; M235-R237 PolarHBondContact O-N 3.11Å; M235-R238 WeakPolarHBondContact O-CB 3.45Å; M235-R238 PolarHBondContact O-N 2.82Å
236	L	84.5	Confident	86	Confident	116 Å²	116	41 Å²	41	61%	0.607	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-67	-25.4	-175.4	-65.7	175.5	0	0	0	112.7	N234 T338 W339	N234-L236 VanDerWaalsContact C-N 3.3Å; N234-L236 PolarHBondContact O-N 3.43Å; N234-L236 PolarHBondContact OD1-N 3.4Å; L236-T338 HydrophobicContact CD1-CG2 4.45Å; L236-W339 HydrophobicContact CB-CH2 3.71Å; L236-W339 HydrophobicContact CB-CZ3 3.61Å; L236-W339 WeakPolarHBondContact O-CH2 3.18Å
237	R	84.2	Confident	85.5	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.015	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-80.1	-22.3	-179.7	-167.3	-178.1	169	-171.3	-5.4	112.8	V231 F232 N234 M235 Q239 G245 F319 W339	V231-R237 WeakPolarHBondContact O-CD 3.39Å; V231-R237 PolarHBondContact O-NH1 3.28Å; F232-R237 VanDerWaalsContact CE1-NH1 3.26Å; N234-R237 PolarHBondContact O-N 3.01Å; M235-R237 PolarHBondContact O-N 3.11Å; R237-Q239 PolarHBondContact O-NE2 2.84Å; R237-G245 PolarHBondContact NH2-O 2.97Å; R237-G245 VanDerWaalsContact NH2-O 3.17Å; R237-F319 HydrophobicContact CG-CE2 4.47Å; R237-W339 HydrophobicContact CB-CD2 4.27Å; R237-W339 HydrophobicContact CB-CE3 3.72Å; R237-W339 HydrophobicContact CB-CH2 4.21Å; R237-W339 HydrophobicContact CB-CZ3 3.69Å; R237-W339 HydrophobicContact CG-CD2 4.15Å; R237-W339 HydrophobicContact CG-CE3 4.1Å; R237-W339 HydrophobicContact CG-CZ3 4.42Å; R237-W339 VanDerWaalsContact N-CZ3 3.35Å
238	R	83.5	Confident	85.3	Confident	28 Å²	28	39.3 Å²	39.3	11%	0.106	19%	0.186	C	C	.	.			trans	-62.3	141.3	-179.9	-69.2	-179.7	-113.9	170.4	0.4	110.5	M233 M235 R304 K322	M233-R238 PolarHBondContact O-NH2 3.21Å; M235-R238 WeakPolarHBondContact O-CB 3.45Å; M235-R238 PolarHBondContact O-N 2.82Å; R238-R304 VanDerWaalsContact NH1-CZ 3.34Å; R238-R304 VanDerWaalsContact NH2-NH1 3.17Å; R238-K322 PolarHBondContact O-NZ 3.06Å
239	Q	80.3	Confident	85	Confident	15 Å²	15	43.7 Å²	43.7	7%	0.07	21%	0.206	C	C	.	.			trans	-87.8	-151.2	176	-57.6	-52.6	-29.9	0	0	110.2	R237 Y241 A243 L318	R237-Q239 PolarHBondContact O-NE2 2.84Å; Q239-Y241 PolarHBondContact O-N 3Å; Q239-A243 HydrophobicContact CB-CB 4.17Å; Q239-A243 PolarHBondContact N-O 2.89Å; Q239-L318 VanDerWaalsContact OE1-CG 3.24Å
240	F	72.9	Confident	84.6	Confident	143 Å²	143	43.6 Å²	43.6	63%	0.627	21%	0.205	S	C	*	.	S	Bend	trans	-64.6	130.7	176.6	-159.3	-112.8	0	0	0	109.2	A243	F240-A243 WeakPolarHBondContact O-CB 3.44Å; F240-A243 PolarHBondContact O-N 2.81Å
241	Y	74.3	Confident	84.2	Confident	157 Å²	157	45.1 Å²	45.1	62%	0.616	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-128.2	-166	-67.8	-89.2	0	0	0	113.7	Q239	Q239-Y241 PolarHBondContact O-N 3Å
242	F	79	Confident	83.8	Confident	56 Å²	56	46.1 Å²	46.1	25%	0.246	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	20.7	-179.7	-62.9	-70.9	0	0	0	111.7	R304 H308 F310	F242-R304 HydrophobicContact CD1-CG 4.39Å; F242-R304 HydrophobicContact CE1-CG 4.17Å; F242-H308 VanDerWaalsContact CD2-O 3.26Å; F242-H308 WeakPolarHBondContact CD2-O 3.2Å; F242-F310 HydrophobicContact CB-CB 4.48Å; F242-F310 WeakPolarHBondContact O-CD2 3.36Å
243	A	84.9	Confident	83.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	22%	0.215	C	C	.	.			trans	-71.8	141.2	179.4	0	0	0	0	0	112.1	Q239 F240 R311 E313	Q239-A243 HydrophobicContact CB-CB 4.17Å; Q239-A243 PolarHBondContact N-O 2.89Å; F240-A243 WeakPolarHBondContact O-CB 3.44Å; F240-A243 PolarHBondContact O-N 2.81Å; A243-R311 WeakPolarHBondContact CA-O 3.5Å; A243-R311 HydrophobicContact CB-CB 4.38Å; A243-E313 VanDerWaalsContact CB-CD 3.47Å; A243-E313 HydrophobicContact CB-CG 3.95Å; A243-E313 WeakPolarHBondContact CB-OE1 3.06Å
244	I	88.9	Confident	83.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.2	174.9	-69.3	-167	0	0	0	110.6	F232 L246 V295 F299 F310 R311 E313	F232-I244 WeakPolarHBondContact O-CD1 3.26Å; I244-L246 HydrophobicContact CG2-CD2 3.87Å; I244-L246 HydrophobicContact CG2-CG 4Å; I244-L246 PolarHBondContact O-N 3.03Å; I244-V295 HydrophobicContact CD1-CG1 4.08Å; I244-F299 HydrophobicContact CD1-CD2 4.07Å; I244-F299 HydrophobicContact CD1-CE1 4.35Å; I244-F299 HydrophobicContact CD1-CE2 3.04Å; I244-F299 HydrophobicContact CD1-CZ 3.24Å; I244-F299 HydrophobicContact CG1-CE2 4.11Å; I244-F299 HydrophobicContact CG1-CZ 4.01Å; I244-F310 HydrophobicContact CD1-CE2 4.49Å; I244-F310 HydrophobicContact CG1-CE2 4.35Å; I244-R311 PolarHBondContact N-O 3.18Å; I244-R311 VanDerWaalsContact N-O 3.15Å; I244-E313 PolarHBondContact O-N 3.45Å
245	G	85	Confident	83.7	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.4	167.6	0	0	0	0	0	111.5	R237 E313 Y315	R237-G245 PolarHBondContact NH2-O 2.97Å; R237-G245 VanDerWaalsContact NH2-O 3.17Å; G245-E313 CarbonylContact C-O 3.56Å; G245-E313 VanDerWaalsContact CA-O 3.31Å; G245-E313 WeakPolarHBondContact CA-O 3.34Å; G245-Y315 VanDerWaalsContact C-CE1 3.48Å; G245-Y315 VanDerWaalsContact O-CE1 3.29Å; G245-Y315 WeakPolarHBondContact O-CE1 3.37Å
246	L	86.6	Confident	83.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.18	C	C	.	.			trans	-126	144.7	169.9	-60.2	177.3	0	0	0	108.7	F232 I244 A248 F249 L291 V295 E313 G314	F232-L246 HydrophobicContact CD1-CD2 4.1Å; F232-L246 HydrophobicContact CE1-CD2 3.74Å; I244-L246 HydrophobicContact CG2-CD2 3.87Å; I244-L246 HydrophobicContact CG2-CG 4Å; I244-L246 PolarHBondContact O-N 3.03Å; L246-A248 PolarHBondContact O-N 2.89Å; L246-F249 PolarHBondContact O-N 2.9Å; L246-L291 HydrophobicContact CD2-CD2 4.29Å; L246-V295 HydrophobicContact CD1-CB 4.26Å; L246-V295 HydrophobicContact CD1-CG1 4.46Å; L246-V295 HydrophobicContact CD1-CG2 4.31Å; L246-V295 HydrophobicContact CD2-CG2 4.28Å; L246-E313 PolarHBondContact N-O 3.42Å; L246-G314 WeakPolarHBondContact O-CA 2.99Å
247	H	82.5	Confident	84.4	Confident	39 Å²	39	34 Å²	34	18%	0.181	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.4	134	170.6	-179.8	75.8	0	0	0	110.4	Y188 F249 G250 E252 Y315 V348 I350	Y188-H247 AromaticContact CZ-ND1 3.9Å; Y188-H247 PolarHBondContact OH-CE1 3.41Å; Y188-H247 PolarHBondContact OH-ND1 3.42Å; H247-F249 PolarHBondContact O-N 3.33Å; H247-G250 WeakPolarHBondContact O-CA 3.09Å; H247-G250 PolarHBondContact O-N 3.07Å; H247-E252 IonicContact NE2-OE2 3.14Å; H247-Y315 HydrophobicContact CB-CD2 4.13Å; H247-Y315 HydrophobicContact CB-CE2 3.54Å; H247-V348 HydrophobicContact CB-CB 4.26Å; H247-V348 HydrophobicContact CB-CG1 3.71Å; H247-V348 HydrophobicContact CB-CG2 3.43Å; H247-V348 VanDerWaalsContact CB-CG2 3.43Å; H247-V348 VanDerWaalsContact CG-CG1 3.41Å; H247-I350 WeakPolarHBondContact CD2-CD1 3.43Å; H247-I350 WeakPolarHBondContact NE2-CD1 3.34Å
248	A	83.4	Confident	84.9	Confident	26 Å²	26	33.8 Å²	33.8	22%	0.215	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	44.6	40.1	-178.2	0	0	0	0	0	113	L246 G250 E251 E252	L246-A248 PolarHBondContact O-N 2.89Å; A248-G250 PolarHBondContact O-N 3.12Å; A248-E251 PolarHBondContact O-N 3.21Å; A248-E252 HydrophobicContact CB-CB 4.03Å; A248-E252 VanDerWaalsContact CB-CD 3.47Å; A248-E252 HydrophobicContact CB-CG 3.94Å; A248-E252 WeakPolarHBondContact CB-OE2 3.33Å
249	F	84.8	Confident	85.5	Confident	99 Å²	99	34 Å²	34	43%	0.434	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	57.3	13.7	-176.4	-54.3	-86.7	0	0	0	115.4	L246 H247 E251 R312	L246-F249 PolarHBondContact O-N 2.9Å; H247-F249 PolarHBondContact O-N 3.33Å; F249-E251 VanDerWaalsContact C-N 3.27Å; F249-E251 HydrophobicContact CB-CG 4.33Å; F249-R312 HydrophobicContact CB-CB 4.45Å; F249-R312 HydrophobicContact CD1-CB 4.16Å; F249-R312 WeakPolarHBondContact CD1-O 3.37Å; F249-R312 PolarHBondContact O-NH1 3.13Å
250	G	84.2	Confident	86.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	75.4	11.3	-175.4	0	0	0	0	0	114.2	H247 A248 T253 Q290 L291 G292	H247-G250 WeakPolarHBondContact O-CA 3.09Å; H247-G250 PolarHBondContact O-N 3.07Å; A248-G250 PolarHBondContact O-N 3.12Å; G250-T253 WeakPolarHBondContact CA-OG1 3.19Å; G250-T253 PolarHBondContact O-OG1 2.97Å; G250-Q290 WeakPolarHBondContact O-CG 3.44Å; G250-L291 PolarHBondContact O-N 3Å; G250-G292 PolarHBondContact O-N 2.93Å
251	E	84.4	Confident	87.3	Confident	86 Å²	86	29 Å²	29	40%	0.402	14%	0.135	S	C	.	.	S	Bend	trans	-80.3	-29	-176.1	-64.4	-178.2	175.7	0	0	112.2	A248 F249 Q290 R312	A248-E251 PolarHBondContact O-N 3.21Å; F249-E251 VanDerWaalsContact C-N 3.27Å; F249-E251 HydrophobicContact CB-CG 4.33Å; E251-Q290 PolarHBondContact O-NE2 3.05Å; E251-R312 VanDerWaalsContact CG-NH1 3.34Å; E251-R312 IonicContact OE1-CZ 2.64Å; E251-R312 IonicContact OE1-NH1 3.42Å; E251-R312 PolarHBondContact OE1-NH1 3.08Å; E251-R312 IonicContact OE1-NH2 3.51Å; E251-R312 PolarHBondContact OE1-NH2 3.07Å; E251-R312 VanDerWaalsContact OE1-NH2 3.17Å
252	E	81.3	Confident	88.3	Confident	29 Å²	29	22 Å²	22	14%	0.136	11%	0.108	C	C	.	.	S	Bend	trans	-89.7	-17.2	-179	-76	178.9	-163.7	0	0	112.5	H247 A248 I350 T369	H247-E252 IonicContact NE2-OE2 3.14Å; A248-E252 HydrophobicContact CB-CB 4.03Å; A248-E252 VanDerWaalsContact CB-CD 3.47Å; A248-E252 HydrophobicContact CB-CG 3.94Å; A248-E252 WeakPolarHBondContact CB-OE2 3.33Å; E252-I350 HydrophobicContact CB-CD1 4.12Å; E252-T369 HydrophobicContact CB-CG2 3.6Å; E252-T369 HydrophobicContact CG-CG2 3.68Å; E252-T369 CarbonylContact O-C 3.09Å; E252-T369 VanDerWaalsContact O-C 3.29Å; E252-T369 WeakPolarHBondContact O-CB 3.34Å; E252-T369 PolarHBondContact O-OG1 3.06Å; E252-T369 WeakPolarHBondContact OE2-CG2 3.34Å
253	T	85.5	Confident	89.2	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.096	C	C	.	.			trans	-101	126.8	-175.2	51.5	0	0	0	0	111.3	G250 L291 V348 I350	G250-T253 WeakPolarHBondContact CA-OG1 3.19Å; G250-T253 PolarHBondContact O-OG1 2.97Å; T253-L291 WeakPolarHBondContact O-CB 3.49Å; T253-L291 PolarHBondContact O-N 3.43Å; T253-L291 WeakPolarHBondContact OG1-CB 3.37Å; T253-L291 WeakPolarHBondContact OG1-CD2 3.2Å; T253-V348 HydrophobicContact CG2-CG2 4.49Å; T253-I350 HydrophobicContact CG2-CD1 4.01Å
254	Y	89.8	Confident	89.7	Confident	21 Å²	21	19.3 Å²	19.3	8%	0.082	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.8	179	-70.4	-94.3	0	0	0	111.3	Y289 Q290 S371 D372 Y423 M426 P433	Y254-Y289 CarbonylContact C-O 3.6Å; Y254-Y289 WeakPolarHBondContact CA-O 3.32Å; Y254-Q290 HydrophobicContact CD1-CB 4.1Å; Y254-Q290 HydrophobicContact CE1-CB 3.77Å; Y254-Q290 HydrophobicContact CE1-CG 4.13Å; Y254-S371 PolarHBondContact N-OG 3.06Å; Y254-S371 PolarHBondContact O-OG 3.46Å; Y254-D372 PolarHBondContact O-N 3.08Å; Y254-Y423 HydrophobicContact CD1-CD2 4.19Å; Y254-Y423 HydrophobicContact CD1-CG 4.39Å; Y254-Y423 HydrophobicContact CE1-CD1 4.12Å; Y254-Y423 AromaticContact CE1-CD2 3.84Å; Y254-Y423 HydrophobicContact CE1-CD2 3.84Å; Y254-Y423 HydrophobicContact CE1-CE1 4.06Å; Y254-Y423 AromaticContact CE1-CE2 3.8Å; Y254-Y423 HydrophobicContact CE1-CE2 3.8Å; Y254-Y423 AromaticContact CE1-CG 4Å; Y254-Y423 HydrophobicContact CE1-CG 4Å; Y254-Y423 AromaticContact CE1-CZ 3.91Å; Y254-M426 HydrophobicContact CD1-CE 3.67Å; Y254-M426 HydrophobicContact CD2-CE 3.68Å; Y254-M426 HydrophobicContact CE1-CE 4.45Å; Y254-M426 HydrophobicContact CE2-CE 4.47Å; Y254-M426 HydrophobicContact CG-CE 3.23Å; Y254-P433 HydrophobicContact CD1-CB 4.49Å; Y254-P433 HydrophobicContact CE1-CB 3.92Å; Y254-P433 HydrophobicContact CE1-CG 4.05Å; Y254-P433 HydrophobicContact CE2-CB 4.44Å; Y254-P433 HydrophobicContact CE2-CG 3.92Å; Y254-P433 VanDerWaalsContact OH-CG 3.29Å; Y254-P433 WeakPolarHBondContact OH-CG 3.16Å
255	K	90.5	Very high	90.1	Very high	3 Å²	3	21 Å²	21	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.1	-174.5	-69.9	-62.6	-170.6	166.5	0	111.4	D220 P257 Y289 L291 R346 D372	D220-K255 IonicContact OD2-NZ 3.87Å; D220-K255 PolarHBondContact OD2-NZ 3.02Å; K255-P257 VanDerWaalsContact C-CD 3.43Å; K255-P257 WeakPolarHBondContact O-CD 3.49Å; K255-Y289 PolarHBondContact N-O 3.44Å; K255-Y289 PolarHBondContact O-N 3.43Å; K255-L291 HydrophobicContact CG-CD1 4.48Å; K255-R346 PolarHBondContact NZ-O 3.25Å; K255-D372 WeakPolarHBondContact CA-OD2 3.47Å; K255-D372 WeakPolarHBondContact CD-OD1 3.38Å; K255-D372 VanDerWaalsContact CD-OD2 3.23Å; K255-D372 WeakPolarHBondContact CD-OD2 3.29Å; K255-D372 IonicContact NZ-OD1 3.52Å; K255-D372 PolarHBondContact NZ-OD1 3.22Å
256	A	91.8	Very high	90.7	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.108	C	C	.	.			trans	-117.5	70.3	179.4	0	0	0	0	0	110.8	A219 V284 G285 D372 L425	A219-A256 WeakPolarHBondContact CB-O 3.38Å; A256-V284 HydrophobicContact CB-CG1 3.33Å; A256-G285 PolarHBondContact O-N 2.84Å; A256-D372 PolarHBondContact N-OD2 2.94Å; A256-L425 HydrophobicContact CB-CD2 3.83Å
257	P	93.8	Very high	91.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.107	C	C	.	.			trans	-65	145.9	-171.5	30.4	-36.9	0	0	0	112.1	D220 Y222 F228 K255 G285 Y289 F390	D220-P257 CarbonylContact O-C 3.51Å; D220-P257 WeakPolarHBondContact O-CA 3.44Å; Y222-P257 HydrophobicContact CD1-CB 3.84Å; Y222-P257 HydrophobicContact CE1-CB 4.28Å; F228-P257 HydrophobicContact CE1-CB 4.11Å; F228-P257 HydrophobicContact CE1-CG 4.48Å; K255-P257 VanDerWaalsContact C-CD 3.43Å; K255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-G285 WeakPolarHBondContact O-CA 3.23Å; P257-Y289 HydrophobicContact CG-CD2 4.23Å; P257-F390 HydrophobicContact CB-CD2 4.19Å; P257-F390 HydrophobicContact CG-CB 4.32Å; P257-F390 HydrophobicContact CG-CD2 3.67Å; P257-F390 HydrophobicContact CG-CE2 4.26Å; P257-F390 HydrophobicContact CG-CG 4.17Å
258	V	94.8	Very high	91.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.2	-176	-170	0	0	0	0	111	A219 D220 I221 Y222 L260 V263 F283 G285 L380	A219-V258 HydrophobicContact CB-CG2 3.71Å; D220-V258 PolarHBondContact O-N 3.35Å; I221-V258 WeakPolarHBondContact CA-O 3.42Å; Y222-V258 WeakPolarHBondContact CD1-O 3.11Å; Y222-V258 PolarHBondContact N-O 2.97Å; V258-L260 PolarHBondContact O-N 3.26Å; V258-V263 HydrophobicContact CB-CG2 4.06Å; V258-V263 HydrophobicContact CG1-CG2 3.51Å; V258-F283 WeakPolarHBondContact CG2-O 3.4Å; V258-G285 VanDerWaalsContact CG2-N 3.32Å; V258-L380 HydrophobicContact CG1-CD1 4.16Å
259	W	95.8	Very high	92.4	Very high	34 Å²	34	24.3 Å²	24.3	13%	0.129	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.4	174.6	-174.8	-136.9	0	0	0	111	Y222 C223 S261 D262 V263 K393	Y222-W259 AromaticContact CD2-CE3 3.45Å; Y222-W259 HydrophobicContact CD2-CE3 3.45Å; Y222-W259 VanDerWaalsContact CD2-CE3 3.45Å; Y222-W259 AromaticContact CD2-CZ3 3.69Å; Y222-W259 HydrophobicContact CD2-CZ3 3.69Å; Y222-W259 HydrophobicContact CE1-CB 4.02Å; Y222-W259 HydrophobicContact CE1-CE3 4.42Å; Y222-W259 HydrophobicContact CE2-CD2 4.15Å; Y222-W259 AromaticContact CE2-CE3 3.22Å; Y222-W259 HydrophobicContact CE2-CE3 3.22Å; Y222-W259 AromaticContact CE2-CZ3 3.69Å; Y222-W259 HydrophobicContact CE2-CZ3 3.69Å; Y222-W259 HydrophobicContact CG-CE3 4.14Å; Y222-W259 AromaticContact CZ-CE3 3.73Å; C223-W259 HydrophobicContact CB-CZ3 4.4Å; W259-S261 PolarHBondContact O-N 3.43Å; W259-S261 VanDerWaalsContact O-N 3.12Å; W259-D262 PolarHBondContact O-N 3.35Å; W259-V263 PolarHBondContact O-N 3.38Å; W259-K393 HydrophobicContact CD2-CB 3.9Å; W259-K393 HydrophobicContact CD2-CG 4.19Å; W259-K393 HydrophobicContact CE3-CB 3.97Å; W259-K393 HydrophobicContact CG-CB 4.37Å; W259-K393 HydrophobicContact CG-CG 4.24Å; W259-K393 HydrophobicContact CH2-CB 4.26Å; W259-K393 HydrophobicContact CZ2-CB 4.27Å; W259-K393 HydrophobicContact CZ3-CB 4.11Å
260	L	95.7	Very high	92.8	Very high	17 Å²	17	19.6 Å²	19.6	9%	0.089	9%	0.094	C	C	.	.	H	α-helix	trans	-52.8	-40	-178	174.8	62.8	0	0	0	112.8	M72 V73 A76 I221 Y222 C223 V258 D262 V263 I264	M72-L260 HydrophobicContact CG-CD2 4.32Å; V73-L260 HydrophobicContact CB-CD1 4.29Å; V73-L260 HydrophobicContact CG1-CD1 4.3Å; V73-L260 HydrophobicContact CG2-CD1 3.99Å; A76-L260 HydrophobicContact CB-CD1 4.48Å; A76-L260 HydrophobicContact CB-CD2 3.8Å; A76-L260 HydrophobicContact CB-CG 4.16Å; I221-L260 HydrophobicContact CG2-CB 3.73Å; I221-L260 HydrophobicContact CG2-CD1 3.87Å; I221-L260 HydrophobicContact CG2-CG 4.39Å; Y222-L260 PolarHBondContact O-N 3.31Å; C223-L260 HydrophobicContact CB-CB 3.71Å; C223-L260 HydrophobicContact CB-CD2 3.7Å; C223-L260 HydrophobicContact CB-CG 4.36Å; V258-L260 PolarHBondContact O-N 3.26Å; L260-D262 PolarHBondContact O-N 3.27Å; L260-V263 WeakPolarHBondContact O-CB 3.38Å; L260-V263 PolarHBondContact O-N 2.81Å; L260-I264 HydrophobicContact CD1-CD1 4.08Å; L260-I264 HydrophobicContact CD1-CG1 4.17Å; L260-I264 HydrophobicContact CG-CG1 4.38Å; L260-I264 WeakPolarHBondContact O-CG1 3.49Å; L260-I264 PolarHBondContact O-N 2.92Å
261	S	95.3	Very high	93.3	Very high	34 Å²	34	19.6 Å²	19.6	24%	0.238	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-39.2	176.8	169.9	0	0	0	0	112.4	R80 W259 I264 S265	R80-S261 PolarHBondContact NH1-O 3.31Å; R80-S261 VanDerWaalsContact NH2-CB 3.25Å; R80-S261 PolarHBondContact NH2-OG 3.47Å; W259-S261 PolarHBondContact O-N 3.43Å; W259-S261 VanDerWaalsContact O-N 3.12Å; S261-I264 PolarHBondContact O-N 3.15Å; S261-S265 PolarHBondContact O-N 3.22Å; S261-S265 PolarHBondContact O-OG 3.25Å
262	D	96.4	Very high	93.6	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.053	9%	0.092	C	C	.	.	H	α-helix	trans	-77	-37.2	-174.3	-58.7	-14.8	0	0	0	110	W259 L260 I264 S265 G266 L380 P387 Q388	W259-D262 PolarHBondContact O-N 3.35Å; L260-D262 PolarHBondContact O-N 3.27Å; D262-I264 VanDerWaalsContact C-N 3.32Å; D262-I264 PolarHBondContact O-N 2.69Å; D262-S265 PolarHBondContact O-N 3.02Å; D262-G266 PolarHBondContact O-N 2.69Å; D262-L380 HydrophobicContact CB-CD1 4.25Å; D262-P387 WeakPolarHBondContact OD2-CA 3.37Å; D262-Q388 WeakPolarHBondContact OD2-CG 3.43Å; D262-Q388 PolarHBondContact OD2-N 3.37Å
263	V	96.9	Very high	94	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54.9	-48.4	167.8	175.2	0	0	0	0	110.6	F175 I221 V258 W259 L260 G266 T267 F283	F175-V263 HydrophobicContact CE1-CG1 3.83Å; F175-V263 HydrophobicContact CZ-CG1 4.26Å; I221-V263 HydrophobicContact CD1-CG1 4.2Å; I221-V263 HydrophobicContact CD1-CG2 4.21Å; I221-V263 HydrophobicContact CG1-CG2 4.19Å; V258-V263 HydrophobicContact CB-CG2 4.06Å; V258-V263 HydrophobicContact CG1-CG2 3.51Å; W259-V263 PolarHBondContact O-N 3.38Å; L260-V263 WeakPolarHBondContact O-CB 3.38Å; L260-V263 PolarHBondContact O-N 2.81Å; V263-G266 PolarHBondContact O-N 3.25Å; V263-T267 WeakPolarHBondContact O-CB 3.3Å; V263-T267 PolarHBondContact O-N 3.01Å; V263-T267 PolarHBondContact O-OG1 2.64Å; V263-F283 HydrophobicContact CB-CD2 4.31Å; V263-F283 HydrophobicContact CG1-CD2 4.03Å; V263-F283 HydrophobicContact CG1-CE2 4.44Å; V263-F283 HydrophobicContact CG2-CD2 4.39Å
264	I	97.2	Very high	94.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-43	179.6	-61.3	-41.6	0	0	0	111.1	V73 A76 L77 R80 L260 S261 D262 G266 T267 M268	V73-I264 HydrophobicContact CG1-CD1 3.76Å; A76-I264 HydrophobicContact CB-CD1 4.25Å; A76-I264 HydrophobicContact CB-CG1 3.85Å; L77-I264 HydrophobicContact CB-CD1 3.78Å; L77-I264 HydrophobicContact CD1-CD1 4.28Å; L77-I264 HydrophobicContact CD1-CG2 3.89Å; R80-I264 HydrophobicContact CB-CG2 3.86Å; R80-I264 HydrophobicContact CG-CG2 3.7Å; L260-I264 HydrophobicContact CD1-CD1 4.08Å; L260-I264 HydrophobicContact CD1-CG1 4.17Å; L260-I264 HydrophobicContact CG-CG1 4.38Å; L260-I264 WeakPolarHBondContact O-CG1 3.49Å; L260-I264 PolarHBondContact O-N 2.92Å; S261-I264 PolarHBondContact O-N 3.15Å; D262-I264 VanDerWaalsContact C-N 3.32Å; D262-I264 PolarHBondContact O-N 2.69Å; I264-G266 VanDerWaalsContact C-N 3.32Å; I264-G266 PolarHBondContact O-N 2.88Å; I264-T267 PolarHBondContact O-N 3.06Å; I264-M268 HydrophobicContact CG2-CG 4.35Å; I264-M268 VanDerWaalsContact O-CG 3.23Å; I264-M268 WeakPolarHBondContact O-CG 3.16Å; I264-M268 PolarHBondContact O-N 2.87Å
265	S	96.5	Very high	94.3	Very high	36 Å²	36	28.5 Å²	28.5	25%	0.252	15%	0.151	S	C	.	.	H	α-helix	trans	-61.4	-41.8	177.1	-67.2	0	0	0	0	111.5	R80 S261 D262 M268 R269	R80-S265 PolarHBondContact NH1-OG 2.96Å; S261-S265 PolarHBondContact O-N 3.22Å; S261-S265 PolarHBondContact O-OG 3.25Å; D262-S265 PolarHBondContact O-N 3.02Å; S265-M268 PolarHBondContact O-N 2.91Å; S265-R269 WeakPolarHBondContact O-CG 3.26Å; S265-R269 PolarHBondContact O-N 3.43Å; S265-R269 VanDerWaalsContact O-N 3.12Å
266	G	96.9	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-46.5	175.7	0	0	0	0	0	111.4	D262 V263 I264 M268 R269 T270	D262-G266 PolarHBondContact O-N 2.69Å; V263-G266 PolarHBondContact O-N 3.25Å; I264-G266 VanDerWaalsContact C-N 3.32Å; I264-G266 PolarHBondContact O-N 2.88Å; G266-M268 VanDerWaalsContact C-N 3.32Å; G266-M268 PolarHBondContact O-N 3.07Å; G266-R269 PolarHBondContact O-N 2.87Å; G266-R269 VanDerWaalsContact O-N 3.15Å; G266-T270 WeakPolarHBondContact O-CG2 3.24Å; G266-T270 PolarHBondContact O-N 3.38Å; G266-T270 PolarHBondContact O-OG1 3.36Å
267	T	97	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-40.7	178.2	-50.2	0	0	0	0	112.1	L77 V173 F175 I216 V263 I264 T270 L271	L77-T267 HydrophobicContact CD1-CG2 3.87Å; L77-T267 HydrophobicContact CD2-CG2 4.09Å; V173-T267 HydrophobicContact CG1-CG2 4.45Å; F175-T267 HydrophobicContact CE2-CG2 3.8Å; F175-T267 HydrophobicContact CZ-CG2 3.92Å; F175-T267 VanDerWaalsContact CZ-OG1 3.28Å; F175-T267 WeakPolarHBondContact CZ-OG1 3.33Å; I216-T267 HydrophobicContact CD1-CG2 4.08Å; V263-T267 WeakPolarHBondContact O-CB 3.3Å; V263-T267 PolarHBondContact O-N 3.01Å; V263-T267 PolarHBondContact O-OG1 2.64Å; I264-T267 PolarHBondContact O-N 3.06Å; T267-T270 VanDerWaalsContact CA-OG1 3.29Å; T267-T270 WeakPolarHBondContact CA-OG1 3.45Å; T267-T270 PolarHBondContact O-N 3.06Å; T267-T270 PolarHBondContact O-OG1 3.14Å; T267-L271 HydrophobicContact CG2-CD1 4.01Å; T267-L271 HydrophobicContact CG2-CG 4.44Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 VanDerWaalsContact O-CG 3.25Å; T267-L271 WeakPolarHBondContact O-CG 3.49Å; T267-L271 PolarHBondContact O-N 2.82Å
268	M	95.5	Very high	94.4	Very high	26 Å²	26	31 Å²	31	13%	0.128	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-44.9	175.7	-72.4	-72.5	-74.3	0	0	111.4	L77 R80 I81 T84 I264 S265 G266 L271 F272	L77-M268 HydrophobicContact CD1-CG 4.46Å; L77-M268 HydrophobicContact CD1-SD 4.4Å; R80-M268 HydrophobicContact CB-CE 4.47Å; R80-M268 HydrophobicContact CB-CG 4.44Å; R80-M268 HydrophobicContact CB-SD 4.31Å; I81-M268 HydrophobicContact CB-SD 4.24Å; I81-M268 HydrophobicContact CD1-SD 4.36Å; I81-M268 HydrophobicContact CG1-CE 4.26Å; I81-M268 HydrophobicContact CG1-SD 3.27Å; I81-M268 WeakPolarHBondContact CG1-SD 3.42Å; T84-M268 HydrophobicContact CG2-CE 3.59Å; I264-M268 HydrophobicContact CG2-CG 4.35Å; I264-M268 VanDerWaalsContact O-CG 3.23Å; I264-M268 WeakPolarHBondContact O-CG 3.16Å; I264-M268 PolarHBondContact O-N 2.87Å; S265-M268 PolarHBondContact O-N 2.91Å; G266-M268 VanDerWaalsContact C-N 3.32Å; G266-M268 PolarHBondContact O-N 3.07Å; M268-L271 PolarHBondContact O-N 3.14Å; M268-F272 HydrophobicContact CE-CD2 4.5Å; M268-F272 HydrophobicContact CE-CE2 3.63Å; M268-F272 HydrophobicContact CE-CZ 4.48Å; M268-F272 WeakPolarHBondContact O-CD2 3.39Å; M268-F272 PolarHBondContact O-N 3.35Å; M268-F272 HydrophobicContact SD-CE2 4.05Å
269	R	95.4	Very high	94.4	Very high	110 Å²	110	33.4 Å²	33.4	42%	0.415	19%	0.186	S	C	.	.	H	α-helix	trans	-63.2	-45.4	177.5	-68.6	-173.7	-170.5	-177.3	3.8	111.2	S265 G266 L271 F272 D273 L383 G384 I385	S265-R269 WeakPolarHBondContact O-CG 3.26Å; S265-R269 PolarHBondContact O-N 3.43Å; S265-R269 VanDerWaalsContact O-N 3.12Å; G266-R269 PolarHBondContact O-N 2.87Å; G266-R269 VanDerWaalsContact O-N 3.15Å; R269-L271 VanDerWaalsContact C-N 3.25Å; R269-L271 PolarHBondContact O-N 2.98Å; R269-F272 PolarHBondContact O-N 2.94Å; R269-D273 WeakPolarHBondContact O-CB 3.46Å; R269-D273 PolarHBondContact O-N 3.2Å; R269-L383 WeakPolarHBondContact CD-O 3.45Å; R269-L383 PolarHBondContact NH1-O 3.31Å; R269-G384 PolarHBondContact NH1-O 3.35Å; R269-I385 HydrophobicContact CG-CD1 4.47Å
270	T	95	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-27	176.2	55.8	0	0	0	0	113.7	V214 G266 T267 T276 F281 L383	V214-T270 HydrophobicContact CG1-CG2 4.41Å; G266-T270 WeakPolarHBondContact O-CG2 3.24Å; G266-T270 PolarHBondContact O-N 3.38Å; G266-T270 PolarHBondContact O-OG1 3.36Å; T267-T270 VanDerWaalsContact CA-OG1 3.29Å; T267-T270 WeakPolarHBondContact CA-OG1 3.45Å; T267-T270 PolarHBondContact O-N 3.06Å; T267-T270 PolarHBondContact O-OG1 3.14Å; T270-T276 HydrophobicContact CG2-CG2 4.4Å; T270-T276 PolarHBondContact O-OG1 3.25Å; T270-F281 HydrophobicContact CG2-CD2 3.83Å; T270-F281 HydrophobicContact CG2-CE2 3.71Å; T270-F281 HydrophobicContact CG2-CG 4.35Å; T270-F281 HydrophobicContact CG2-CZ 4.14Å; T270-L383 HydrophobicContact CG2-CD1 3.74Å; T270-L383 HydrophobicContact CG2-CD2 3.98Å
271	L	93.3	Very high	94.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-75.5	-36.6	-179.1	-85.9	167.8	0	0	0	113.3	I81 L133 V135 V173 T267 M268 R269	I81-L271 HydrophobicContact CD1-CD1 4.01Å; L133-L271 HydrophobicContact CB-CD2 4.43Å; V135-L271 HydrophobicContact CG2-CD1 3.72Å; V135-L271 HydrophobicContact CG2-CD2 3.68Å; V135-L271 HydrophobicContact CG2-CG 4.24Å; V173-L271 HydrophobicContact CB-CD2 4.29Å; V173-L271 HydrophobicContact CG2-CD2 3.46Å; V173-L271 VanDerWaalsContact CG2-CD2 3.46Å; V173-L271 HydrophobicContact CG2-CG 3.94Å; T267-L271 HydrophobicContact CG2-CD1 4.01Å; T267-L271 HydrophobicContact CG2-CG 4.44Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 VanDerWaalsContact O-CG 3.25Å; T267-L271 WeakPolarHBondContact O-CG 3.49Å; T267-L271 PolarHBondContact O-N 2.82Å; M268-L271 PolarHBondContact O-N 3.14Å; R269-L271 VanDerWaalsContact C-N 3.25Å; R269-L271 PolarHBondContact O-N 2.98Å
272	F	90.5	Very high	94.4	Very high	80 Å²	80	30.7 Å²	30.7	35%	0.351	17%	0.172	S	C	.	.	H	α-helix	trans	-98.3	-14.8	-176.7	-63.6	-65.7	0	0	0	113.3	L133 M268 R269 P274	L133-F272 HydrophobicContact CD1-CD1 4.32Å; L133-F272 HydrophobicContact CD1-CE1 3.93Å; M268-F272 HydrophobicContact CE-CD2 4.5Å; M268-F272 HydrophobicContact CE-CE2 3.63Å; M268-F272 HydrophobicContact CE-CZ 4.48Å; M268-F272 WeakPolarHBondContact O-CD2 3.39Å; M268-F272 PolarHBondContact O-N 3.35Å; M268-F272 HydrophobicContact SD-CE2 4.05Å; R269-F272 PolarHBondContact O-N 2.94Å; F272-P274 WeakPolarHBondContact O-CD 3.24Å
273	D	91.5	Very high	94.4	Very high	57 Å²	57	30.2 Å²	30.2	31%	0.305	17%	0.17	S	C	.	.			trans	-91.3	111	178.5	-173.6	-4.6	0	0	0	111.7	R269 T275 T276	R269-D273 WeakPolarHBondContact O-CB 3.46Å; R269-D273 PolarHBondContact O-N 3.2Å; D273-T275 PolarHBondContact O-N 3.31Å; D273-T275 WeakPolarHBondContact OD1-CB 3.27Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.17Å; D273-T275 PolarHBondContact OD1-N 2.72Å; D273-T275 PolarHBondContact OD1-OG1 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3Å; D273-T276 HydrophobicContact CB-CG2 3.97Å; D273-T276 PolarHBondContact O-N 3.49Å; D273-T276 PolarHBondContact O-OG1 2.88Å
274	P	88.1	Confident	94.2	Very high	87 Å²	87	30.6 Å²	30.6	57%	0.565	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-67.9	-19.5	-179	28.9	-35.7	0	0	0	113.5	F272 T276 A277	F272-P274 WeakPolarHBondContact O-CD 3.24Å; P274-T276 PolarHBondContact O-N 3.02Å; P274-A277 PolarHBondContact O-N 3.35Å
275	T	92.3	Very high	94	Very high	99 Å²	99	30.6 Å²	30.6	61%	0.607	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-69.5	-17	-179.6	67.2	0	0	0	0	113	D273 A277	D273-T275 PolarHBondContact O-N 3.31Å; D273-T275 WeakPolarHBondContact OD1-CB 3.27Å; D273-T275 WeakPolarHBondContact OD1-CG2 3.17Å; D273-T275 PolarHBondContact OD1-N 2.72Å; D273-T275 PolarHBondContact OD1-OG1 3.27Å; D273-T275 PolarHBondContact OD2-OG1 3Å; T275-A277 VanDerWaalsContact C-N 3.29Å; T275-A277 PolarHBondContact O-N 3.32Å
276	T	92.2	Very high	93.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-82.6	-3.7	-177.5	66.3	0	0	0	0	113.8	V214 T270 D273 P274 G278 E279 F281 L383	V214-T276 WeakPolarHBondContact CG2-O 3.16Å; T270-T276 HydrophobicContact CG2-CG2 4.4Å; T270-T276 PolarHBondContact O-OG1 3.25Å; D273-T276 HydrophobicContact CB-CG2 3.97Å; D273-T276 PolarHBondContact O-N 3.49Å; D273-T276 PolarHBondContact O-OG1 2.88Å; P274-T276 PolarHBondContact O-N 3.02Å; T276-G278 PolarHBondContact O-N 3.25Å; T276-E279 WeakPolarHBondContact O-CB 3.03Å; T276-E279 WeakPolarHBondContact O-CG 3.41Å; T276-E279 PolarHBondContact O-N 2.68Å; T276-F281 HydrophobicContact CG2-CE2 4.19Å; T276-F281 HydrophobicContact CG2-CZ 3.83Å; T276-L383 HydrophobicContact CG2-CD2 4.35Å
277	A	91.8	Very high	93.6	Very high	39 Å²	39	33.3 Å²	33.3	32%	0.322	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	126.9	-176.9	0	0	0	0	0	112.1	N212 P274 T275 E279	N212-A277 HydrophobicContact CB-CB 4.46Å; P274-A277 PolarHBondContact O-N 3.35Å; T275-A277 VanDerWaalsContact C-N 3.29Å; T275-A277 PolarHBondContact O-N 3.32Å; A277-E279 VanDerWaalsContact C-N 3.27Å; A277-E279 PolarHBondContact O-N 3.02Å
278	G	93.4	Very high	93.3	Very high	19 Å²	19	33.4 Å²	33.4	20%	0.196	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	1.7	-178.6	0	0	0	0	0	115.1	R207 N212 A213 T276	R207-G278 PolarHBondContact NH1-O 3.17Å; N212-G278 VanDerWaalsContact C-N 3.34Å; N212-G278 PolarHBondContact O-N 3.23Å; A213-G278 WeakPolarHBondContact O-CA 3.26Å; T276-G278 PolarHBondContact O-N 3.25Å
279	E	95.5	Very high	93.1	Very high	49 Å²	49	32.3 Å²	32.3	23%	0.229	18%	0.176	C	C	.	.			trans	-86.5	154	-179.7	-57.3	-166.9	149.3	0	0	112.8	V214 I215 T276 A277 F281 K378	V214-E279 WeakPolarHBondContact CA-O 3.22Å; I215-E279 PolarHBondContact N-O 2.9Å; T276-E279 WeakPolarHBondContact O-CB 3.03Å; T276-E279 WeakPolarHBondContact O-CG 3.41Å; T276-E279 PolarHBondContact O-N 2.68Å; A277-E279 VanDerWaalsContact C-N 3.27Å; A277-E279 PolarHBondContact O-N 3.02Å; E279-F281 HydrophobicContact CB-CD2 4.45Å; E279-F281 HydrophobicContact CB-CE2 3.74Å; E279-F281 HydrophobicContact CB-CZ 4.07Å; E279-F281 VanDerWaalsContact OE2-CZ 3.28Å; E279-F281 WeakPolarHBondContact OE2-CZ 3.25Å; E279-K378 WeakPolarHBondContact OE1-CE 3.44Å; E279-K378 IonicContact OE1-NZ 2.68Å; E279-K378 PolarHBondContact OE1-NZ 3.37Å; E279-K378 VanDerWaalsContact OE2-CD 3.3Å; E279-K378 WeakPolarHBondContact OE2-CD 3.19Å; E279-K378 VanDerWaalsContact OE2-CE 3.3Å; E279-K378 WeakPolarHBondContact OE2-CE 3.27Å; E279-K378 IonicContact OE2-NZ 3.5Å; E279-K378 PolarHBondContact OE2-NZ 2.93Å
280	T	96.2	Very high	92.9	Very high	26 Å²	26	28.2 Å²	28.2	16%	0.16	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.1	172.5	-49.7	0	0	0	0	108.6	R207 I215 R217 K378	R207-T280 PolarHBondContact NH2-OG1 2.95Å; I215-T280 HydrophobicContact CB-CG2 4.15Å; I215-T280 HydrophobicContact CG2-CG2 4.19Å; I215-T280 CarbonylContact O-C 3.57Å; I215-T280 VanDerWaalsContact O-CA 3.31Å; I215-T280 WeakPolarHBondContact O-CA 3.47Å; R217-T280 HydrophobicContact CG-CG2 4.36Å; T280-K378 PolarHBondContact O-N 3.13Å
281	F	96.2	Very high	92.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.7	177.6	-66.9	-85.7	0	0	0	111.1	V214 I215 R217 T270 T276 E279 F283 K378 L383	V214-F281 HydrophobicContact CG1-CD2 3.67Å; V214-F281 HydrophobicContact CG1-CE2 3.77Å; I215-F281 PolarHBondContact O-N 3.22Å; R217-F281 PolarHBondContact N-O 3.37Å; T270-F281 HydrophobicContact CG2-CD2 3.83Å; T270-F281 HydrophobicContact CG2-CE2 3.71Å; T270-F281 HydrophobicContact CG2-CG 4.35Å; T270-F281 HydrophobicContact CG2-CZ 4.14Å; T276-F281 HydrophobicContact CG2-CE2 4.19Å; T276-F281 HydrophobicContact CG2-CZ 3.83Å; E279-F281 HydrophobicContact CB-CD2 4.45Å; E279-F281 HydrophobicContact CB-CE2 3.74Å; E279-F281 HydrophobicContact CB-CZ 4.07Å; E279-F281 VanDerWaalsContact OE2-CZ 3.28Å; E279-F281 WeakPolarHBondContact OE2-CZ 3.25Å; F281-F283 HydrophobicContact CB-CD1 4.1Å; F281-F283 HydrophobicContact CB-CE1 3.64Å; F281-F283 HydrophobicContact CB-CZ 4.38Å; F281-F283 HydrophobicContact CG-CE1 4.25Å; F281-K378 CarbonylContact C-O 3.29Å; F281-K378 VanDerWaalsContact CA-O 3.24Å; F281-K378 WeakPolarHBondContact CA-O 3.41Å; F281-K378 HydrophobicContact CD1-CB 3.57Å; F281-K378 HydrophobicContact CE1-CB 3.62Å; F281-K378 HydrophobicContact CE1-CD 3.84Å; F281-K378 HydrophobicContact CE1-CG 4.39Å; F281-K378 HydrophobicContact CZ-CD 4.25Å; F281-L383 HydrophobicContact CD1-CD1 4.19Å; F281-L383 HydrophobicContact CD1-CD2 4.35Å; F281-L383 HydrophobicContact CD1-CG 4.22Å; F281-L383 HydrophobicContact CE1-CD1 4.31Å; F281-L383 HydrophobicContact CE1-CD2 3.65Å; F281-L383 HydrophobicContact CE1-CG 3.95Å; F281-L383 HydrophobicContact CZ-CD2 3.95Å
282	E	95.4	Very high	92.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	109.2	171.4	-74.3	179.7	168.2	0	0	108.9	L178 R217 V284 L374 T375 C377 K378 T379	L178-E282 HydrophobicContact CD1-CB 3.72Å; L178-E282 HydrophobicContact CD1-CG 3.63Å; R217-E282 HydrophobicContact CB-CG 4.12Å; R217-E282 IonicContact NH1-OE1 3.47Å; R217-E282 WeakPolarHBondContact O-CA 3.41Å; E282-V284 HydrophobicContact CB-CG2 4.4Å; E282-V284 PolarHBondContact O-N 2.98Å; E282-L374 HydrophobicContact CB-CD2 4.19Å; E282-L374 WeakPolarHBondContact OE2-CA 3.37Å; E282-L374 WeakPolarHBondContact OE2-CD2 3.2Å; E282-T375 WeakPolarHBondContact OE1-CB 3.46Å; E282-T375 WeakPolarHBondContact OE1-CG2 3.29Å; E282-T375 PolarHBondContact OE1-N 3.3Å; E282-T375 PolarHBondContact OE1-OG1 2.76Å; E282-T375 PolarHBondContact OE2-N 2.69Å; E282-C377 HydrophobicContact CB-CB 4.35Å; E282-C377 HydrophobicContact CG-CB 3.71Å; E282-K378 PolarHBondContact N-O 3.19Å; E282-T379 WeakPolarHBondContact O-CA 3.3Å
283	F	95.7	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.7	177.3	-66.6	-9.1	0	0	0	108.3	I216 R217 P218 A219 V258 V263 F281 L380 L383	I216-F283 HydrophobicContact CB-CE2 4.45Å; I216-F283 HydrophobicContact CD1-CE2 3.88Å; I216-F283 HydrophobicContact CD1-CZ 3.94Å; I216-F283 HydrophobicContact CG1-CE2 4.34Å; I216-F283 HydrophobicContact CG1-CZ 4.24Å; I216-F283 HydrophobicContact CG2-CD1 4.42Å; I216-F283 HydrophobicContact CG2-CD2 3.36Å; I216-F283 HydrophobicContact CG2-CE1 4.38Å; I216-F283 HydrophobicContact CG2-CE2 3.31Å; I216-F283 HydrophobicContact CG2-CG 3.95Å; I216-F283 HydrophobicContact CG2-CZ 3.85Å; R217-F283 PolarHBondContact O-N 3.24Å; P218-F283 HydrophobicContact CB-CB 4.49Å; A219-F283 PolarHBondContact N-O 3.3Å; V258-F283 WeakPolarHBondContact CG2-O 3.4Å; V263-F283 HydrophobicContact CB-CD2 4.31Å; V263-F283 HydrophobicContact CG1-CD2 4.03Å; V263-F283 HydrophobicContact CG1-CE2 4.44Å; V263-F283 HydrophobicContact CG2-CD2 4.39Å; F281-F283 HydrophobicContact CB-CD1 4.1Å; F281-F283 HydrophobicContact CB-CE1 3.64Å; F281-F283 HydrophobicContact CB-CZ 4.38Å; F281-F283 HydrophobicContact CG-CE1 4.25Å; F283-L380 HydrophobicContact CB-CD1 4.2Å; F283-L380 HydrophobicContact CB-CD2 4.39Å; F283-L380 HydrophobicContact CB-CG 4.14Å; F283-L380 HydrophobicContact CD1-CD2 3.41Å; F283-L380 VanDerWaalsContact CD1-CD2 3.41Å; F283-L380 HydrophobicContact CD1-CG 3.62Å; F283-L380 HydrophobicContact CD2-CD2 4.11Å; F283-L380 HydrophobicContact CE1-CD2 3.56Å; F283-L380 HydrophobicContact CE1-CG 4.21Å; F283-L380 HydrophobicContact CE2-CD2 4.23Å; F283-L380 HydrophobicContact CG-CD1 4.41Å; F283-L380 HydrophobicContact CG-CD2 3.72Å; F283-L380 HydrophobicContact CG-CG 3.93Å; F283-L380 HydrophobicContact CZ-CD2 3.99Å; F283-L383 HydrophobicContact CE1-CD1 3.76Å; F283-L383 HydrophobicContact CZ-CD1 4Å
284	V	93.8	Very high	92.7	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.055	14%	0.14	C	C	.	.			trans	-128.7	148.9	-176.3	-174.8	0	0	0	0	109.5	L178 A219 A256 E282 L374 L425	L178-V284 HydrophobicContact CD1-CG2 3.69Å; L178-V284 HydrophobicContact CD2-CG2 3.86Å; L178-V284 HydrophobicContact CG-CG2 4.44Å; A219-V284 HydrophobicContact CB-CG2 4.45Å; A256-V284 HydrophobicContact CB-CG1 3.33Å; E282-V284 HydrophobicContact CB-CG2 4.4Å; E282-V284 PolarHBondContact O-N 2.98Å; V284-L374 HydrophobicContact CB-CD2 4.18Å; V284-L374 HydrophobicContact CG2-CD2 3.49Å; V284-L374 VanDerWaalsContact CG2-CD2 3.49Å; V284-L425 HydrophobicContact CG1-CD1 4.31Å; V284-L425 HydrophobicContact CG1-CD2 3.66Å
285	G	93	Very high	93	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	11%	0.113	C	C	.	.			trans	-64.9	169.9	172.9	0	0	0	0	0	112	A256 P257 V258 Y287	A256-G285 PolarHBondContact O-N 2.84Å; P257-G285 WeakPolarHBondContact O-CA 3.23Å; V258-G285 VanDerWaalsContact CG2-N 3.32Å; G285-Y287 VanDerWaalsContact C-N 3.28Å; G285-Y287 PolarHBondContact O-N 3.28Å
286	P	92.1	Very high	92.9	Very high	30 Å²	30	15.5 Å²	15.5	20%	0.195	9%	0.089	C	C	.	.	S	Bend	trans	-68.1	-28.6	-178.6	26	-32.1	0	0	0	113.2	P387 Q388 P389	P286-P387 HydrophobicContact CB-CG 4.08Å; P286-Q388 VanDerWaalsContact CD-O 3.29Å; P286-Q388 WeakPolarHBondContact CD-O 3.36Å; P286-P389 HydrophobicContact CG-CB 4.16Å
287	Y	91.9	Very high	92.9	Very high	63 Å²	63	16 Å²	16	25%	0.247	9%	0.09	C	C	.	.	S	Bend	trans	-132.3	149.7	-173.6	-53.4	-61.5	0	0	0	110.8	G285 P389 R422 I436	G285-Y287 VanDerWaalsContact C-N 3.28Å; G285-Y287 PolarHBondContact O-N 3.28Å; Y287-P389 HydrophobicContact CD2-CB 4.32Å; Y287-P389 HydrophobicContact CE2-CB 4.17Å; Y287-R422 HydrophobicContact CD1-CB 4.33Å; Y287-R422 HydrophobicContact CD2-CG 4.11Å; Y287-R422 HydrophobicContact CG-CB 4.12Å; Y287-R422 HydrophobicContact CG-CG 4.11Å; Y287-I436 HydrophobicContact CD1-CD1 3.45Å; Y287-I436 VanDerWaalsContact CD1-CD1 3.45Å; Y287-I436 HydrophobicContact CE1-CD1 3.67Å
288	S	91.1	Very high	92.9	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.7	166.7	-172.8	0	0	0	0	109.3	Y423	S288-Y423 PolarHBondContact N-O 3.19Å; S288-Y423 WeakPolarHBondContact O-CA 3.46Å; S288-Y423 WeakPolarHBondContact O-CB 3.47Å; S288-Y423 PolarHBondContact O-N 3.25Å
289	Y	91.7	Very high	92.8	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.008	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.9	179.7	-62.1	-79	0	0	0	110	Y254 K255 P257 L291 L294 F390 E391 P420 R422	Y254-Y289 CarbonylContact C-O 3.6Å; Y254-Y289 WeakPolarHBondContact CA-O 3.32Å; K255-Y289 PolarHBondContact N-O 3.44Å; K255-Y289 PolarHBondContact O-N 3.43Å; P257-Y289 HydrophobicContact CG-CD2 4.23Å; Y289-L291 PolarHBondContact O-N 3.05Å; Y289-L294 HydrophobicContact CD1-CD1 4.36Å; Y289-L294 HydrophobicContact CD2-CD1 4.37Å; Y289-L294 HydrophobicContact CG-CD1 4.01Å; Y289-F390 HydrophobicContact CD2-CB 4.42Å; Y289-F390 HydrophobicContact CE2-CB 3.58Å; Y289-E391 WeakPolarHBondContact CE1-OE1 3.2Å; Y289-E391 PolarHBondContact OH-OE1 3.27Å; Y289-P420 HydrophobicContact CD1-CB 4.14Å; Y289-P420 HydrophobicContact CD1-CG 3.83Å; Y289-P420 HydrophobicContact CE1-CB 4.45Å; Y289-P420 HydrophobicContact CE1-CG 3.72Å; Y289-R422 HydrophobicContact CE1-CG 3.82Å
290	Q	91.1	Very high	92.5	Very high	24 Å²	24	13.6 Å²	13.6	11%	0.112	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.7	167.8	-169.6	177	35	0	0	108.7	G250 E251 Y254 G292 N293 L294 Y423	G250-Q290 WeakPolarHBondContact O-CG 3.44Å; E251-Q290 PolarHBondContact O-NE2 3.05Å; Y254-Q290 HydrophobicContact CD1-CB 4.1Å; Y254-Q290 HydrophobicContact CE1-CB 3.77Å; Y254-Q290 HydrophobicContact CE1-CG 4.13Å; Q290-G292 VanDerWaalsContact C-N 3.27Å; Q290-G292 PolarHBondContact O-N 3.42Å; Q290-N293 HydrophobicContact CB-CB 4.47Å; Q290-N293 PolarHBondContact O-N 3.4Å; Q290-N293 PolarHBondContact OE1-ND2 3.41Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 PolarHBondContact O-N 2.87Å; Q290-Y423 HydrophobicContact CB-CE2 3.9Å
291	L	91.3	Very high	92	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-59.5	-38.7	-171.5	-175.4	64.6	0	0	0	112.3	F232 L246 G250 T253 K255 Y289 L294 V295 V347	F232-L291 HydrophobicContact CE1-CD1 4.2Å; F232-L291 HydrophobicContact CE1-CD2 4.35Å; F232-L291 HydrophobicContact CE2-CD1 4.16Å; F232-L291 HydrophobicContact CZ-CD1 3.69Å; F232-L291 HydrophobicContact CZ-CD2 4.23Å; F232-L291 HydrophobicContact CZ-CG 4.42Å; L246-L291 HydrophobicContact CD2-CD2 4.29Å; G250-L291 PolarHBondContact O-N 3Å; T253-L291 WeakPolarHBondContact O-CB 3.49Å; T253-L291 PolarHBondContact O-N 3.43Å; T253-L291 WeakPolarHBondContact OG1-CB 3.37Å; T253-L291 WeakPolarHBondContact OG1-CD2 3.2Å; K255-L291 HydrophobicContact CG-CD1 4.48Å; Y289-L291 PolarHBondContact O-N 3.05Å; L291-L294 PolarHBondContact O-N 3.17Å; L291-V295 HydrophobicContact CD1-CG2 4.08Å; L291-V295 HydrophobicContact CG-CG2 4.26Å; L291-V295 WeakPolarHBondContact O-CB 3.39Å; L291-V295 VanDerWaalsContact O-CG2 3.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.21Å; L291-V295 PolarHBondContact O-N 2.64Å; L291-V347 HydrophobicContact CD2-CG1 3.56Å
292	G	90.8	Very high	91.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.6	-51.5	177.6	0	0	0	0	0	111.8	G250 Q290 L294 V295 E296	G250-G292 PolarHBondContact O-N 2.93Å; Q290-G292 VanDerWaalsContact C-N 3.27Å; Q290-G292 PolarHBondContact O-N 3.42Å; G292-L294 VanDerWaalsContact C-N 3.35Å; G292-V295 PolarHBondContact O-N 3.19Å; G292-E296 WeakPolarHBondContact O-CB 3.13Å; G292-E296 PolarHBondContact O-N 2.82Å
293	N	91.7	Very high	90.8	Very high	36 Å²	36	13.9 Å²	13.9	19%	0.193	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-37.1	178.2	-63.4	-13.4	0	0	0	111.8	Q290 W297	Q290-N293 HydrophobicContact CB-CB 4.47Å; Q290-N293 PolarHBondContact O-N 3.4Å; Q290-N293 PolarHBondContact OE1-ND2 3.41Å; N293-W297 VanDerWaalsContact O-CB 3.29Å; N293-W297 WeakPolarHBondContact O-CB 3.37Å; N293-W297 PolarHBondContact O-N 3.32Å
294	L	92.3	Very high	90.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-46.2	178	-170.9	67.1	0	0	0	111.5	F228 Y289 Q290 L291 G292 W297 M298 F390 P420	F228-L294 HydrophobicContact CE1-CD2 4.14Å; F228-L294 HydrophobicContact CZ-CD2 3.92Å; Y289-L294 HydrophobicContact CD1-CD1 4.36Å; Y289-L294 HydrophobicContact CD2-CD1 4.37Å; Y289-L294 HydrophobicContact CG-CD1 4.01Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 PolarHBondContact O-N 2.87Å; L291-L294 PolarHBondContact O-N 3.17Å; G292-L294 VanDerWaalsContact C-N 3.35Å; L294-W297 PolarHBondContact O-N 3.43Å; L294-M298 WeakPolarHBondContact O-CG 3.29Å; L294-M298 PolarHBondContact O-N 2.77Å; L294-F390 HydrophobicContact CD1-CD1 3.5Å; L294-F390 VanDerWaalsContact CD1-CD1 3.5Å; L294-F390 HydrophobicContact CD1-CE1 3.46Å; L294-F390 VanDerWaalsContact CD1-CE1 3.46Å; L294-F390 HydrophobicContact CD1-CG 4.32Å; L294-F390 HydrophobicContact CD1-CZ 4.29Å; L294-F390 HydrophobicContact CG-CE1 4.18Å; L294-P420 HydrophobicContact CD1-CG 4.2Å
295	V	92.5	Very high	89.5	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.4	-43.5	178.2	174.1	0	0	0	0	110.8	F232 I244 L246 L291 G292 W297 M298 F299 F310	F232-V295 HydrophobicContact CB-CG2 4.44Å; F232-V295 HydrophobicContact CD1-CG2 3.64Å; F232-V295 HydrophobicContact CD2-CG2 4.47Å; F232-V295 HydrophobicContact CE1-CG2 3.99Å; F232-V295 HydrophobicContact CG-CG2 3.94Å; I244-V295 HydrophobicContact CD1-CG1 4.08Å; L246-V295 HydrophobicContact CD1-CB 4.26Å; L246-V295 HydrophobicContact CD1-CG1 4.46Å; L246-V295 HydrophobicContact CD1-CG2 4.31Å; L246-V295 HydrophobicContact CD2-CG2 4.28Å; L291-V295 HydrophobicContact CD1-CG2 4.08Å; L291-V295 HydrophobicContact CG-CG2 4.26Å; L291-V295 WeakPolarHBondContact O-CB 3.39Å; L291-V295 VanDerWaalsContact O-CG2 3.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.21Å; L291-V295 PolarHBondContact O-N 2.64Å; G292-V295 PolarHBondContact O-N 3.19Å; V295-W297 VanDerWaalsContact C-N 3.34Å; V295-W297 PolarHBondContact O-N 2.86Å; V295-M298 HydrophobicContact CB-CE 4.17Å; V295-M298 HydrophobicContact CG2-CE 3.75Å; V295-M298 PolarHBondContact O-N 3.39Å; V295-F299 HydrophobicContact CG1-CD2 4.01Å; V295-F299 HydrophobicContact CG1-CE2 4.18Å; V295-F299 WeakPolarHBondContact O-CD2 3.33Å; V295-F299 PolarHBondContact O-N 2.85Å; V295-F310 HydrophobicContact CG1-CZ 4.19Å
296	E	91.8	Very high	89	Confident	19 Å²	19	22.3 Å²	22.3	9%	0.089	10%	0.102	C	C	.	.	H	α-helix	trans	-57.1	-47.8	175.7	-174.6	168.9	163.2	0	0	111.8	G292 M298 F299 E300 R306 F310 R312	G292-E296 WeakPolarHBondContact O-CB 3.13Å; G292-E296 PolarHBondContact O-N 2.82Å; E296-M298 VanDerWaalsContact C-N 3.33Å; E296-M298 PolarHBondContact O-N 2.89Å; E296-F299 WeakPolarHBondContact O-CB 3.42Å; E296-F299 PolarHBondContact O-N 3.06Å; E296-E300 WeakPolarHBondContact O-CG 3.44Å; E296-E300 PolarHBondContact O-N 2.97Å; E296-R306 IonicContact OE1-CZ 2.97Å; E296-R306 IonicContact OE1-NE 3.79Å; E296-R306 PolarHBondContact OE1-NE 3.23Å; E296-R306 IonicContact OE1-NH1 3.79Å; E296-R306 IonicContact OE1-NH2 2.94Å; E296-R306 PolarHBondContact OE1-NH2 2.94Å; E296-R306 IonicContact OE2-CZ 2.99Å; E296-R306 IonicContact OE2-NE 3.84Å; E296-R306 IonicContact OE2-NH2 2.87Å; E296-R306 PolarHBondContact OE2-NH2 2.8Å; E296-F310 HydrophobicContact CB-CE1 3.91Å; E296-F310 HydrophobicContact CB-CZ 4.49Å; E296-F310 HydrophobicContact CG-CD1 4.31Å; E296-F310 HydrophobicContact CG-CE1 3.86Å; E296-R312 IonicContact OE2-NE 3.6Å; E296-R312 PolarHBondContact OE2-NE 3.32Å
297	W	92.2	Very high	88.5	Confident	12 Å²	12	29.8 Å²	29.8	5%	0.045	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-41	175.7	180	75.9	0	0	0	113	N293 L294 V295 F299 E300 L301 F390 E391 S394 L398 E418 P420	N293-W297 VanDerWaalsContact O-CB 3.29Å; N293-W297 WeakPolarHBondContact O-CB 3.37Å; N293-W297 PolarHBondContact O-N 3.32Å; L294-W297 PolarHBondContact O-N 3.43Å; V295-W297 VanDerWaalsContact C-N 3.34Å; V295-W297 PolarHBondContact O-N 2.86Å; W297-F299 VanDerWaalsContact C-N 3.3Å; W297-F299 PolarHBondContact O-N 2.89Å; W297-E300 PolarHBondContact O-N 2.81Å; W297-L301 HydrophobicContact CD2-CD1 3.89Å; W297-L301 HydrophobicContact CD2-CG 4.43Å; W297-L301 HydrophobicContact CE3-CD1 3.8Å; W297-L301 HydrophobicContact CH2-CD1 3.28Å; W297-L301 HydrophobicContact CH2-CG 4.48Å; W297-L301 HydrophobicContact CZ2-CD1 3.41Å; W297-L301 VanDerWaalsContact CZ2-CD1 3.41Å; W297-L301 HydrophobicContact CZ2-CD2 4.48Å; W297-L301 HydrophobicContact CZ2-CG 4.19Å; W297-L301 HydrophobicContact CZ3-CD1 3.48Å; W297-L301 VanDerWaalsContact CZ3-CD1 3.48Å; W297-L301 PolarHBondContact O-N 3.34Å; W297-F390 HydrophobicContact CE3-CD1 4.27Å; W297-F390 AromaticContact CE3-CE1 3.94Å; W297-F390 HydrophobicContact CE3-CE1 3.94Å; W297-F390 HydrophobicContact CH2-CD1 4.44Å; W297-F390 AromaticContact CZ3-CD1 3.69Å; W297-F390 HydrophobicContact CZ3-CD1 3.69Å; W297-F390 AromaticContact CZ3-CE1 3.47Å; W297-F390 HydrophobicContact CZ3-CE1 3.47Å; W297-F390 VanDerWaalsContact CZ3-CE1 3.47Å; W297-E391 HydrophobicContact CH2-CB 4.19Å; W297-E391 HydrophobicContact CH2-CG 4.3Å; W297-E391 HydrophobicContact CZ2-CB 4.14Å; W297-E391 HydrophobicContact CZ2-CG 4.14Å; W297-S394 WeakPolarHBondContact CH2-OG 3.46Å; W297-S394 VanDerWaalsContact CZ3-OG 3.28Å; W297-S394 WeakPolarHBondContact CZ3-OG 3.47Å; W297-L398 HydrophobicContact CZ3-CD1 4.18Å; W297-E418 PolarHBondContact NE1-O 2.64Å; W297-P420 HydrophobicContact CB-CB 4.18Å; W297-P420 HydrophobicContact CD2-CG 4.1Å; W297-P420 HydrophobicContact CE3-CG 4.39Å; W297-P420 HydrophobicContact CG-CB 4.24Å; W297-P420 HydrophobicContact CG-CG 4.17Å
298	M	92	Very high	88.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-34.3	174.7	-69.2	-173.2	-71.4	0	0	112.8	I229 F232 M233 L294 V295 E296 N302 F390 L398	I229-M298 HydrophobicContact CG1-SD 4.24Å; I229-M298 HydrophobicContact CG2-SD 4.18Å; F232-M298 HydrophobicContact CB-CE 4.03Å; F232-M298 HydrophobicContact CD2-CE 4.12Å; F232-M298 HydrophobicContact CG-CE 4.21Å; M233-M298 HydrophobicContact CE-CB 3.39Å; M233-M298 HydrophobicContact CE-CE 3.96Å; M233-M298 HydrophobicContact CE-CG 4.28Å; M233-M298 HydrophobicContact CE-SD 4.01Å; M233-M298 HydrophobicContact SD-CB 4.23Å; L294-M298 WeakPolarHBondContact O-CG 3.29Å; L294-M298 PolarHBondContact O-N 2.77Å; V295-M298 HydrophobicContact CB-CE 4.17Å; V295-M298 HydrophobicContact CG2-CE 3.75Å; V295-M298 PolarHBondContact O-N 3.39Å; E296-M298 VanDerWaalsContact C-N 3.33Å; E296-M298 PolarHBondContact O-N 2.89Å; M298-N302 PolarHBondContact O-N 3.46Å; M298-N302 PolarHBondContact O-ND2 2.9Å; M298-N302 VanDerWaalsContact O-ND2 3.08Å; M298-F390 HydrophobicContact CG-CE1 4.36Å; M298-F390 HydrophobicContact SD-CE1 4.49Å; M298-F390 HydrophobicContact SD-CZ 4.1Å; M298-L398 HydrophobicContact CB-CD1 4.45Å; M298-L398 HydrophobicContact CB-CD2 4.14Å; M298-L398 HydrophobicContact CG-CD1 4.05Å; M298-L398 HydrophobicContact CG-CD2 4.1Å; M298-L398 HydrophobicContact SD-CD2 4.21Å
299	F	90.6	Very high	87.7	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-73.6	-38.8	177	-92.9	-94.7	0	0	0	112.6	M233 I244 V295 E296 W297 N302 R304 G305 F310	M233-F299 HydrophobicContact CE-CD2 3.59Å; M233-F299 HydrophobicContact CE-CE2 3.27Å; M233-F299 HydrophobicContact CE-CZ 4.19Å; M233-F299 HydrophobicContact SD-CD2 4.3Å; M233-F299 HydrophobicContact SD-CE2 3.9Å; M233-F299 HydrophobicContact SD-CZ 4.3Å; I244-F299 HydrophobicContact CD1-CD2 4.07Å; I244-F299 HydrophobicContact CD1-CE1 4.35Å; I244-F299 HydrophobicContact CD1-CE2 3.04Å; I244-F299 HydrophobicContact CD1-CZ 3.24Å; I244-F299 HydrophobicContact CG1-CE2 4.11Å; I244-F299 HydrophobicContact CG1-CZ 4.01Å; V295-F299 HydrophobicContact CG1-CD2 4.01Å; V295-F299 HydrophobicContact CG1-CE2 4.18Å; V295-F299 WeakPolarHBondContact O-CD2 3.33Å; V295-F299 PolarHBondContact O-N 2.85Å; E296-F299 WeakPolarHBondContact O-CB 3.42Å; E296-F299 PolarHBondContact O-N 3.06Å; W297-F299 VanDerWaalsContact C-N 3.3Å; W297-F299 PolarHBondContact O-N 2.89Å; F299-N302 PolarHBondContact O-N 3.12Å; F299-R304 HydrophobicContact CD1-CB 3.78Å; F299-R304 HydrophobicContact CE1-CB 4.4Å; F299-R304 CarbonylContact O-C 3.23Å; F299-R304 VanDerWaalsContact O-C 3.23Å; F299-R304 WeakPolarHBondContact O-CA 3.02Å; F299-R304 PolarHBondContact O-N 3.27Å; F299-G305 PolarHBondContact O-N 3.42Å; F299-F310 HydrophobicContact CB-CD2 3.79Å; F299-F310 HydrophobicContact CB-CE2 3.91Å; F299-F310 HydrophobicContact CB-CG 4.12Å; F299-F310 HydrophobicContact CB-CZ 4.34Å; F299-F310 AromaticContact CD1-CD2 3.4Å; F299-F310 HydrophobicContact CD1-CD2 3.4Å; F299-F310 VanDerWaalsContact CD1-CD2 3.4Å; F299-F310 AromaticContact CD1-CE2 3.78Å; F299-F310 HydrophobicContact CD1-CE2 3.78Å; F299-F310 HydrophobicContact CD1-CG 4.31Å; F299-F310 AromaticContact CD2-CD2 3.99Å; F299-F310 HydrophobicContact CD2-CD2 3.99Å; F299-F310 AromaticContact CD2-CE2 3.47Å; F299-F310 HydrophobicContact CD2-CE2 3.47Å; F299-F310 VanDerWaalsContact CD2-CE2 3.47Å; F299-F310 HydrophobicContact CD2-CZ 4.14Å; F299-F310 HydrophobicContact CE1-CD2 4.04Å; F299-F310 HydrophobicContact CE1-CE2 4.25Å; F299-F310 HydrophobicContact CE2-CE2 4.01Å; F299-F310 AromaticContact CG-CD2 3.4Å; F299-F310 HydrophobicContact CG-CD2 3.4Å; F299-F310 VanDerWaalsContact CG-CD2 3.4Å; F299-F310 AromaticContact CG-CE2 3.38Å; F299-F310 HydrophobicContact CG-CE2 3.38Å; F299-F310 HydrophobicContact CG-CG 4.22Å; F299-F310 HydrophobicContact CG-CZ 4.19Å; F299-F310 HydrophobicContact CZ-CE2 4.38Å
300	E	88.5	Confident	87.6	Confident	57 Å²	57	33.4 Å²	33.4	27%	0.266	16%	0.162	S	C	.	.	H	α-helix	trans	-62.1	-44.8	174.4	-70.9	179.6	170.9	0	0	111.8	E296 W297 N302 S303 P417	E296-E300 WeakPolarHBondContact O-CG 3.44Å; E296-E300 PolarHBondContact O-N 2.97Å; W297-E300 PolarHBondContact O-N 2.81Å; E300-N302 VanDerWaalsContact C-N 3.27Å; E300-N302 PolarHBondContact O-N 2.71Å; E300-S303 PolarHBondContact O-N 2.94Å; E300-P417 HydrophobicContact CB-CB 3.89Å; E300-P417 HydrophobicContact CB-CG 4.11Å; E300-P417 WeakPolarHBondContact OE2-CB 3.22Å
301	L	87.1	Confident	87.5	Confident	16 Å²	16	38.9 Å²	38.9	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-40.1	174.8	-82.4	176.4	0	0	0	113.3	W297 S303 L395 L398 P417	W297-L301 HydrophobicContact CD2-CD1 3.89Å; W297-L301 HydrophobicContact CD2-CG 4.43Å; W297-L301 HydrophobicContact CE3-CD1 3.8Å; W297-L301 HydrophobicContact CH2-CD1 3.28Å; W297-L301 HydrophobicContact CH2-CG 4.48Å; W297-L301 HydrophobicContact CZ2-CD1 3.41Å; W297-L301 VanDerWaalsContact CZ2-CD1 3.41Å; W297-L301 HydrophobicContact CZ2-CD2 4.48Å; W297-L301 HydrophobicContact CZ2-CG 4.19Å; W297-L301 HydrophobicContact CZ3-CD1 3.48Å; W297-L301 VanDerWaalsContact CZ3-CD1 3.48Å; W297-L301 PolarHBondContact O-N 3.34Å; L301-S303 PolarHBondContact O-N 3.47Å; L301-L395 HydrophobicContact CD1-CD2 3.92Å; L301-L395 HydrophobicContact CD2-CD2 3.64Å; L301-L395 HydrophobicContact CG-CD2 4.47Å; L301-L398 HydrophobicContact CD1-CD1 3.56Å; L301-P417 HydrophobicContact CD2-CG 3.63Å; L301-P417 HydrophobicContact CG-CG 3.65Å
302	N	85.3	Confident	87.4	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	18.5	-177.7	-72.3	-34.5	0	0	0	113.8	M233 M298 F299 E300 R304 L398 D402 F403	M233-N302 PolarHBondContact SD-ND2 3.36Å; M298-N302 PolarHBondContact O-N 3.46Å; M298-N302 PolarHBondContact O-ND2 2.9Å; M298-N302 VanDerWaalsContact O-ND2 3.08Å; F299-N302 PolarHBondContact O-N 3.12Å; E300-N302 VanDerWaalsContact C-N 3.27Å; E300-N302 PolarHBondContact O-N 2.71Å; N302-R304 PolarHBondContact O-N 2.96Å; N302-L398 PolarHBondContact OD1-O 3.19Å; N302-D402 PolarHBondContact OD1-N 2.9Å; N302-F403 PolarHBondContact O-N 2.75Å
303	S	80.7	Confident	87.1	Confident	15 Å²	15	44.6 Å²	44.6	11%	0.105	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	27.3	179.8	-40.1	0	0	0	0	113	E300 L301 D402 R408	E300-S303 PolarHBondContact O-N 2.94Å; L301-S303 PolarHBondContact O-N 3.47Å; S303-D402 PolarHBondContact OG-OD1 3.32Å; S303-R408 PolarHBondContact OG-NH2 3.32Å
304	R	81	Confident	86.7	Confident	30 Å²	30	44.2 Å²	44.2	11%	0.113	21%	0.21	C	C	.	.			trans	-124.7	31.2	179.7	-68.3	178.8	177.6	143.7	9.1	111	R238 F242 F299 N302 F310 Y401 F403	R238-R304 VanDerWaalsContact NH1-CZ 3.34Å; R238-R304 VanDerWaalsContact NH2-NH1 3.17Å; F242-R304 HydrophobicContact CD1-CG 4.39Å; F242-R304 HydrophobicContact CE1-CG 4.17Å; F299-R304 HydrophobicContact CD1-CB 3.78Å; F299-R304 HydrophobicContact CE1-CB 4.4Å; F299-R304 CarbonylContact O-C 3.23Å; F299-R304 VanDerWaalsContact O-C 3.23Å; F299-R304 WeakPolarHBondContact O-CA 3.02Å; F299-R304 PolarHBondContact O-N 3.27Å; N302-R304 PolarHBondContact O-N 2.96Å; R304-F310 VanDerWaalsContact O-CB 3.29Å; R304-F310 WeakPolarHBondContact O-CB 3.47Å; R304-Y401 PolarHBondContact NH1-O 2.7Å; R304-F403 HydrophobicContact CG-CB 4.33Å
305	G	81.9	Confident	86.1	Confident	8 Å²	8	46.2 Å²	46.2	8%	0.082	22%	0.218	C	C	.	.	S	Bend	trans	-68.2	-169.8	-178.8	0	0	0	0	0	113.9	F299 E307 H308 F310	F299-G305 PolarHBondContact O-N 3.42Å; G305-E307 PolarHBondContact O-N 3.24Å; G305-H308 PolarHBondContact O-N 3.33Å; G305-F310 WeakPolarHBondContact O-CB 3.5Å; G305-F310 PolarHBondContact O-N 3.03Å
306	R	82.3	Confident	85.6	Confident	149 Å²	149	48 Å²	48	56%	0.562	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-56.6	-34.9	-179.2	-69.2	-171.7	179.6	-178.2	4	113.5	E296 H308 G309 F310	E296-R306 IonicContact OE1-CZ 2.97Å; E296-R306 IonicContact OE1-NE 3.79Å; E296-R306 PolarHBondContact OE1-NE 3.23Å; E296-R306 IonicContact OE1-NH1 3.79Å; E296-R306 IonicContact OE1-NH2 2.94Å; E296-R306 PolarHBondContact OE1-NH2 2.94Å; E296-R306 IonicContact OE2-CZ 2.99Å; E296-R306 IonicContact OE2-NE 3.84Å; E296-R306 IonicContact OE2-NH2 2.87Å; E296-R306 PolarHBondContact OE2-NH2 2.8Å; R306-H308 PolarHBondContact O-N 2.85Å; R306-G309 PolarHBondContact O-N 3.21Å; R306-F310 HydrophobicContact CG-CD1 4.5Å
307	E	81.8	Confident	85.3	Confident	186 Å²	186	53.8 Å²	53.8	87%	0.869	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-57.6	-29.8	176.1	-63.2	-175.8	166.2	0	0	112.8	G305	G305-E307 PolarHBondContact O-N 3.24Å
308	H	81.9	Confident	85	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.486	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-95.6	9.6	179.3	-63	78.8	0	0	0	112.7	F242 G305 R306	F242-H308 VanDerWaalsContact CD2-O 3.26Å; F242-H308 WeakPolarHBondContact CD2-O 3.2Å; G305-H308 PolarHBondContact O-N 3.33Å; R306-H308 PolarHBondContact O-N 2.85Å
309	G	84.3	Confident	84.7	Confident	31 Å²	31	57.5 Å²	57.5	32%	0.32	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	18.6	176.9	0	0	0	0	0	115.5	R306 R311	R306-G309 PolarHBondContact O-N 3.21Å; G309-R311 PolarHBondContact O-N 3.12Å
310	F	88.2	Confident	84.6	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.035	30%	0.301	C	S	.	.			trans	-61.8	133	170.5	175.3	-99.6	0	0	0	111.7	F242 I244 V295 E296 F299 R304 G305 R306 R312	F242-F310 HydrophobicContact CB-CB 4.48Å; F242-F310 WeakPolarHBondContact O-CD2 3.36Å; I244-F310 HydrophobicContact CD1-CE2 4.49Å; I244-F310 HydrophobicContact CG1-CE2 4.35Å; V295-F310 HydrophobicContact CG1-CZ 4.19Å; E296-F310 HydrophobicContact CB-CE1 3.91Å; E296-F310 HydrophobicContact CB-CZ 4.49Å; E296-F310 HydrophobicContact CG-CD1 4.31Å; E296-F310 HydrophobicContact CG-CE1 3.86Å; F299-F310 HydrophobicContact CB-CD2 3.79Å; F299-F310 HydrophobicContact CB-CE2 3.91Å; F299-F310 HydrophobicContact CB-CG 4.12Å; F299-F310 HydrophobicContact CB-CZ 4.34Å; F299-F310 AromaticContact CD1-CD2 3.4Å; F299-F310 HydrophobicContact CD1-CD2 3.4Å; F299-F310 VanDerWaalsContact CD1-CD2 3.4Å; F299-F310 AromaticContact CD1-CE2 3.78Å; F299-F310 HydrophobicContact CD1-CE2 3.78Å; F299-F310 HydrophobicContact CD1-CG 4.31Å; F299-F310 AromaticContact CD2-CD2 3.99Å; F299-F310 HydrophobicContact CD2-CD2 3.99Å; F299-F310 AromaticContact CD2-CE2 3.47Å; F299-F310 HydrophobicContact CD2-CE2 3.47Å; F299-F310 VanDerWaalsContact CD2-CE2 3.47Å; F299-F310 HydrophobicContact CD2-CZ 4.14Å; F299-F310 HydrophobicContact CE1-CD2 4.04Å; F299-F310 HydrophobicContact CE1-CE2 4.25Å; F299-F310 HydrophobicContact CE2-CE2 4.01Å; F299-F310 AromaticContact CG-CD2 3.4Å; F299-F310 HydrophobicContact CG-CD2 3.4Å; F299-F310 VanDerWaalsContact CG-CD2 3.4Å; F299-F310 AromaticContact CG-CE2 3.38Å; F299-F310 HydrophobicContact CG-CE2 3.38Å; F299-F310 HydrophobicContact CG-CG 4.22Å; F299-F310 HydrophobicContact CG-CZ 4.19Å; F299-F310 HydrophobicContact CZ-CE2 4.38Å; R304-F310 VanDerWaalsContact O-CB 3.29Å; R304-F310 WeakPolarHBondContact O-CB 3.47Å; G305-F310 WeakPolarHBondContact O-CB 3.5Å; G305-F310 PolarHBondContact O-N 3.03Å; R306-F310 HydrophobicContact CG-CD1 4.5Å; F310-R312 HydrophobicContact CE1-CG 4Å; F310-R312 HydrophobicContact CZ-CG 4.16Å
311	R	88.9	Confident	84.6	Confident	139 Å²	139	61.5 Å²	61.5	53%	0.525	31%	0.311	S	S	.	.			trans	-139.1	140.8	175.9	-64.5	-169.5	-65.9	-147.3	0.1	110.7	A243 I244 G309	A243-R311 WeakPolarHBondContact CA-O 3.5Å; A243-R311 HydrophobicContact CB-CB 4.38Å; I244-R311 PolarHBondContact N-O 3.18Å; I244-R311 VanDerWaalsContact N-O 3.15Å; G309-R311 PolarHBondContact O-N 3.12Å
312	R	88.9	Confident	84.7	Confident	56 Å²	56	63.5 Å²	63.5	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.4	168.4	-62.3	-173.6	-76.7	130.2	1.2	107.9	F249 E251 E296 F310	F249-R312 HydrophobicContact CB-CB 4.45Å; F249-R312 HydrophobicContact CD1-CB 4.16Å; F249-R312 WeakPolarHBondContact CD1-O 3.37Å; F249-R312 PolarHBondContact O-NH1 3.13Å; E251-R312 VanDerWaalsContact CG-NH1 3.34Å; E251-R312 IonicContact OE1-CZ 2.64Å; E251-R312 IonicContact OE1-NH1 3.42Å; E251-R312 PolarHBondContact OE1-NH1 3.08Å; E251-R312 IonicContact OE1-NH2 3.51Å; E251-R312 PolarHBondContact OE1-NH2 3.07Å; E251-R312 VanDerWaalsContact OE1-NH2 3.17Å; E296-R312 IonicContact OE2-NE 3.6Å; E296-R312 PolarHBondContact OE2-NE 3.32Å; F310-R312 HydrophobicContact CE1-CG 4Å; F310-R312 HydrophobicContact CZ-CG 4.16Å
313	E	85.1	Confident	84.9	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.4	175	-73.1	-179.3	178.8	0	0	109.7	A243 I244 G245 L246	A243-E313 VanDerWaalsContact CB-CD 3.47Å; A243-E313 HydrophobicContact CB-CG 3.95Å; A243-E313 WeakPolarHBondContact CB-OE1 3.06Å; I244-E313 PolarHBondContact O-N 3.45Å; G245-E313 CarbonylContact C-O 3.56Å; G245-E313 VanDerWaalsContact CA-O 3.31Å; G245-E313 WeakPolarHBondContact CA-O 3.34Å; L246-E313 PolarHBondContact N-O 3.42Å
314	G	83.2	Confident	85.4	Confident	29 Å²	29	66.7 Å²	66.7	30%	0.299	33%	0.334	S	S	.	.			trans	-64.8	170.3	165.7	0	0	0	0	0	111.3	L246 G316	L246-G314 WeakPolarHBondContact O-CA 2.99Å; G314-G316 PolarHBondContact O-N 3.42Å
315	Y	80.8	Confident	85.9	Confident	41 Å²	41	69.5 Å²	69.5	16%	0.161	36%	0.355	C	S	.	.			trans	-69.3	94.8	168.9	-62.5	-39.1	0	0	0	110.6	Y188 G245 H247 F319 V344 V348	Y188-Y315 HydrophobicContact CE1-CD2 4.08Å; Y188-Y315 HydrophobicContact CE2-CE2 4.27Å; Y188-Y315 AromaticContact CZ-CD2 3.69Å; Y188-Y315 AromaticContact CZ-CE2 3.86Å; Y188-Y315 WeakPolarHBondContact OH-CD2 3.15Å; Y188-Y315 WeakPolarHBondContact OH-CE2 3.14Å; G245-Y315 VanDerWaalsContact C-CE1 3.48Å; G245-Y315 VanDerWaalsContact O-CE1 3.29Å; G245-Y315 WeakPolarHBondContact O-CE1 3.37Å; H247-Y315 HydrophobicContact CB-CD2 4.13Å; H247-Y315 HydrophobicContact CB-CE2 3.54Å; Y315-F319 HydrophobicContact CD1-CB 4.45Å; Y315-F319 AromaticContact CD1-CD1 3.21Å; Y315-F319 HydrophobicContact CD1-CD1 3.21Å; Y315-F319 HydrophobicContact CD1-CD2 4.01Å; Y315-F319 AromaticContact CD1-CE1 3.22Å; Y315-F319 HydrophobicContact CD1-CE1 3.22Å; Y315-F319 HydrophobicContact CD1-CE2 4.05Å; Y315-F319 AromaticContact CD1-CG 3.62Å; Y315-F319 HydrophobicContact CD1-CG 3.62Å; Y315-F319 AromaticContact CD1-CZ 3.67Å; Y315-F319 HydrophobicContact CD1-CZ 3.67Å; Y315-F319 HydrophobicContact CD2-CE1 4.32Å; Y315-F319 AromaticContact CE1-CD1 3.85Å; Y315-F319 HydrophobicContact CE1-CD1 3.85Å; Y315-F319 HydrophobicContact CE1-CD2 4.28Å; Y315-F319 AromaticContact CE1-CE1 3.35Å; Y315-F319 HydrophobicContact CE1-CE1 3.35Å; Y315-F319 AromaticContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CG 4.28Å; Y315-F319 AromaticContact CE1-CZ 3.36Å; Y315-F319 HydrophobicContact CE1-CZ 3.36Å; Y315-F319 HydrophobicContact CE2-CE1 4.42Å; Y315-F319 AromaticContact CG-CD1 3.65Å; Y315-F319 HydrophobicContact CG-CD1 3.65Å; Y315-F319 AromaticContact CG-CE1 3.77Å; Y315-F319 HydrophobicContact CG-CE1 3.77Å; Y315-F319 HydrophobicContact CG-CG 4.36Å; Y315-F319 AromaticContact CZ-CE1 4Å; Y315-V344 HydrophobicContact CD2-CG1 4.47Å; Y315-V344 HydrophobicContact CE2-CG1 3.53Å; Y315-V348 HydrophobicContact CE2-CG2 4.32Å
316	G	81.2	Confident	86.2	Confident	39 Å²	39	69.9 Å²	69.9	40%	0.402	36%	0.357	S	S	.	.			trans	-81	177.8	171.9	0	0	0	0	0	113.1	G314 L318 F319 T320	G314-G316 PolarHBondContact O-N 3.42Å; G316-L318 PolarHBondContact O-N 2.65Å; G316-F319 PolarHBondContact O-N 3.04Å; G316-F319 VanDerWaalsContact O-N 3.14Å; G316-T320 PolarHBondContact O-N 2.8Å; G316-T320 VanDerWaalsContact O-N 3.15Å; G316-T320 PolarHBondContact O-OG1 3.04Å
317	I	85	Confident	86.6	Confident	139 Å²	139	64.5 Å²	64.5	71%	0.713	34%	0.338	S	S	*	.	H	α-helix	trans	-53.6	-40.5	172.8	-74.7	163.7	0	0	0	111.2	F319 T320 I321	I317-F319 PolarHBondContact O-N 3.05Å; I317-T320 WeakPolarHBondContact O-CB 3.27Å; I317-T320 PolarHBondContact O-N 2.97Å; I317-I321 HydrophobicContact CG2-CD1 3.65Å; I317-I321 HydrophobicContact CG2-CG1 4.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.1Å; I317-I321 PolarHBondContact O-N 3.46Å
318	L	85.7	Confident	87	Confident	87 Å²	87	59.3 Å²	59.3	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-39.7	-179.3	-171.5	64.6	0	0	0	112.6	Q239 G316 T320 I321 K322	Q239-L318 VanDerWaalsContact OE1-CG 3.24Å; G316-L318 PolarHBondContact O-N 2.65Å; L318-T320 VanDerWaalsContact C-N 3.35Å; L318-I321 PolarHBondContact O-N 2.96Å; L318-K322 HydrophobicContact CG-CD 4.5Å; L318-K322 WeakPolarHBondContact O-CB 3.48Å; L318-K322 WeakPolarHBondContact O-CG 3.5Å; L318-K322 PolarHBondContact O-N 3.08Å
319	F	86.2	Confident	87.3	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-42.1	174.8	178.6	-95.8	0	0	0	111.1	R237 Y315 G316 I317 K322 T323 W341 V344	R237-F319 HydrophobicContact CG-CE2 4.47Å; Y315-F319 HydrophobicContact CD1-CB 4.45Å; Y315-F319 AromaticContact CD1-CD1 3.21Å; Y315-F319 HydrophobicContact CD1-CD1 3.21Å; Y315-F319 HydrophobicContact CD1-CD2 4.01Å; Y315-F319 AromaticContact CD1-CE1 3.22Å; Y315-F319 HydrophobicContact CD1-CE1 3.22Å; Y315-F319 HydrophobicContact CD1-CE2 4.05Å; Y315-F319 AromaticContact CD1-CG 3.62Å; Y315-F319 HydrophobicContact CD1-CG 3.62Å; Y315-F319 AromaticContact CD1-CZ 3.67Å; Y315-F319 HydrophobicContact CD1-CZ 3.67Å; Y315-F319 HydrophobicContact CD2-CE1 4.32Å; Y315-F319 AromaticContact CE1-CD1 3.85Å; Y315-F319 HydrophobicContact CE1-CD1 3.85Å; Y315-F319 HydrophobicContact CE1-CD2 4.28Å; Y315-F319 AromaticContact CE1-CE1 3.35Å; Y315-F319 HydrophobicContact CE1-CE1 3.35Å; Y315-F319 AromaticContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CG 4.28Å; Y315-F319 AromaticContact CE1-CZ 3.36Å; Y315-F319 HydrophobicContact CE1-CZ 3.36Å; Y315-F319 HydrophobicContact CE2-CE1 4.42Å; Y315-F319 AromaticContact CG-CD1 3.65Å; Y315-F319 HydrophobicContact CG-CD1 3.65Å; Y315-F319 AromaticContact CG-CE1 3.77Å; Y315-F319 HydrophobicContact CG-CE1 3.77Å; Y315-F319 HydrophobicContact CG-CG 4.36Å; Y315-F319 AromaticContact CZ-CE1 4Å; G316-F319 PolarHBondContact O-N 3.04Å; G316-F319 VanDerWaalsContact O-N 3.14Å; I317-F319 PolarHBondContact O-N 3.05Å; F319-K322 PolarHBondContact O-N 3.26Å; F319-T323 HydrophobicContact CD1-CG2 3.94Å; F319-T323 HydrophobicContact CD2-CG2 4.47Å; F319-T323 HydrophobicContact CE1-CG2 3.48Å; F319-T323 VanDerWaalsContact CE1-CG2 3.48Å; F319-T323 HydrophobicContact CE2-CG2 4.06Å; F319-T323 HydrophobicContact CG-CG2 4.42Å; F319-T323 HydrophobicContact CZ-CG2 3.54Å; F319-T323 WeakPolarHBondContact O-CB 3.37Å; F319-T323 VanDerWaalsContact O-CG2 3.28Å; F319-T323 WeakPolarHBondContact O-CG2 3.13Å; F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.25Å; F319-W341 HydrophobicContact CE1-CZ3 4.5Å; F319-V344 HydrophobicContact CE1-CG2 4.12Å; F319-V344 HydrophobicContact CZ-CG2 3.84Å
320	T	88.1	Confident	87.5	Confident	50 Å²	50	59.8 Å²	59.8	31%	0.307	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-42.3	177.5	-53.9	0	0	0	0	111.8	G316 I317 L318 T323 I324 W341	G316-T320 PolarHBondContact O-N 2.8Å; G316-T320 VanDerWaalsContact O-N 3.15Å; G316-T320 PolarHBondContact O-OG1 3.04Å; I317-T320 WeakPolarHBondContact O-CB 3.27Å; I317-T320 PolarHBondContact O-N 2.97Å; L318-T320 VanDerWaalsContact C-N 3.35Å; T320-T323 VanDerWaalsContact C-OG1 3.29Å; T320-T323 WeakPolarHBondContact CA-OG1 2.94Å; T320-T323 PolarHBondContact O-OG1 3.33Å; T320-I324 HydrophobicContact CG2-CD1 4.15Å; T320-I324 WeakPolarHBondContact O-CD1 3.27Å; T320-I324 VanDerWaalsContact O-CG1 3.23Å; T320-I324 WeakPolarHBondContact O-CG1 3.12Å; T320-I324 PolarHBondContact O-N 2.89Å; T320-I324 VanDerWaalsContact O-N 3.16Å; T320-W341 HydrophobicContact CG2-CH2 4.06Å; T320-W341 HydrophobicContact CG2-CZ2 3.76Å
321	I	90	Very high	87.4	Confident	92 Å²	92	68.3 Å²	68.3	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-45.9	175.7	-67.6	168.8	0	0	0	110.2	I317 L318 T323 I324 V325	I317-I321 HydrophobicContact CG2-CD1 3.65Å; I317-I321 HydrophobicContact CG2-CG1 4.28Å; I317-I321 WeakPolarHBondContact O-CG1 3.1Å; I317-I321 PolarHBondContact O-N 3.46Å; L318-I321 PolarHBondContact O-N 2.96Å; I321-T323 PolarHBondContact O-N 3.46Å; I321-I324 PolarHBondContact O-N 2.81Å; I321-V325 HydrophobicContact CG2-CG2 4.29Å; I321-V325 WeakPolarHBondContact O-CB 3.26Å; I321-V325 VanDerWaalsContact O-CG2 3.27Å; I321-V325 WeakPolarHBondContact O-CG2 3.27Å; I321-V325 PolarHBondContact O-N 3.02Å
322	K	89.2	Confident	87.4	Confident	59 Å²	59	66.3 Å²	66.3	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-41.6	-179.5	-80.1	179.5	173.7	172.3	0	113.3	R238 L318 F319 V325 A326 W339	R238-K322 PolarHBondContact O-NZ 3.06Å; L318-K322 HydrophobicContact CG-CD 4.5Å; L318-K322 WeakPolarHBondContact O-CB 3.48Å; L318-K322 WeakPolarHBondContact O-CG 3.5Å; L318-K322 PolarHBondContact O-N 3.08Å; F319-K322 PolarHBondContact O-N 3.26Å; K322-V325 PolarHBondContact O-N 3.25Å; K322-A326 WeakPolarHBondContact O-CB 3.33Å; K322-A326 PolarHBondContact O-N 3.47Å; K322-W339 HydrophobicContact CB-CZ2 4.31Å
323	T	88.8	Confident	87.4	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-47.5	175.1	44.5	0	0	0	0	111.1	F319 T320 I321 V325 A326 E327 W341	F319-T323 HydrophobicContact CD1-CG2 3.94Å; F319-T323 HydrophobicContact CD2-CG2 4.47Å; F319-T323 HydrophobicContact CE1-CG2 3.48Å; F319-T323 VanDerWaalsContact CE1-CG2 3.48Å; F319-T323 HydrophobicContact CE2-CG2 4.06Å; F319-T323 HydrophobicContact CG-CG2 4.42Å; F319-T323 HydrophobicContact CZ-CG2 3.54Å; F319-T323 WeakPolarHBondContact O-CB 3.37Å; F319-T323 VanDerWaalsContact O-CG2 3.28Å; F319-T323 WeakPolarHBondContact O-CG2 3.13Å; F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.25Å; T320-T323 VanDerWaalsContact C-OG1 3.29Å; T320-T323 WeakPolarHBondContact CA-OG1 2.94Å; T320-T323 PolarHBondContact O-OG1 3.33Å; I321-T323 PolarHBondContact O-N 3.46Å; T323-V325 PolarHBondContact O-N 3.24Å; T323-A326 PolarHBondContact O-N 3.23Å; T323-E327 WeakPolarHBondContact O-CG 3.28Å; T323-E327 PolarHBondContact O-N 2.94Å; T323-W341 HydrophobicContact CG2-CZ2 4.35Å; T323-W341 VanDerWaalsContact OG1-CE2 3.3Å; T323-W341 WeakPolarHBondContact OG1-CZ2 3.32Å
324	I	90.9	Very high	87.3	Confident	84 Å²	84	76.8 Å²	76.8	43%	0.431	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-46.5	175.9	-67.3	166.8	0	0	0	110.7	T320 I321 A326 E327 V328	T320-I324 HydrophobicContact CG2-CD1 4.15Å; T320-I324 WeakPolarHBondContact O-CD1 3.27Å; T320-I324 VanDerWaalsContact O-CG1 3.23Å; T320-I324 WeakPolarHBondContact O-CG1 3.12Å; T320-I324 PolarHBondContact O-N 2.89Å; T320-I324 VanDerWaalsContact O-N 3.16Å; I321-I324 PolarHBondContact O-N 2.81Å; I324-A326 VanDerWaalsContact C-N 3.35Å; I324-A326 PolarHBondContact O-N 2.92Å; I324-E327 PolarHBondContact O-N 3.2Å; I324-V328 HydrophobicContact CG2-CG2 4.3Å; I324-V328 WeakPolarHBondContact O-CB 3.44Å; I324-V328 VanDerWaalsContact O-CG2 3.3Å; I324-V328 WeakPolarHBondContact O-CG2 3.2Å; I324-V328 PolarHBondContact O-N 2.64Å
325	V	91	Very high	87.5	Confident	90 Å²	90	77.5 Å²	77.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-43.5	178	170.8	0	0	0	0	111.2	I321 K322 T323 E327 V328 Y329	I321-V325 HydrophobicContact CG2-CG2 4.29Å; I321-V325 WeakPolarHBondContact O-CB 3.26Å; I321-V325 VanDerWaalsContact O-CG2 3.27Å; I321-V325 WeakPolarHBondContact O-CG2 3.27Å; I321-V325 PolarHBondContact O-N 3.02Å; K322-V325 PolarHBondContact O-N 3.25Å; T323-V325 PolarHBondContact O-N 3.24Å; V325-E327 PolarHBondContact O-N 2.88Å; V325-V328 PolarHBondContact O-N 3.35Å; V325-Y329 WeakPolarHBondContact O-CB 3.32Å; V325-Y329 PolarHBondContact O-N 3.49Å
326	A	89.5	Confident	87.7	Confident	16 Å²	16	80 Å²	80	13%	0.132	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-40.9	177.2	0	0	0	0	0	112	K322 T323 I324 S330 W339	K322-A326 WeakPolarHBondContact O-CB 3.33Å; K322-A326 PolarHBondContact O-N 3.47Å; T323-A326 PolarHBondContact O-N 3.23Å; I324-A326 VanDerWaalsContact C-N 3.35Å; I324-A326 PolarHBondContact O-N 2.92Å; A326-S330 WeakPolarHBondContact O-CB 3.18Å; A326-S330 PolarHBondContact O-N 2.85Å; A326-S330 PolarHBondContact O-OG 2.92Å; A326-W339 HydrophobicContact CB-CZ2 4.08Å
327	E	89.3	Confident	88	Confident	35 Å²	35	78.7 Å²	78.7	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-45.7	175.8	-75.2	-169.2	171.8	0	0	112.4	T323 I324 V325 Y329 S330 R331 N340 W341	T323-E327 WeakPolarHBondContact O-CG 3.28Å; T323-E327 PolarHBondContact O-N 2.94Å; I324-E327 PolarHBondContact O-N 3.2Å; V325-E327 PolarHBondContact O-N 2.88Å; E327-Y329 VanDerWaalsContact C-N 3.33Å; E327-Y329 PolarHBondContact O-N 3.26Å; E327-S330 WeakPolarHBondContact CA-OG 3.38Å; E327-S330 PolarHBondContact O-N 2.92Å; E327-S330 PolarHBondContact O-OG 3.22Å; E327-R331 WeakPolarHBondContact O-CG 3.47Å; E327-R331 PolarHBondContact O-N 2.72Å; E327-N340 HydrophobicContact CG-CB 4.23Å; E327-N340 WeakPolarHBondContact OE1-CB 3.37Å; E327-W341 VanDerWaalsContact CD-CD1 3.47Å; E327-W341 WeakPolarHBondContact OE1-CB 3.27Å; E327-W341 VanDerWaalsContact OE1-CD1 3.24Å; E327-W341 PolarHBondContact OE1-N 3.27Å
328	V	90	Very high	87.9	Confident	78 Å²	78	74.5 Å²	74.5	47%	0.473	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-46.1	176.1	171.9	0	0	0	0	110.2	I324 V325 S330 R331 V332	I324-V328 HydrophobicContact CG2-CG2 4.3Å; I324-V328 WeakPolarHBondContact O-CB 3.44Å; I324-V328 VanDerWaalsContact O-CG2 3.3Å; I324-V328 WeakPolarHBondContact O-CG2 3.2Å; I324-V328 PolarHBondContact O-N 2.64Å; V325-V328 PolarHBondContact O-N 3.35Å; V328-S330 VanDerWaalsContact C-N 3.34Å; V328-S330 PolarHBondContact O-N 2.77Å; V328-R331 PolarHBondContact O-N 2.9Å; V328-V332 HydrophobicContact CG1-CG2 4.22Å; V328-V332 WeakPolarHBondContact O-CB 3.41Å; V328-V332 VanDerWaalsContact O-CG2 3.28Å; V328-V332 WeakPolarHBondContact O-CG2 3.23Å; V328-V332 PolarHBondContact O-N 3.41Å
329	Y	89.8	Confident	87.8	Confident	130 Å²	130	70.9 Å²	70.9	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-56.9	-47.5	176	-177.7	-94	0	0	0	111.4	V325 E327 R331 V332 F333 C335	V325-Y329 WeakPolarHBondContact O-CB 3.32Å; V325-Y329 PolarHBondContact O-N 3.49Å; E327-Y329 VanDerWaalsContact C-N 3.33Å; E327-Y329 PolarHBondContact O-N 3.26Å; Y329-R331 PolarHBondContact O-N 3.45Å; Y329-V332 PolarHBondContact O-N 2.84Å; Y329-F333 HydrophobicContact CD1-CD2 4.34Å; Y329-F333 AromaticContact CD2-CD2 3.36Å; Y329-F333 HydrophobicContact CD2-CD2 3.36Å; Y329-F333 AromaticContact CD2-CE2 3.47Å; Y329-F333 HydrophobicContact CD2-CE2 3.47Å; Y329-F333 VanDerWaalsContact CD2-CE2 3.47Å; Y329-F333 HydrophobicContact CE1-CD2 4.24Å; Y329-F333 AromaticContact CE2-CD2 3.22Å; Y329-F333 HydrophobicContact CE2-CD2 3.22Å; Y329-F333 AromaticContact CE2-CE2 3.29Å; Y329-F333 HydrophobicContact CE2-CE2 3.29Å; Y329-F333 HydrophobicContact CE2-CG 4.13Å; Y329-F333 HydrophobicContact CE2-CZ 4.23Å; Y329-F333 AromaticContact CG-CD2 3.93Å; Y329-F333 HydrophobicContact CG-CD2 3.93Å; Y329-F333 HydrophobicContact CG-CE2 4.44Å; Y329-F333 AromaticContact CZ-CD2 3.69Å; Y329-F333 WeakPolarHBondContact O-CD2 3.22Å; Y329-F333 PolarHBondContact O-N 3.43Å; Y329-C335 VanDerWaalsContact CE1-SG 3.51Å
330	S	87.9	Confident	87.9	Confident	15 Å²	15	71.5 Å²	71.5	11%	0.105	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-39.5	178.5	70.3	0	0	0	0	113.2	A326 E327 V328 R334 C335	A326-S330 WeakPolarHBondContact O-CB 3.18Å; A326-S330 PolarHBondContact O-N 2.85Å; A326-S330 PolarHBondContact O-OG 2.92Å; E327-S330 WeakPolarHBondContact CA-OG 3.38Å; E327-S330 PolarHBondContact O-N 2.92Å; E327-S330 PolarHBondContact O-OG 3.22Å; V328-S330 VanDerWaalsContact C-N 3.34Å; V328-S330 PolarHBondContact O-N 2.77Å; S330-R334 WeakPolarHBondContact O-CA 3.48Å; S330-R334 PolarHBondContact O-N 3.3Å; S330-C335 VanDerWaalsContact CB-O 3.27Å; S330-C335 WeakPolarHBondContact CB-O 3.28Å; S330-C335 PolarHBondContact O-N 2.91Å
331	R	86.6	Confident	87.9	Confident	187 Å²	187	70.8 Å²	70.8	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-68.2	-41.2	176	-72.4	178.6	-175.4	165.3	5.9	112.6	E327 V328 Y329	E327-R331 WeakPolarHBondContact O-CG 3.47Å; E327-R331 PolarHBondContact O-N 2.72Å; V328-R331 PolarHBondContact O-N 2.9Å; Y329-R331 PolarHBondContact O-N 3.45Å
332	V	88.9	Confident	87.8	Confident	97 Å²	97	67.1 Å²	67.1	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-70	-51.4	-178.7	171.2	0	0	0	0	110.9	V328 Y329 R334	V328-V332 HydrophobicContact CG1-CG2 4.22Å; V328-V332 WeakPolarHBondContact O-CB 3.41Å; V328-V332 VanDerWaalsContact O-CG2 3.28Å; V328-V332 WeakPolarHBondContact O-CG2 3.23Å; V328-V332 PolarHBondContact O-N 3.41Å; Y329-V332 PolarHBondContact O-N 2.84Å; V332-R334 VanDerWaalsContact C-N 3.33Å
333	F	87.8	Confident	87.7	Confident	132 Å²	132	64.9 Å²	64.9	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-88.1	-0.6	-175.9	-68.4	-76.5	0	0	0	113.9	Y329 C335	Y329-F333 HydrophobicContact CD1-CD2 4.34Å; Y329-F333 AromaticContact CD2-CD2 3.36Å; Y329-F333 HydrophobicContact CD2-CD2 3.36Å; Y329-F333 AromaticContact CD2-CE2 3.47Å; Y329-F333 HydrophobicContact CD2-CE2 3.47Å; Y329-F333 VanDerWaalsContact CD2-CE2 3.47Å; Y329-F333 HydrophobicContact CE1-CD2 4.24Å; Y329-F333 AromaticContact CE2-CD2 3.22Å; Y329-F333 HydrophobicContact CE2-CD2 3.22Å; Y329-F333 AromaticContact CE2-CE2 3.29Å; Y329-F333 HydrophobicContact CE2-CE2 3.29Å; Y329-F333 HydrophobicContact CE2-CG 4.13Å; Y329-F333 HydrophobicContact CE2-CZ 4.23Å; Y329-F333 AromaticContact CG-CD2 3.93Å; Y329-F333 HydrophobicContact CG-CD2 3.93Å; Y329-F333 HydrophobicContact CG-CE2 4.44Å; Y329-F333 AromaticContact CZ-CD2 3.69Å; Y329-F333 WeakPolarHBondContact O-CD2 3.22Å; Y329-F333 PolarHBondContact O-N 3.43Å; F333-C335 PolarHBondContact O-N 2.87Å
334	R	84.5	Confident	87.5	Confident	209 Å²	209	65 Å²	65	79%	0.789	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.7	-178.6	-52.9	179.2	-177.3	173.6	2.5	112.5	S330 V332	S330-R334 WeakPolarHBondContact O-CA 3.48Å; S330-R334 PolarHBondContact O-N 3.3Å; V332-R334 VanDerWaalsContact C-N 3.33Å
335	C	85.8	Confident	87.2	Confident	44 Å²	44	61.2 Å²	61.2	30%	0.297	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-101.4	160.3	176.6	62.6	0	0	0	0	110.2	Y329 S330 F333	Y329-C335 VanDerWaalsContact CE1-SG 3.51Å; S330-C335 VanDerWaalsContact CB-O 3.27Å; S330-C335 WeakPolarHBondContact CB-O 3.28Å; S330-C335 PolarHBondContact O-N 2.91Å; F333-C335 PolarHBondContact O-N 2.87Å
336	Q	86.1	Confident	86.9	Confident	93 Å²	93	58.2 Å²	58.2	44%	0.435	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-69.6	128.6	174.1	173.2	170.6	-16.7	0	0	109.5	Y142	Y142-Q336 HydrophobicContact CD1-CB 4.46Å; Y142-Q336 HydrophobicContact CD1-CG 3.82Å; Y142-Q336 HydrophobicContact CE1-CB 3.69Å; Y142-Q336 HydrophobicContact CE1-CG 3.35Å; Y142-Q336 HydrophobicContact CE2-CB 4.5Å
337	P	86.8	Confident	86.5	Confident	13 Å²	13	57.6 Å²	57.6	8%	0.084	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.9	140.5	171.8	27.7	-31.8	0	0	0	109.9	Y142 W339 N340	Y142-P337 HydrophobicContact CG-CG 4.17Å; P337-W339 VanDerWaalsContact C-N 3.33Å; P337-N340 HydrophobicContact CB-CB 4.48Å; P337-N340 HydrophobicContact CG-CB 4.21Å
338	T	82.7	Confident	85.5	Confident	51 Å²	51	56 Å²	56	31%	0.313	26%	0.258	S	S	.	.	S	Bend	trans	-66.3	-38.5	174.1	43.3	0	0	0	0	111.4	V231 N234 L236	V231-T338 WeakPolarHBondContact CG2-O 3.3Å; N234-T338 WeakPolarHBondContact ND2-CG2 3.49Å; L236-T338 HydrophobicContact CD1-CG2 4.45Å
339	W	84.8	Confident	84.1	Confident	11 Å²	11	54.2 Å²	54.2	4%	0.042	25%	0.245	C	C	.	.	S	Bend	trans	-146.1	154.4	166.3	67.2	89.9	0	0	0	108.4	V231 L236 R237 K322 A326 P337	V231-W339 HydrophobicContact CG1-CB 4.19Å; L236-W339 HydrophobicContact CB-CH2 3.71Å; L236-W339 HydrophobicContact CB-CZ3 3.61Å; L236-W339 WeakPolarHBondContact O-CH2 3.18Å; R237-W339 HydrophobicContact CB-CD2 4.27Å; R237-W339 HydrophobicContact CB-CE3 3.72Å; R237-W339 HydrophobicContact CB-CH2 4.21Å; R237-W339 HydrophobicContact CB-CZ3 3.69Å; R237-W339 HydrophobicContact CG-CD2 4.15Å; R237-W339 HydrophobicContact CG-CE3 4.1Å; R237-W339 HydrophobicContact CG-CZ3 4.42Å; R237-W339 VanDerWaalsContact N-CZ3 3.35Å; K322-W339 HydrophobicContact CB-CZ2 4.31Å; A326-W339 HydrophobicContact CB-CZ2 4.08Å; P337-W339 VanDerWaalsContact C-N 3.33Å
340	N	88.1	Confident	82.3	Confident	15 Å²	15	48.2 Å²	48.2	8%	0.08	22%	0.221	C	C	.	.			trans	-137.3	167	177.9	55.7	-3.8	0	0	0	109.3	D141 E327 P337 E342 Y343 V344	D141-N340 PolarHBondContact O-ND2 3.49Å; D141-N340 VanDerWaalsContact O-ND2 3.07Å; E327-N340 HydrophobicContact CG-CB 4.23Å; E327-N340 WeakPolarHBondContact OE1-CB 3.37Å; P337-N340 HydrophobicContact CB-CB 4.48Å; P337-N340 HydrophobicContact CG-CB 4.21Å; N340-E342 PolarHBondContact O-N 2.91Å; N340-Y343 PolarHBondContact O-N 3.15Å; N340-Y343 VanDerWaalsContact O-N 3.14Å; N340-Y343 WeakPolarHBondContact OD1-CA 3.28Å; N340-Y343 WeakPolarHBondContact OD1-CB 3.23Å; N340-Y343 PolarHBondContact OD1-N 3.16Å; N340-V344 PolarHBondContact O-N 3.33Å; N340-V344 VanDerWaalsContact O-N 3.14Å
341	W	87	Confident	80.1	Confident	36 Å²	36	50.2 Å²	50.2	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-35.8	174.7	-75.1	111.7	0	0	0	111.6	Y188 I189 F319 T320 T323 E327 Y343 V344 E345	Y188-W341 HydrophobicContact CD1-CE3 4.49Å; Y188-W341 AromaticContact CD1-CZ3 3.86Å; Y188-W341 HydrophobicContact CD1-CZ3 3.86Å; Y188-W341 HydrophobicContact CE1-CZ3 4.38Å; Y188-W341 HydrophobicContact CG-CE3 4.27Å; Y188-W341 HydrophobicContact CG-CZ3 4.08Å; I189-W341 HydrophobicContact CD1-CB 3.87Å; I189-W341 HydrophobicContact CG1-CB 4.21Å; F319-W341 HydrophobicContact CE1-CZ3 4.5Å; T320-W341 HydrophobicContact CG2-CH2 4.06Å; T320-W341 HydrophobicContact CG2-CZ2 3.76Å; T323-W341 HydrophobicContact CG2-CZ2 4.35Å; T323-W341 VanDerWaalsContact OG1-CE2 3.3Å; T323-W341 WeakPolarHBondContact OG1-CZ2 3.32Å; E327-W341 VanDerWaalsContact CD-CD1 3.47Å; E327-W341 WeakPolarHBondContact OE1-CB 3.27Å; E327-W341 VanDerWaalsContact OE1-CD1 3.24Å; E327-W341 PolarHBondContact OE1-N 3.27Å; W341-Y343 VanDerWaalsContact C-N 3.32Å; W341-Y343 PolarHBondContact O-N 3.45Å; W341-V344 HydrophobicContact CE3-CB 4.39Å; W341-V344 HydrophobicContact CE3-CG1 4.4Å; W341-V344 WeakPolarHBondContact O-CA 3.47Å; W341-V344 WeakPolarHBondContact O-CB 3.43Å; W341-V344 PolarHBondContact O-N 3.42Å; W341-E345 WeakPolarHBondContact O-CG 3.37Å; W341-E345 PolarHBondContact O-N 2.74Å
342	E	88.6	Confident	77.9	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.065	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-44.2	174.5	-169	64.2	-151.8	0	0	111.8	F149 S193 Q194 F195 N340 E345 R346	F149-E342 HydrophobicContact CE2-CG 4.05Å; F149-E342 HydrophobicContact CZ-CG 4.02Å; S193-E342 WeakPolarHBondContact CA-OE1 3.32Å; S193-E342 WeakPolarHBondContact CB-OE1 3.14Å; Q194-E342 PolarHBondContact N-OE1 2.78Å; Q194-E342 PolarHBondContact N-OE2 3.48Å; F195-E342 HydrophobicContact CB-CG 3.97Å; F195-E342 WeakPolarHBondContact CB-OE1 3.34Å; F195-E342 PolarHBondContact N-OE1 2.87Å; N340-E342 PolarHBondContact O-N 2.91Å; E342-E345 PolarHBondContact O-N 2.89Å; E342-R346 VanDerWaalsContact O-CG 3.24Å; E342-R346 WeakPolarHBondContact O-CG 3.49Å; E342-R346 PolarHBondContact O-N 3.21Å
343	Y	86.6	Confident	75.2	Confident	12 Å²	12	50.9 Å²	50.9	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-42.6	174.7	-176.1	-80.1	0	0	0	111.6	V231 N340 W341 E345 R346 V347	V231-Y343 HydrophobicContact CB-CE1 4.02Å; V231-Y343 HydrophobicContact CB-CE2 4.27Å; V231-Y343 HydrophobicContact CG1-CD1 3.72Å; V231-Y343 HydrophobicContact CG1-CE1 3.22Å; V231-Y343 HydrophobicContact CG1-CE2 4.23Å; V231-Y343 HydrophobicContact CG1-CG 4.39Å; V231-Y343 HydrophobicContact CG2-CD2 4.24Å; V231-Y343 HydrophobicContact CG2-CE1 4.35Å; V231-Y343 HydrophobicContact CG2-CE2 3.87Å; N340-Y343 PolarHBondContact O-N 3.15Å; N340-Y343 VanDerWaalsContact O-N 3.14Å; N340-Y343 WeakPolarHBondContact OD1-CA 3.28Å; N340-Y343 WeakPolarHBondContact OD1-CB 3.23Å; N340-Y343 PolarHBondContact OD1-N 3.16Å; W341-Y343 VanDerWaalsContact C-N 3.32Å; W341-Y343 PolarHBondContact O-N 3.45Å; Y343-E345 VanDerWaalsContact C-N 3.3Å; Y343-E345 PolarHBondContact O-N 3.47Å; Y343-R346 PolarHBondContact O-N 2.93Å; Y343-V347 HydrophobicContact CD1-CG2 3.81Å; Y343-V347 HydrophobicContact CE1-CG2 3.32Å; Y343-V347 WeakPolarHBondContact O-CG2 3.29Å; Y343-V347 PolarHBondContact O-N 3.14Å
344	V	85.9	Confident	72.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-45.8	177.4	173.2	0	0	0	0	110.4	Y188 Y315 F319 N340 W341 V347 V348	Y188-V344 HydrophobicContact CD2-CG1 4.03Å; Y188-V344 HydrophobicContact CE2-CG1 3.85Å; Y315-V344 HydrophobicContact CD2-CG1 4.47Å; Y315-V344 HydrophobicContact CE2-CG1 3.53Å; F319-V344 HydrophobicContact CE1-CG2 4.12Å; F319-V344 HydrophobicContact CZ-CG2 3.84Å; N340-V344 PolarHBondContact O-N 3.33Å; N340-V344 VanDerWaalsContact O-N 3.14Å; W341-V344 HydrophobicContact CE3-CB 4.39Å; W341-V344 HydrophobicContact CE3-CG1 4.4Å; W341-V344 WeakPolarHBondContact O-CA 3.47Å; W341-V344 WeakPolarHBondContact O-CB 3.43Å; W341-V344 PolarHBondContact O-N 3.42Å; V344-V347 PolarHBondContact O-N 3.25Å; V344-V348 HydrophobicContact CG1-CG2 4.36Å; V344-V348 VanDerWaalsContact O-CB 3.26Å; V344-V348 WeakPolarHBondContact O-CB 3.31Å; V344-V348 VanDerWaalsContact O-CG2 3.22Å; V344-V348 WeakPolarHBondContact O-CG2 2.9Å; V344-V348 PolarHBondContact O-N 3.46Å
345	E	84.7	Confident	70.2	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-39	176.4	-65.8	-151.3	131	0	0	113.8	Y188 I189 S193 W341 E342 Y343 V347 V348	Y188-E345 HydrophobicContact CD2-CG 4.3Å; Y188-E345 PolarHBondContact N-OE1 3.11Å; I189-E345 WeakPolarHBondContact CA-OE1 3.45Å; I189-E345 VanDerWaalsContact CB-CD 3.43Å; I189-E345 VanDerWaalsContact CB-OE1 3.3Å; I189-E345 WeakPolarHBondContact CB-OE1 3.44Å; I189-E345 WeakPolarHBondContact CB-OE2 3.42Å; I189-E345 HydrophobicContact CD1-CG 3.97Å; I189-E345 WeakPolarHBondContact CD1-OE2 3.14Å; I189-E345 HydrophobicContact CG1-CG 3.96Å; I189-E345 PolarHBondContact N-OE1 2.92Å; S193-E345 WeakPolarHBondContact CA-OE2 3.4Å; S193-E345 PolarHBondContact N-OE2 2.9Å; W341-E345 WeakPolarHBondContact O-CG 3.37Å; W341-E345 PolarHBondContact O-N 2.74Å; E342-E345 PolarHBondContact O-N 2.89Å; Y343-E345 VanDerWaalsContact C-N 3.3Å; Y343-E345 PolarHBondContact O-N 3.47Å; E345-V347 PolarHBondContact O-N 2.89Å; E345-V348 CarbonylContact O-C 3.57Å; E345-V348 PolarHBondContact O-N 3.42Å
346	R	83	Confident	67.6	Low	27 Å²	27	54.9 Å²	54.9	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-33.6	176.4	-70	-177.1	-45	172.9	10.2	112.5	D141 F195 L196 K255 E342 Y343	D141-R346 IonicContact OD1-CZ 3.17Å; D141-R346 IonicContact OD1-NH1 3.31Å; D141-R346 PolarHBondContact OD1-NH1 2.87Å; D141-R346 IonicContact OD1-NH2 2.89Å; D141-R346 IonicContact OD2-NH1 2.67Å; D141-R346 IonicContact OD2-NH2 3.78Å; D141-R346 PolarHBondContact OD2-NH2 3.15Å; F195-R346 HydrophobicContact CD1-CG 4.16Å; F195-R346 VanDerWaalsContact CE2-NH1 3.27Å; L196-R346 HydrophobicContact CD1-CG 4.31Å; L196-R346 HydrophobicContact CG-CG 4.15Å; K255-R346 PolarHBondContact NZ-O 3.25Å; E342-R346 VanDerWaalsContact O-CG 3.24Å; E342-R346 WeakPolarHBondContact O-CG 3.49Å; E342-R346 PolarHBondContact O-N 3.21Å; Y343-R346 PolarHBondContact O-N 2.93Å
347	V	81	Confident	64.8	Low	3 Å²	3	60 Å²	60	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-75.5	-42.5	174.8	173.7	0	0	0	0	110.6	L291 Y343 V344 E345	L291-V347 HydrophobicContact CD2-CG1 3.56Å; Y343-V347 HydrophobicContact CD1-CG2 3.81Å; Y343-V347 HydrophobicContact CE1-CG2 3.32Å; Y343-V347 WeakPolarHBondContact O-CG2 3.29Å; Y343-V347 PolarHBondContact O-N 3.14Å; V344-V347 PolarHBondContact O-N 3.25Å; E345-V347 PolarHBondContact O-N 2.89Å
348	V	69.1	Low	62.3	Low	2 Å²	2	66.9 Å²	66.9	1%	0.012	30%	0.302	C	S	.	.			trans	-102.8	82.2	-172.7	-173	0	0	0	0	108.7	C187 Y188 H247 T253 Y315 V344 E345 I350	C187-V348 PolarHBondContact SG-O 2.8Å; Y188-V348 HydrophobicContact CE2-CB 4.33Å; Y188-V348 HydrophobicContact CE2-CG1 4.14Å; H247-V348 HydrophobicContact CB-CB 4.26Å; H247-V348 HydrophobicContact CB-CG1 3.71Å; H247-V348 HydrophobicContact CB-CG2 3.43Å; H247-V348 VanDerWaalsContact CB-CG2 3.43Å; H247-V348 VanDerWaalsContact CG-CG1 3.41Å; T253-V348 HydrophobicContact CG2-CG2 4.49Å; Y315-V348 HydrophobicContact CE2-CG2 4.32Å; V344-V348 HydrophobicContact CG1-CG2 4.36Å; V344-V348 VanDerWaalsContact O-CB 3.26Å; V344-V348 WeakPolarHBondContact O-CB 3.31Å; V344-V348 VanDerWaalsContact O-CG2 3.22Å; V344-V348 WeakPolarHBondContact O-CG2 2.9Å; V344-V348 PolarHBondContact O-N 3.46Å; E345-V348 CarbonylContact O-C 3.57Å; E345-V348 PolarHBondContact O-N 3.42Å; V348-I350 HydrophobicContact CG1-CB 4.34Å; V348-I350 HydrophobicContact CG1-CD1 3.64Å; V348-I350 HydrophobicContact CG1-CG1 4.06Å
349	Q	60.6	Low	59.7	Low	41 Å²	41	70.4 Å²	70.4	19%	0.192	32%	0.319	C	S	.	.			trans	-97.4	84.9	169.8	-67	-173.1	-57.3	0	0	108.9	N179 L196 S371	N179-Q349 PolarHBondContact ND2-OE1 2.86Å; L196-Q349 HydrophobicContact CD1-CG 4.47Å; Q349-S371 PolarHBondContact OE1-O 3.45Å
350	I	52.5	Low	57.1	Low	3 Å²	3	80.4 Å²	80.4	2%	0.015	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-120.3	153.2	-175	-70	172.4	0	0	0	110.4	C187 H247 E252 T253 V348 H352 T369	C187-I350 PolarHBondContact SG-N 3.41Å; C187-I350 VanDerWaalsContact SG-N 3.36Å; C187-I350 PolarHBondContact SG-O 3.17Å; H247-I350 WeakPolarHBondContact CD2-CD1 3.43Å; H247-I350 WeakPolarHBondContact NE2-CD1 3.34Å; E252-I350 HydrophobicContact CB-CD1 4.12Å; T253-I350 HydrophobicContact CG2-CD1 4.01Å; V348-I350 HydrophobicContact CG1-CB 4.34Å; V348-I350 HydrophobicContact CG1-CD1 3.64Å; V348-I350 HydrophobicContact CG1-CG1 4.06Å; I350-H352 VanDerWaalsContact C-N 3.32Å; I350-H352 HydrophobicContact CG2-CB 4.09Å; I350-H352 PolarHBondContact O-N 3.17Å; I350-T369 HydrophobicContact CD1-CG2 4.29Å; I350-T369 HydrophobicContact CG1-CG2 4.2Å; I350-T369 HydrophobicContact CG2-CG2 3.88Å
351	N	41.3	Very low	54.4	Low	58 Å²	58	84.8 Å²	84.8	31%	0.31	40%	0.395	S	S	.	.			trans	-84.8	14	-178.7	-91.7	-72.9	0	0	0	116.4	K185 R353 E368	K185-N351 WeakPolarHBondContact CD-OD1 3.24Å; K185-N351 VanDerWaalsContact CE-OD1 3.32Å; K185-N351 WeakPolarHBondContact CE-OD1 3.32Å; K185-N351 PolarHBondContact NZ-ND2 3.4Å; K185-N351 PolarHBondContact NZ-OD1 2.86Å; N351-R353 PolarHBondContact O-N 3.41Å; N351-E368 HydrophobicContact CB-CB 3.75Å; N351-E368 PolarHBondContact N-O 2.93Å; N351-E368 WeakPolarHBondContact ND2-CB 3.44Å; N351-E368 PolarHBondContact ND2-O 3.27Å; N351-E368 PolarHBondContact ND2-OE2 3.46Å; N351-E368 PolarHBondContact OD1-OE2 3.2Å
352	H	39.8	Very low	51.8	Low	94 Å²	94	87.1 Å²	87.1	44%	0.435	42%	0.422	S	S	.	.			trans	-90.7	109.5	-173.3	-78.3	-61.5	0	0	0	112	I350	I350-H352 VanDerWaalsContact C-N 3.32Å; I350-H352 HydrophobicContact CG2-CB 4.09Å; I350-H352 PolarHBondContact O-N 3.17Å
353	R	33.4	Very low	48.9	Very low	203 Å²	203	95.3 Å²	95.3	77%	0.766	46%	0.46	S	S	*	.			trans	-59.2	129	158.9	-165.5	-177.2	-154.3	-165.4	12.9	108.6	N351 E355	N351-R353 PolarHBondContact O-N 3.41Å; R353-E355 VanDerWaalsContact C-N 3.34Å; R353-E355 IonicContact CZ-OE1 3.6Å; R353-E355 IonicContact NE-OE1 3.89Å; R353-E355 IonicContact NH1-OE1 2.97Å; R353-E355 PolarHBondContact NH1-OE1 2.94Å; R353-E355 PolarHBondContact O-N 3Å
354	W	37.7	Very low	46.1	Very low	190 Å²	190	103.7 Å²	103.7	72%	0.72	49%	0.492	S	S	*	.	S	Bend	trans	-67.7	86.7	175.3	-77.7	76.8	0	0	0	111.4	C187 Y188	C187-W354 PolarHBondContact O-NE1 3.23Å; Y188-W354 AromaticContact CD1-CZ2 3.71Å; Y188-W354 HydrophobicContact CD1-CZ2 3.71Å; Y188-W354 HydrophobicContact CE1-CH2 4.15Å; Y188-W354 AromaticContact CE1-CZ2 3.46Å; Y188-W354 HydrophobicContact CE1-CZ2 3.46Å; Y188-W354 VanDerWaalsContact CE1-CZ2 3.46Å
355	E	28.7	Very low	43.3	Very low	135 Å²	135	111.1 Å²	111.1	63%	0.631	53%	0.527	S	S	*	.			trans	-129	61.6	164.9	-72	-176	-153.5	0	0	109.4	R353	R353-E355 VanDerWaalsContact C-N 3.34Å; R353-E355 IonicContact CZ-OE1 3.6Å; R353-E355 IonicContact NE-OE1 3.89Å; R353-E355 IonicContact NH1-OE1 2.97Å; R353-E355 PolarHBondContact NH1-OE1 2.94Å; R353-E355 PolarHBondContact O-N 3Å
356	I	30.6	Very low	40.6	Very low	144 Å²	144	118.5 Å²	118.5	74%	0.738	56%	0.559	S	S	*	*			trans	-137	70.5	168.4	-48.2	176.6	0	0	0	110.3
357	F	28.5	Very low	38	Very low	202 Å²	202	123.9 Å²	123.9	89%	0.886	59%	0.585	S	S	*	*	S	Bend	trans	-107.3	124.7	135.2	-94.7	-95.4	0	0	0	104.7
358	I	34	Very low	35.7	Very low	156 Å²	156	126.9 Å²	126.9	80%	0.8	60%	0.599	S	S	*	*	S	Bend	trans	118.2	-30.8	158.9	-59.2	158.8	0	0	0	118.9
359	N	27.1	Very low	34.1	Very low	126 Å²	126	127.8 Å²	127.8	67%	0.674	61%	0.605	S	S	*	*			trans	-118.7	108.6	-175.4	-77.3	-32.1	0	0	0	115	S361	N359-S361 VanDerWaalsContact C-N 3.29Å; N359-S361 PolarHBondContact O-N 3.17Å
360	F	31.3	Very low	33.7	Very low	221 Å²	221	126.9 Å²	126.9	97%	0.969	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	10.7	-179.4	-157.6	-100.1	0	0	0	113.6
361	S	31.4	Very low	34.4	Very low	107 Å²	107	127 Å²	127	75%	0.748	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	18.6	-165.8	58.9	0	0	0	0	116.5	N359	N359-S361 VanDerWaalsContact C-N 3.29Å; N359-S361 PolarHBondContact O-N 3.17Å
362	A	31.2	Very low	35.9	Very low	84 Å²	84	124.6 Å²	124.6	69%	0.694	59%	0.589	S	S	*	*	S	Bend	trans	-85.8	123.6	168.5	0	0	0	0	0	109.7	R364	A362-R364 PolarHBondContact O-N 2.89Å; A362-R364 VanDerWaalsContact O-N 3.17Å
363	Q	29.6	Very low	38	Very low	187 Å²	187	120.9 Å²	120.9	87%	0.874	57%	0.573	S	S	*	*			trans	-45.8	121.5	171.9	-72.2	168.3	-57.6	0	0	109.3	E365	Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 2.89Å
364	R	27.7	Very low	40.4	Very low	187 Å²	187	112.1 Å²	112.1	71%	0.706	54%	0.541	S	S	*	.			trans	-63.2	94.9	173.1	-70.2	-177.4	-173.1	176.4	1.4	108	A362 F366	A362-R364 PolarHBondContact O-N 2.89Å; A362-R364 VanDerWaalsContact O-N 3.17Å; R364-F366 VanDerWaalsContact C-N 3.26Å; R364-F366 HydrophobicContact CB-CD2 4.08Å; R364-F366 HydrophobicContact CB-CE2 4.08Å; R364-F366 WeakPolarHBondContact O-CD2 3.44Å; R364-F366 PolarHBondContact O-N 3.01Å
365	E	26.7	Very low	42.6	Very low	159 Å²	159	107 Å²	107	74%	0.743	53%	0.531	S	S	*	.			trans	-62.8	98.7	155.5	-77	-178.2	159.1	0	0	106.3	Q363 Q367	Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 2.89Å; E365-Q367 PolarHBondContact O-N 3.44Å
366	F	27.6	Very low	45.3	Very low	159 Å²	159	104.1 Å²	104.1	70%	0.697	54%	0.537	S	S	*	.			trans	-66.6	71.9	173.2	-87.8	-92.5	0	0	0	109.4	R364	R364-F366 VanDerWaalsContact C-N 3.26Å; R364-F366 HydrophobicContact CB-CD2 4.08Å; R364-F366 HydrophobicContact CB-CE2 4.08Å; R364-F366 WeakPolarHBondContact O-CD2 3.44Å; R364-F366 PolarHBondContact O-N 3.01Å
367	Q	28.4	Very low	48.2	Very low	140 Å²	140	99 Å²	99	65%	0.654	51%	0.514	S	S	*	.			trans	-121.4	118.3	175.5	-80.9	-171.1	-31.5	0	0	111.7	E365	E365-Q367 PolarHBondContact O-N 3.44Å
368	E	33	Very low	51.3	Low	67 Å²	67	93.4 Å²	93.4	31%	0.313	49%	0.489	S	S	.	.			trans	73.9	64.6	168.4	-52.4	-175.7	-140.7	0	0	118.9	K185 N351	K185-E368 IonicContact NZ-OE2 3.77Å; K185-E368 PolarHBondContact NZ-OE2 3.24Å; N351-E368 HydrophobicContact CB-CB 3.75Å; N351-E368 PolarHBondContact N-O 2.93Å; N351-E368 WeakPolarHBondContact ND2-CB 3.44Å; N351-E368 PolarHBondContact ND2-O 3.27Å; N351-E368 PolarHBondContact ND2-OE2 3.46Å; N351-E368 PolarHBondContact OD1-OE2 3.2Å
369	T	35.6	Very low	54.1	Low	21 Å²	21	87.3 Å²	87.3	13%	0.129	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-118.4	81.7	165.8	59.3	0	0	0	0	110.1	E252 I350	E252-T369 HydrophobicContact CB-CG2 3.6Å; E252-T369 HydrophobicContact CG-CG2 3.68Å; E252-T369 CarbonylContact O-C 3.09Å; E252-T369 VanDerWaalsContact O-C 3.29Å; E252-T369 WeakPolarHBondContact O-CB 3.34Å; E252-T369 PolarHBondContact O-OG1 3.06Å; E252-T369 WeakPolarHBondContact OE2-CG2 3.34Å; I350-T369 HydrophobicContact CD1-CG2 4.29Å; I350-T369 HydrophobicContact CG1-CG2 4.2Å; I350-T369 HydrophobicContact CG2-CG2 3.88Å
370	I	50.9	Low	57.3	Low	21 Å²	21	81.3 Å²	81.3	11%	0.108	43%	0.427	C	S	.	.			trans	-145.1	108.7	177.5	-51.7	174.6	0	0	0	108.5	V373 M426 K429	I370-V373 HydrophobicContact CB-CG2 3.99Å; I370-V373 HydrophobicContact CG2-CG2 3.38Å; I370-M426 HydrophobicContact CB-SD 4.22Å; I370-M426 HydrophobicContact CD1-SD 3.55Å; I370-M426 VanDerWaalsContact CD1-SD 3.55Å; I370-M426 HydrophobicContact CG1-CE 4.46Å; I370-M426 HydrophobicContact CG1-SD 3.83Å; I370-M426 HydrophobicContact CG2-CB 4.15Å; I370-M426 HydrophobicContact CG2-CE 3.61Å; I370-M426 HydrophobicContact CG2-CG 4.29Å; I370-M426 HydrophobicContact CG2-SD 3.34Å; I370-M426 WeakPolarHBondContact CG2-SD 3.37Å; I370-K429 WeakPolarHBondContact CD1-O 3.3Å
371	S	67.4	Low	60.2	Low	5 Å²	5	77 Å²	77	4%	0.035	41%	0.41	C	S	.	.	S	Bend	trans	-76	-48.4	-178.9	36	0	0	0	0	112.6	N179 Y254 Q349	N179-S371 PolarHBondContact ND2-O 3.2Å; N179-S371 PolarHBondContact OD1-O 2.76Å; Y254-S371 PolarHBondContact N-OG 3.06Å; Y254-S371 PolarHBondContact O-OG 3.46Å; Q349-S371 PolarHBondContact OE1-O 3.45Å
372	D	74.5	Confident	63.2	Low	8 Å²	8	77 Å²	77	4%	0.043	40%	0.402	C	S	.	.			trans	-105.7	106	-175.6	-64.3	-3.5	0	0	0	110.3	L178 N179 Y254 K255 A256	L178-D372 HydrophobicContact CD2-CB 3.86Å; N179-D372 PolarHBondContact ND2-OD1 2.86Å; Y254-D372 PolarHBondContact O-N 3.08Å; K255-D372 WeakPolarHBondContact CA-OD2 3.47Å; K255-D372 WeakPolarHBondContact CD-OD1 3.38Å; K255-D372 VanDerWaalsContact CD-OD2 3.23Å; K255-D372 WeakPolarHBondContact CD-OD2 3.29Å; K255-D372 IonicContact NZ-OD1 3.52Å; K255-D372 PolarHBondContact NZ-OD1 3.22Å; A256-D372 PolarHBondContact N-OD2 2.94Å
373	V	82.1	Confident	66.2	Low	16 Å²	16	74 Å²	74	10%	0.097	37%	0.374	C	S	.	.			trans	-120.9	127.1	176.1	-178.1	0	0	0	0	109	I370 T375 K429	I370-V373 HydrophobicContact CB-CG2 3.99Å; I370-V373 HydrophobicContact CG2-CG2 3.38Å; V373-T375 PolarHBondContact O-N 3.27Å; V373-K429 HydrophobicContact CB-CG 4.44Å; V373-K429 HydrophobicContact CG1-CG 4.35Å; V373-K429 HydrophobicContact CG2-CG 3.91Å
374	L	85.2	Confident	69.2	Low	19 Å²	19	67.6 Å²	67.6	10%	0.099	36%	0.358	C	S	.	.			trans	-65.5	131.7	173.2	-69.8	169.4	0	0	0	109.7	E282 V284 G376 T379 L425 M426	E282-L374 HydrophobicContact CB-CD2 4.19Å; E282-L374 WeakPolarHBondContact OE2-CA 3.37Å; E282-L374 WeakPolarHBondContact OE2-CD2 3.2Å; V284-L374 HydrophobicContact CB-CD2 4.18Å; V284-L374 HydrophobicContact CG2-CD2 3.49Å; V284-L374 VanDerWaalsContact CG2-CD2 3.49Å; L374-G376 PolarHBondContact O-N 3.37Å; L374-T379 HydrophobicContact CD2-CG2 4.25Å; L374-L425 HydrophobicContact CD1-CB 3.86Å; L374-L425 HydrophobicContact CD1-CD1 4.13Å; L374-M426 PolarHBondContact N-O 2.94Å
375	T	83.9	Confident	72.4	Confident	84 Å²	84	59.1 Å²	59.1	52%	0.515	33%	0.327	S	S	.	.			trans	-84.8	2.5	179.3	67.6	0	0	0	0	113.3	E282 V373 C377	E282-T375 WeakPolarHBondContact OE1-CB 3.46Å; E282-T375 WeakPolarHBondContact OE1-CG2 3.29Å; E282-T375 PolarHBondContact OE1-N 3.3Å; E282-T375 PolarHBondContact OE1-OG1 2.76Å; E282-T375 PolarHBondContact OE2-N 2.69Å; V373-T375 PolarHBondContact O-N 3.27Å; T375-C377 PolarHBondContact OG1-SG 2.89Å
376	G	85.5	Confident	75.6	Confident	74 Å²	74	57 Å²	57	76%	0.763	33%	0.325	S	S	*	.	S	Bend	trans	88.2	6.8	-173.7	0	0	0	0	0	114	L374	L374-G376 PolarHBondContact O-N 3.37Å
377	C	90.1	Very high	78.8	Confident	37 Å²	37	49.9 Å²	49.9	25%	0.25	29%	0.294	C	S	.	.			trans	-67.1	167.6	172.5	-69.1	0	0	0	0	112	E282 T375	E282-C377 HydrophobicContact CB-CB 4.35Å; E282-C377 HydrophobicContact CG-CB 3.71Å; T375-C377 PolarHBondContact OG1-SG 2.89Å
378	K	93.8	Very high	81.9	Confident	83 Å²	83	46.1 Å²	46.1	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.4	178.7	-67.8	-170.6	-177	-176.7	0	110.9	E279 T280 F281 E282 N382	E279-K378 WeakPolarHBondContact OE1-CE 3.44Å; E279-K378 IonicContact OE1-NZ 2.68Å; E279-K378 PolarHBondContact OE1-NZ 3.37Å; E279-K378 VanDerWaalsContact OE2-CD 3.3Å; E279-K378 WeakPolarHBondContact OE2-CD 3.19Å; E279-K378 VanDerWaalsContact OE2-CE 3.3Å; E279-K378 WeakPolarHBondContact OE2-CE 3.27Å; E279-K378 IonicContact OE2-NZ 3.5Å; E279-K378 PolarHBondContact OE2-NZ 2.93Å; T280-K378 PolarHBondContact O-N 3.13Å; F281-K378 CarbonylContact C-O 3.29Å; F281-K378 VanDerWaalsContact CA-O 3.24Å; F281-K378 WeakPolarHBondContact CA-O 3.41Å; F281-K378 HydrophobicContact CD1-CB 3.57Å; F281-K378 HydrophobicContact CE1-CB 3.62Å; F281-K378 HydrophobicContact CE1-CD 3.84Å; F281-K378 HydrophobicContact CE1-CG 4.39Å; F281-K378 HydrophobicContact CZ-CD 4.25Å; E282-K378 PolarHBondContact N-O 3.19Å; K378-N382 VanDerWaalsContact CA-ND2 3.27Å; K378-N382 WeakPolarHBondContact CA-ND2 3.37Å; K378-N382 HydrophobicContact CB-CB 4.3Å; K378-N382 WeakPolarHBondContact CB-ND2 3.28Å
379	T	93.5	Very high	84.7	Confident	28 Å²	28	43.6 Å²	43.6	17%	0.172	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	178.9	-179.7	59	0	0	0	0	112.2	E282 L374 E381 N382	E282-T379 WeakPolarHBondContact O-CA 3.3Å; L374-T379 HydrophobicContact CD2-CG2 4.25Å; T379-E381 PolarHBondContact O-N 3.48Å; T379-N382 PolarHBondContact N-ND2 3.33Å; T379-N382 WeakPolarHBondContact O-CB 3.5Å; T379-N382 PolarHBondContact O-N 2.9Å
380	L	93.7	Very high	87.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.2	-31	174.1	-75.6	170.5	0	0	0	113.3	V258 D262 F283 N382 L383 G384 I385 P387	V258-L380 HydrophobicContact CG1-CD1 4.16Å; D262-L380 HydrophobicContact CB-CD1 4.25Å; F283-L380 HydrophobicContact CB-CD1 4.2Å; F283-L380 HydrophobicContact CB-CD2 4.39Å; F283-L380 HydrophobicContact CB-CG 4.14Å; F283-L380 HydrophobicContact CD1-CD2 3.41Å; F283-L380 VanDerWaalsContact CD1-CD2 3.41Å; F283-L380 HydrophobicContact CD1-CG 3.62Å; F283-L380 HydrophobicContact CD2-CD2 4.11Å; F283-L380 HydrophobicContact CE1-CD2 3.56Å; F283-L380 HydrophobicContact CE1-CG 4.21Å; F283-L380 HydrophobicContact CE2-CD2 4.23Å; F283-L380 HydrophobicContact CG-CD1 4.41Å; F283-L380 HydrophobicContact CG-CD2 3.72Å; F283-L380 HydrophobicContact CG-CG 3.93Å; F283-L380 HydrophobicContact CZ-CD2 3.99Å; L380-N382 VanDerWaalsContact C-N 3.31Å; L380-N382 PolarHBondContact O-N 2.99Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 3.18Å; L380-L383 VanDerWaalsContact O-N 3.11Å; L380-G384 PolarHBondContact O-N 2.96Å; L380-I385 CarbonylContact C-O 3.47Å; L380-I385 HydrophobicContact CB-CB 4.37Å; L380-I385 HydrophobicContact CD2-CD1 4.26Å; L380-I385 PolarHBondContact O-N 3.42Å; L380-P387 HydrophobicContact CD1-CB 4.15Å
381	E	93.2	Very high	89.3	Confident	130 Å²	130	42.4 Å²	42.4	61%	0.607	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.1	-35.1	178.9	-64.1	-179.4	166.6	0	0	112	T379 L383 G384	T379-E381 PolarHBondContact O-N 3.48Å; E381-L383 PolarHBondContact O-N 3.26Å; E381-G384 WeakPolarHBondContact O-CA 3.38Å; E381-G384 PolarHBondContact O-N 3.18Å
382	N	93.7	Very high	90.3	Very high	106 Å²	106	47.7 Å²	47.7	57%	0.567	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.3	-25.3	175.6	-67.5	-24.9	0	0	0	112.3	K378 T379 L380	K378-N382 VanDerWaalsContact CA-ND2 3.27Å; K378-N382 WeakPolarHBondContact CA-ND2 3.37Å; K378-N382 HydrophobicContact CB-CB 4.3Å; K378-N382 WeakPolarHBondContact CB-ND2 3.28Å; T379-N382 PolarHBondContact N-ND2 3.33Å; T379-N382 WeakPolarHBondContact O-CB 3.5Å; T379-N382 PolarHBondContact O-N 2.9Å; L380-N382 VanDerWaalsContact C-N 3.31Å; L380-N382 PolarHBondContact O-N 2.99Å
383	L	93.5	Very high	90.9	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-82.4	-3.2	171.6	-61.8	173.9	0	0	0	111.9	R269 T270 T276 F281 F283 L380 E381 I385	R269-L383 WeakPolarHBondContact CD-O 3.45Å; R269-L383 PolarHBondContact NH1-O 3.31Å; T270-L383 HydrophobicContact CG2-CD1 3.74Å; T270-L383 HydrophobicContact CG2-CD2 3.98Å; T276-L383 HydrophobicContact CG2-CD2 4.35Å; F281-L383 HydrophobicContact CD1-CD1 4.19Å; F281-L383 HydrophobicContact CD1-CD2 4.35Å; F281-L383 HydrophobicContact CD1-CG 4.22Å; F281-L383 HydrophobicContact CE1-CD1 4.31Å; F281-L383 HydrophobicContact CE1-CD2 3.65Å; F281-L383 HydrophobicContact CE1-CG 3.95Å; F281-L383 HydrophobicContact CZ-CD2 3.95Å; F283-L383 HydrophobicContact CE1-CD1 3.76Å; F283-L383 HydrophobicContact CZ-CD1 4Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 3.18Å; L380-L383 VanDerWaalsContact O-N 3.11Å; E381-L383 PolarHBondContact O-N 3.26Å; L383-I385 HydrophobicContact CB-CD1 4.42Å
384	G	93.7	Very high	91.2	Very high	52 Å²	52	49.9 Å²	49.9	54%	0.536	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	21.6	-176.1	0	0	0	0	0	114.3	R269 L380 E381	R269-G384 PolarHBondContact NH1-O 3.35Å; L380-G384 PolarHBondContact O-N 2.96Å; E381-G384 WeakPolarHBondContact O-CA 3.38Å; E381-G384 PolarHBondContact O-N 3.18Å
385	I	94.4	Very high	91.2	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.051	30%	0.302	C	S	.	.			trans	-106.4	124	-179.5	-59	171	0	0	0	108.4	R269 L380 L383 P387	R269-I385 HydrophobicContact CG-CD1 4.47Å; L380-I385 CarbonylContact C-O 3.47Å; L380-I385 HydrophobicContact CB-CB 4.37Å; L380-I385 HydrophobicContact CD2-CD1 4.26Å; L380-I385 PolarHBondContact O-N 3.42Å; L383-I385 HydrophobicContact CB-CD1 4.42Å; I385-P387 WeakPolarHBondContact O-CD 3.19Å
386	V	94.5	Very high	91.2	Very high	115 Å²	115	51.5 Å²	51.5	70%	0.697	30%	0.298	S	S	*	.			trans	-87	112.5	172.4	-177.8	0	0	0	0	108.4
387	P	93.6	Very high	91.2	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.058	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-69.3	140.2	-178.1	30.4	-34.9	0	0	0	110.7	D262 P286 L380 I385	D262-P387 WeakPolarHBondContact OD2-CA 3.37Å; P286-P387 HydrophobicContact CB-CG 4.08Å; L380-P387 HydrophobicContact CD1-CB 4.15Å; I385-P387 WeakPolarHBondContact O-CD 3.19Å
388	Q	93.5	Very high	91.1	Very high	60 Å²	60	46.6 Å²	46.6	28%	0.28	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-78.7	142.3	-178.8	-60.2	-72.1	-79.5	0	0	110.7	D262 P286 K393	D262-Q388 WeakPolarHBondContact OD2-CG 3.43Å; D262-Q388 PolarHBondContact OD2-N 3.37Å; P286-Q388 VanDerWaalsContact CD-O 3.29Å; P286-Q388 WeakPolarHBondContact CD-O 3.36Å; Q388-K393 HydrophobicContact CB-CG 4Å; Q388-K393 VanDerWaalsContact OE1-CE 3.26Å
389	P	92.7	Very high	90.7	Very high	15 Å²	15	48 Å²	48	10%	0.097	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.7	150	176.9	29.2	-34.4	0	0	0	111.7	Y222 P286 Y287 E391 E392	Y222-P389 PolarHBondContact OH-O 3.09Å; P286-P389 HydrophobicContact CG-CB 4.16Å; Y287-P389 HydrophobicContact CD2-CB 4.32Å; Y287-P389 HydrophobicContact CE2-CB 4.17Å; P389-E391 VanDerWaalsContact C-N 3.29Å; P389-E391 PolarHBondContact O-N 3.15Å; P389-E392 HydrophobicContact CG-CB 4.16Å; P389-E392 HydrophobicContact CG-CG 3.76Å; P389-E392 PolarHBondContact O-N 3.4Å
390	F	92.5	Very high	90.2	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-56	-47.6	-179	-177.8	-103.5	0	0	0	111.6	Y222 F228 I229 P257 Y289 L294 W297 M298 E392 K393 S394	Y222-F390 AromaticContact CD1-CD2 3.79Å; Y222-F390 HydrophobicContact CD1-CD2 3.79Å; Y222-F390 HydrophobicContact CD1-CE2 4.09Å; Y222-F390 AromaticContact CD2-CD2 3.86Å; Y222-F390 HydrophobicContact CD2-CD2 3.86Å; Y222-F390 AromaticContact CD2-CE2 3.8Å; Y222-F390 HydrophobicContact CD2-CE2 3.8Å; Y222-F390 AromaticContact CE1-CD2 3.69Å; Y222-F390 HydrophobicContact CE1-CD2 3.69Å; Y222-F390 HydrophobicContact CE1-CE2 4.42Å; Y222-F390 AromaticContact CE2-CD2 3.76Å; Y222-F390 HydrophobicContact CE2-CD2 3.76Å; Y222-F390 HydrophobicContact CE2-CE2 4.15Å; Y222-F390 AromaticContact CG-CD2 3.89Å; Y222-F390 HydrophobicContact CG-CD2 3.89Å; Y222-F390 AromaticContact CG-CE2 3.79Å; Y222-F390 HydrophobicContact CG-CE2 3.79Å; Y222-F390 AromaticContact CZ-CD2 3.71Å; Y222-F390 WeakPolarHBondContact OH-CA 3.26Å; F228-F390 HydrophobicContact CE1-CE2 4.27Å; I229-F390 HydrophobicContact CD1-CE2 4.15Å; I229-F390 HydrophobicContact CD1-CZ 4.16Å; I229-F390 HydrophobicContact CG1-CE2 4.34Å; I229-F390 HydrophobicContact CG1-CZ 4.22Å; P257-F390 HydrophobicContact CB-CD2 4.19Å; P257-F390 HydrophobicContact CG-CB 4.32Å; P257-F390 HydrophobicContact CG-CD2 3.67Å; P257-F390 HydrophobicContact CG-CE2 4.26Å; P257-F390 HydrophobicContact CG-CG 4.17Å; Y289-F390 HydrophobicContact CD2-CB 4.42Å; Y289-F390 HydrophobicContact CE2-CB 3.58Å; L294-F390 HydrophobicContact CD1-CD1 3.5Å; L294-F390 VanDerWaalsContact CD1-CD1 3.5Å; L294-F390 HydrophobicContact CD1-CE1 3.46Å; L294-F390 VanDerWaalsContact CD1-CE1 3.46Å; L294-F390 HydrophobicContact CD1-CG 4.32Å; L294-F390 HydrophobicContact CD1-CZ 4.29Å; L294-F390 HydrophobicContact CG-CE1 4.18Å; W297-F390 HydrophobicContact CE3-CD1 4.27Å; W297-F390 AromaticContact CE3-CE1 3.94Å; W297-F390 HydrophobicContact CE3-CE1 3.94Å; W297-F390 HydrophobicContact CH2-CD1 4.44Å; W297-F390 AromaticContact CZ3-CD1 3.69Å; W297-F390 HydrophobicContact CZ3-CD1 3.69Å; W297-F390 AromaticContact CZ3-CE1 3.47Å; W297-F390 HydrophobicContact CZ3-CE1 3.47Å; W297-F390 VanDerWaalsContact CZ3-CE1 3.47Å; M298-F390 HydrophobicContact CG-CE1 4.36Å; M298-F390 HydrophobicContact SD-CE1 4.49Å; M298-F390 HydrophobicContact SD-CZ 4.1Å; F390-E392 VanDerWaalsContact C-N 3.31Å; F390-E392 PolarHBondContact O-N 2.81Å; F390-K393 PolarHBondContact O-N 3.24Å; F390-S394 WeakPolarHBondContact O-CB 3.19Å; F390-S394 PolarHBondContact O-N 3.36Å; F390-S394 PolarHBondContact O-OG 2.96Å
391	E	90.3	Very high	89.9	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-55.8	-38	-173.2	-64.9	146.6	-134.3	0	0	114.8	Y289 W297 P389 P419 P420 R422	Y289-E391 WeakPolarHBondContact CE1-OE1 3.2Å; Y289-E391 PolarHBondContact OH-OE1 3.27Å; W297-E391 HydrophobicContact CH2-CB 4.19Å; W297-E391 HydrophobicContact CH2-CG 4.3Å; W297-E391 HydrophobicContact CZ2-CB 4.14Å; W297-E391 HydrophobicContact CZ2-CG 4.14Å; P389-E391 VanDerWaalsContact C-N 3.29Å; P389-E391 PolarHBondContact O-N 3.15Å; E391-P419 HydrophobicContact CG-CB 4.07Å; E391-P419 WeakPolarHBondContact OE2-CB 3.49Å; E391-P420 HydrophobicContact CG-CG 3.88Å; E391-R422 IonicContact OE1-CZ 2.9Å; E391-R422 IonicContact OE1-NE 2.85Å; E391-R422 PolarHBondContact OE1-NE 3.3Å; E391-R422 IonicContact OE1-NH2 2.72Å; E391-R422 IonicContact OE2-CZ 3.77Å; E391-R422 IonicContact OE2-NE 3.66Å; E391-R422 PolarHBondContact OE2-NE 3.18Å; E391-R422 IonicContact OE2-NH2 3.99Å; E391-R422 PolarHBondContact OE2-NH2 3.49Å
392	E	87.7	Confident	89.5	Confident	115 Å²	115	48.6 Å²	48.6	54%	0.537	27%	0.268	S	S	.	.	H	α-helix	trans	-80.5	-30.9	-174.8	-68.6	177	-172.5	0	0	112.3	P389 F390	P389-E392 HydrophobicContact CG-CB 4.16Å; P389-E392 HydrophobicContact CG-CG 3.76Å; P389-E392 PolarHBondContact O-N 3.4Å; F390-E392 VanDerWaalsContact C-N 3.31Å; F390-E392 PolarHBondContact O-N 2.81Å
393	K	88.6	Confident	88.8	Confident	70 Å²	70	50 Å²	50	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-100.9	-29.8	-174	-62.4	-57.8	-177.9	-165	0	113.3	Y222 W259 Q388 F390 L395 T396	Y222-K393 HydrophobicContact CE2-CB 3.95Å; W259-K393 HydrophobicContact CD2-CB 3.9Å; W259-K393 HydrophobicContact CD2-CG 4.19Å; W259-K393 HydrophobicContact CE3-CB 3.97Å; W259-K393 HydrophobicContact CG-CB 4.37Å; W259-K393 HydrophobicContact CG-CG 4.24Å; W259-K393 HydrophobicContact CH2-CB 4.26Å; W259-K393 HydrophobicContact CZ2-CB 4.27Å; W259-K393 HydrophobicContact CZ3-CB 4.11Å; Q388-K393 HydrophobicContact CB-CG 4Å; Q388-K393 VanDerWaalsContact OE1-CE 3.26Å; F390-K393 PolarHBondContact O-N 3.24Å; K393-L395 PolarHBondContact O-N 3.05Å; K393-T396 PolarHBondContact O-N 3.38Å; K393-T396 PolarHBondContact O-OG1 3.02Å
394	S	87.7	Confident	88	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-24.4	-177.5	64.8	0	0	0	0	112.9	W297 F390 T396 A397 L398	W297-S394 WeakPolarHBondContact CH2-OG 3.46Å; W297-S394 VanDerWaalsContact CZ3-OG 3.28Å; W297-S394 WeakPolarHBondContact CZ3-OG 3.47Å; F390-S394 WeakPolarHBondContact O-CB 3.19Å; F390-S394 PolarHBondContact O-N 3.36Å; F390-S394 PolarHBondContact O-OG 2.96Å; S394-T396 VanDerWaalsContact C-N 3.32Å; S394-T396 PolarHBondContact O-N 3.08Å; S394-A397 CarbonylContact O-C 3.57Å; S394-A397 WeakPolarHBondContact O-CA 3.36Å; S394-A397 WeakPolarHBondContact O-CB 3.07Å; S394-A397 PolarHBondContact O-N 3.35Å; S394-L398 WeakPolarHBondContact O-CB 3.46Å; S394-L398 WeakPolarHBondContact O-CG 3.48Å; S394-L398 PolarHBondContact O-N 3.3Å
395	L	85.3	Confident	87.1	Confident	67 Å²	67	49.2 Å²	49.2	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-50.1	-51.3	178.2	-65.7	175.7	0	0	0	111.6	L301 K393 A397 L398 E399	L301-L395 HydrophobicContact CD1-CD2 3.92Å; L301-L395 HydrophobicContact CD2-CD2 3.64Å; L301-L395 HydrophobicContact CG-CD2 4.47Å; K393-L395 PolarHBondContact O-N 3.05Å; L395-A397 PolarHBondContact O-N 2.81Å; L395-L398 PolarHBondContact O-N 3.01Å; L395-L398 VanDerWaalsContact O-N 3.08Å; L395-E399 WeakPolarHBondContact O-CG 3.49Å; L395-E399 PolarHBondContact O-N 3.45Å
396	T	82.9	Confident	86.2	Confident	71 Å²	71	53.7 Å²	53.7	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-28.5	178.8	59.9	0	0	0	0	114	K393 S394	K393-T396 PolarHBondContact O-N 3.38Å; K393-T396 PolarHBondContact O-OG1 3.02Å; S394-T396 VanDerWaalsContact C-N 3.32Å; S394-T396 PolarHBondContact O-N 3.08Å
397	A	86.6	Confident	85.3	Confident	4 Å²	4	57 Å²	57	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-82.6	-29.3	176.7	0	0	0	0	0	112	I229 S394 L395	I229-A397 HydrophobicContact CD1-CB 3.87Å; S394-A397 CarbonylContact O-C 3.57Å; S394-A397 WeakPolarHBondContact O-CA 3.36Å; S394-A397 WeakPolarHBondContact O-CB 3.07Å; S394-A397 PolarHBondContact O-N 3.35Å; L395-A397 PolarHBondContact O-N 2.81Å
398	L	88.6	Confident	84.2	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-84.3	-26.6	-178.1	-72.5	166.4	0	0	0	112.9	I229 M233 W297 M298 L301 N302 S394 L395 V400 Y401 D402	I229-L398 HydrophobicContact CG2-CD2 3.45Å; I229-L398 VanDerWaalsContact CG2-CD2 3.45Å; I229-L398 HydrophobicContact CG2-CG 4.31Å; M233-L398 HydrophobicContact CG-CD2 4.04Å; M233-L398 HydrophobicContact SD-CD2 4.3Å; W297-L398 HydrophobicContact CZ3-CD1 4.18Å; M298-L398 HydrophobicContact CB-CD1 4.45Å; M298-L398 HydrophobicContact CB-CD2 4.14Å; M298-L398 HydrophobicContact CG-CD1 4.05Å; M298-L398 HydrophobicContact CG-CD2 4.1Å; M298-L398 HydrophobicContact SD-CD2 4.21Å; L301-L398 HydrophobicContact CD1-CD1 3.56Å; N302-L398 PolarHBondContact OD1-O 3.19Å; S394-L398 WeakPolarHBondContact O-CB 3.46Å; S394-L398 WeakPolarHBondContact O-CG 3.48Å; S394-L398 PolarHBondContact O-N 3.3Å; L395-L398 PolarHBondContact O-N 3.01Å; L395-L398 VanDerWaalsContact O-N 3.08Å; L398-V400 PolarHBondContact O-N 2.9Å; L398-Y401 PolarHBondContact O-N 2.72Å; L398-D402 PolarHBondContact O-N 2.94Å
399	E	83.5	Confident	82.9	Confident	112 Å²	112	62 Å²	62	52%	0.523	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-47.8	-35	178.4	-83.9	169.6	-164.7	0	0	113.7	L395 Y401 D402	L395-E399 WeakPolarHBondContact O-CG 3.49Å; L395-E399 PolarHBondContact O-N 3.45Å; E399-Y401 PolarHBondContact O-N 2.64Å; E399-D402 PolarHBondContact O-N 3.03Å
400	V	85	Confident	81.6	Confident	109 Å²	109	64.6 Å²	64.6	66%	0.661	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.3	178.8	-177.1	0	0	0	0	112.8	L398	L398-V400 PolarHBondContact O-N 2.9Å
401	Y	86.8	Confident	80.3	Confident	43 Å²	43	73.2 Å²	73.2	17%	0.169	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-98.8	-7.1	-177.4	-59.9	-73.7	0	0	0	113.8	I229 N230 M233 R304 L398 E399 F403	I229-Y401 HydrophobicContact CG2-CE2 4.2Å; N230-Y401 WeakPolarHBondContact CA-OH 3.13Å; N230-Y401 WeakPolarHBondContact CB-OH 3.2Å; N230-Y401 VanDerWaalsContact CG-OH 3.23Å; N230-Y401 PolarHBondContact OD1-OH 3.1Å; M233-Y401 HydrophobicContact CB-CD1 3.55Å; M233-Y401 HydrophobicContact CB-CD2 3.84Å; M233-Y401 HydrophobicContact CB-CE1 3.78Å; M233-Y401 HydrophobicContact CB-CE2 4.06Å; M233-Y401 HydrophobicContact CB-CG 3.58Å; M233-Y401 HydrophobicContact CG-CD1 4.45Å; M233-Y401 HydrophobicContact CG-CD2 3.92Å; M233-Y401 HydrophobicContact CG-CE2 4.34Å; M233-Y401 HydrophobicContact CG-CG 3.98Å; R304-Y401 PolarHBondContact NH1-O 2.7Å; L398-Y401 PolarHBondContact O-N 2.72Å; E399-Y401 PolarHBondContact O-N 2.64Å; Y401-F403 PolarHBondContact O-N 3.45Å
402	D	84	Confident	79.1	Confident	20 Å²	20	81.1 Å²	81.1	11%	0.107	42%	0.419	C	S	.	.			trans	-63.9	121.5	-179.3	-177.9	17.4	0	0	0	110.4	N302 S303 L398 E399 A404 G405 R408	N302-D402 PolarHBondContact OD1-N 2.9Å; S303-D402 PolarHBondContact OG-OD1 3.32Å; L398-D402 PolarHBondContact O-N 2.94Å; E399-D402 PolarHBondContact O-N 3.03Å; D402-A404 VanDerWaalsContact C-N 3.29Å; D402-A404 PolarHBondContact O-N 3.38Å; D402-A404 PolarHBondContact OD1-N 2.89Å; D402-G405 PolarHBondContact O-N 2.97Å; D402-G405 WeakPolarHBondContact OD2-CA 3.49Å; D402-G405 PolarHBondContact OD2-N 3.48Å; D402-R408 VanDerWaalsContact CG-NH1 3.35Å; D402-R408 IonicContact OD1-NH1 2.64Å; D402-R408 IonicContact OD2-CZ 3.92Å; D402-R408 IonicContact OD2-NE 3.87Å; D402-R408 IonicContact OD2-NH1 3.2Å; D402-R408 PolarHBondContact OD2-NH1 3.18Å
403	F	78.7	Confident	77.9	Confident	136 Å²	136	80 Å²	80	60%	0.596	41%	0.414	S	S	*	.	S	Bend	trans	-67	-33.4	-178.8	-179.7	-107	0	0	0	112.3	N302 R304 Y401	N302-F403 PolarHBondContact O-N 2.75Å; R304-F403 HydrophobicContact CG-CB 4.33Å; Y401-F403 PolarHBondContact O-N 3.45Å
404	A	77.3	Confident	76.9	Confident	27 Å²	27	79.2 Å²	79.2	22%	0.223	41%	0.412	C	S	.	.	S	Bend	trans	-94	-3.1	-178.8	0	0	0	0	0	112.9	D402 S406 Y407 R408	D402-A404 VanDerWaalsContact C-N 3.29Å; D402-A404 PolarHBondContact O-N 3.38Å; D402-A404 PolarHBondContact OD1-N 2.89Å; A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.41Å; A404-S406 VanDerWaalsContact O-N 3.17Å; A404-Y407 PolarHBondContact O-N 3.37Å; A404-R408 PolarHBondContact O-N 3.41Å
405	G	75.8	Confident	76.2	Confident	31 Å²	31	82.2 Å²	82.2	32%	0.32	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-58.7	-36.3	-167.1	0	0	0	0	0	114	D402 Y407 R408	D402-G405 PolarHBondContact O-N 2.97Å; D402-G405 WeakPolarHBondContact OD2-CA 3.49Å; D402-G405 PolarHBondContact OD2-N 3.48Å; G405-Y407 PolarHBondContact O-N 2.97Å; G405-R408 PolarHBondContact O-N 3.29Å
406	S	74	Confident	75.8	Confident	104 Å²	104	85.7 Å²	85.7	73%	0.727	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19	177.2	54	0	0	0	0	114.4	A404	A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.41Å; A404-S406 VanDerWaalsContact O-N 3.17Å
407	Y	75.7	Confident	75.7	Confident	184 Å²	184	83.5 Å²	83.5	72%	0.722	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-100.6	-11.8	-178.6	-57.8	-75.7	0	0	0	112.6	A404 G405 T409	A404-Y407 PolarHBondContact O-N 3.37Å; G405-Y407 PolarHBondContact O-N 2.97Å; Y407-T409 PolarHBondContact O-N 3.21Å
408	R	72.1	Confident	75.6	Confident	48 Å²	48	89.7 Å²	89.7	18%	0.181	46%	0.46	C	S	.	.			trans	-77.1	116	177.9	-71.4	179.5	171.9	155.3	2.6	109.8	S303 D402 A404 G405 E413 V415	S303-R408 PolarHBondContact OG-NH2 3.32Å; D402-R408 VanDerWaalsContact CG-NH1 3.35Å; D402-R408 IonicContact OD1-NH1 2.64Å; D402-R408 IonicContact OD2-CZ 3.92Å; D402-R408 IonicContact OD2-NE 3.87Å; D402-R408 IonicContact OD2-NH1 3.2Å; D402-R408 PolarHBondContact OD2-NH1 3.18Å; A404-R408 PolarHBondContact O-N 3.41Å; G405-R408 PolarHBondContact O-N 3.29Å; R408-E413 WeakPolarHBondContact CA-OE2 3.21Å; R408-E413 HydrophobicContact CB-CB 4.35Å; R408-E413 HydrophobicContact CG-CB 3.94Å; R408-E413 VanDerWaalsContact CZ-O 3.28Å; R408-E413 PolarHBondContact NE-O 2.91Å; R408-E413 PolarHBondContact NH2-O 3.3Å; R408-V415 VanDerWaalsContact NH2-CG2 3.31Å
409	T	65.6	Low	75.5	Confident	126 Å²	126	91.9 Å²	91.9	77%	0.773	47%	0.474	S	S	*	.			trans	-93	-25.7	178.2	57.7	0	0	0	0	111.8	Y407 E413	Y407-T409 PolarHBondContact O-N 3.21Å; T409-E413 PolarHBondContact N-OE2 3.39Å
410	C	65.7	Low	75.8	Confident	69 Å²	69	86.9 Å²	86.9	47%	0.466	45%	0.452	S	S	.	.	S	Bend	trans	-120.2	143.5	-179.1	-70.3	0	0	0	0	110.8	E412 E413	C410-E412 PolarHBondContact O-N 3.33Å; C410-E413 HydrophobicContact CB-CG 4.24Å; C410-E413 PolarHBondContact N-OE2 3.44Å; C410-E413 WeakPolarHBondContact O-CB 3.42Å; C410-E413 PolarHBondContact O-N 3.17Å; C410-E413 VanDerWaalsContact O-N 3.11Å
411	K	65.1	Low	76	Confident	182 Å²	182	84.8 Å²	84.8	79%	0.791	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-61.9	-25.6	174.5	-73.3	-175.4	176.8	-178.2	0	112.9	E413 L414	K411-E413 PolarHBondContact O-N 2.89Å; K411-L414 VanDerWaalsContact O-CB 3.3Å; K411-L414 WeakPolarHBondContact O-CB 3.29Å; K411-L414 WeakPolarHBondContact O-CD1 3.22Å; K411-L414 VanDerWaalsContact O-CG 3.26Å; K411-L414 WeakPolarHBondContact O-CG 3.39Å; K411-L414 PolarHBondContact O-N 3.38Å
412	E	63.6	Low	76.3	Confident	183 Å²	183	86 Å²	86	86%	0.855	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.8	177.6	-64.1	175.3	-178.6	0	0	112.8	C410 L414	C410-E412 PolarHBondContact O-N 3.33Å; E412-L414 PolarHBondContact O-N 3.18Å
413	E	64	Low	76.6	Confident	92 Å²	92	86.1 Å²	86.1	43%	0.43	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-80.8	-4.8	175.7	-61.7	175.4	148.7	0	0	112.7	R408 T409 C410 K411 V415	R408-E413 WeakPolarHBondContact CA-OE2 3.21Å; R408-E413 HydrophobicContact CB-CB 4.35Å; R408-E413 HydrophobicContact CG-CB 3.94Å; R408-E413 VanDerWaalsContact CZ-O 3.28Å; R408-E413 PolarHBondContact NE-O 2.91Å; R408-E413 PolarHBondContact NH2-O 3.3Å; T409-E413 PolarHBondContact N-OE2 3.39Å; C410-E413 HydrophobicContact CB-CG 4.24Å; C410-E413 PolarHBondContact N-OE2 3.44Å; C410-E413 WeakPolarHBondContact O-CB 3.42Å; C410-E413 PolarHBondContact O-N 3.17Å; C410-E413 VanDerWaalsContact O-N 3.11Å; K411-E413 PolarHBondContact O-N 2.89Å; E413-V415 PolarHBondContact O-N 3.42Å
414	L	67.5	Low	77.1	Confident	52 Å²	52	84.4 Å²	84.4	27%	0.272	43%	0.433	S	S	.	.	S	Bend	trans	-65.2	128.6	173.8	-68.1	171.5	0	0	0	109.4	K411 E412 H416	K411-L414 VanDerWaalsContact O-CB 3.3Å; K411-L414 WeakPolarHBondContact O-CB 3.29Å; K411-L414 WeakPolarHBondContact O-CD1 3.22Å; K411-L414 VanDerWaalsContact O-CG 3.26Å; K411-L414 WeakPolarHBondContact O-CG 3.39Å; K411-L414 PolarHBondContact O-N 3.38Å; E412-L414 PolarHBondContact O-N 3.18Å; L414-H416 PolarHBondContact O-CD2 2.81Å; L414-H416 VanDerWaalsContact O-CD2 3.3Å; L414-H416 PolarHBondContact O-N 3.21Å
415	V	71.8	Confident	77.6	Confident	64 Å²	64	85.6 Å²	85.6	39%	0.388	44%	0.436	S	S	.	.			trans	-64.2	122.1	171.3	176.4	0	0	0	0	107.2	R408 E413 P417	R408-V415 VanDerWaalsContact NH2-CG2 3.31Å; E413-V415 PolarHBondContact O-N 3.42Å; V415-P417 VanDerWaalsContact C-CD 3.42Å; V415-P417 WeakPolarHBondContact O-CD 3.46Å
416	H	76.7	Confident	77.8	Confident	140 Å²	140	84.7 Å²	84.7	65%	0.648	42%	0.423	S	S	*	.			trans	-105.4	78.2	175.6	-66.4	-59.7	0	0	0	109.1	L414	L414-H416 PolarHBondContact O-CD2 2.81Å; L414-H416 VanDerWaalsContact O-CD2 3.3Å; L414-H416 PolarHBondContact O-N 3.21Å
417	P	81.4	Confident	78.1	Confident	25 Å²	25	89.5 Å²	89.5	16%	0.162	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-65.6	156.1	175.9	30.4	-31.2	0	0	0	109.5	E300 L301 V415	E300-P417 HydrophobicContact CB-CB 3.89Å; E300-P417 HydrophobicContact CB-CG 4.11Å; E300-P417 WeakPolarHBondContact OE2-CB 3.22Å; L301-P417 HydrophobicContact CD2-CG 3.63Å; L301-P417 HydrophobicContact CG-CG 3.65Å; V415-P417 VanDerWaalsContact C-CD 3.42Å; V415-P417 WeakPolarHBondContact O-CD 3.46Å
418	E	84.9	Confident	78.1	Confident	133 Å²	133	84.4 Å²	84.4	62%	0.621	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-56.4	138.3	173.3	-66.2	-166.4	168.4	0	0	110.2	W297 R438	W297-E418 PolarHBondContact NE1-O 2.64Å; E418-R438 IonicContact OE2-CZ 2.95Å; E418-R438 IonicContact OE2-NH1 3.75Å; E418-R438 PolarHBondContact OE2-NH1 2.88Å
419	P	86.2	Confident	77.8	Confident	49 Å²	49	86.9 Å²	86.9	32%	0.318	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-57.9	147.7	179.2	23.9	-33.2	0	0	0	111	E391 R438	E391-P419 HydrophobicContact CG-CB 4.07Å; E391-P419 WeakPolarHBondContact OE2-CB 3.49Å; P419-R438 PolarHBondContact O-NH2 3.27Å
420	P	89.4	Confident	77.9	Confident	8 Å²	8	87.2 Å²	87.2	5%	0.052	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-60.5	155	178.2	29.5	-29.9	0	0	0	110.3	Y289 L294 W297 E391 R422	Y289-P420 HydrophobicContact CD1-CB 4.14Å; Y289-P420 HydrophobicContact CD1-CG 3.83Å; Y289-P420 HydrophobicContact CE1-CB 4.45Å; Y289-P420 HydrophobicContact CE1-CG 3.72Å; L294-P420 HydrophobicContact CD1-CG 4.2Å; W297-P420 HydrophobicContact CB-CB 4.18Å; W297-P420 HydrophobicContact CD2-CG 4.1Å; W297-P420 HydrophobicContact CE3-CG 4.39Å; W297-P420 HydrophobicContact CG-CB 4.24Å; W297-P420 HydrophobicContact CG-CG 4.17Å; E391-P420 HydrophobicContact CG-CG 3.88Å; P420-R422 PolarHBondContact O-N 3.2Å
421	I	90.1	Very high	78.2	Confident	64 Å²	64	86 Å²	86	33%	0.328	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-63.9	125.4	178.8	-57.2	176.6	0	0	0	108.8	Y423 P435	I421-Y423 HydrophobicContact CB-CE2 4.1Å; I421-Y423 HydrophobicContact CG2-CD2 4.36Å; I421-Y423 HydrophobicContact CG2-CE2 3.71Å; I421-P435 HydrophobicContact CG2-CB 4.39Å
422	R	92.2	Very high	78.7	Confident	68 Å²	68	81.1 Å²	81.1	26%	0.257	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.9	178.5	-63	174.4	-176.2	177.7	3.7	109.7	Y287 Y289 E391 P420 I436	Y287-R422 HydrophobicContact CD1-CB 4.33Å; Y287-R422 HydrophobicContact CD2-CG 4.11Å; Y287-R422 HydrophobicContact CG-CB 4.12Å; Y287-R422 HydrophobicContact CG-CG 4.11Å; Y289-R422 HydrophobicContact CE1-CG 3.82Å; E391-R422 IonicContact OE1-CZ 2.9Å; E391-R422 IonicContact OE1-NE 2.85Å; E391-R422 PolarHBondContact OE1-NE 3.3Å; E391-R422 IonicContact OE1-NH2 2.72Å; E391-R422 IonicContact OE2-CZ 3.77Å; E391-R422 IonicContact OE2-NE 3.66Å; E391-R422 PolarHBondContact OE2-NE 3.18Å; E391-R422 IonicContact OE2-NH2 3.99Å; E391-R422 PolarHBondContact OE2-NH2 3.49Å; P420-R422 PolarHBondContact O-N 3.2Å; R422-I436 HydrophobicContact CB-CB 4.47Å; R422-I436 PolarHBondContact O-N 3.41Å
423	Y	90.8	Very high	79.5	Confident	24 Å²	24	74.2 Å²	74.2	9%	0.094	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.9	173.2	-63	-94.6	0	0	0	110.3	Y254 S288 Q290 I421 P433 K434 P435	Y254-Y423 HydrophobicContact CD1-CD2 4.19Å; Y254-Y423 HydrophobicContact CD1-CG 4.39Å; Y254-Y423 HydrophobicContact CE1-CD1 4.12Å; Y254-Y423 AromaticContact CE1-CD2 3.84Å; Y254-Y423 HydrophobicContact CE1-CD2 3.84Å; Y254-Y423 HydrophobicContact CE1-CE1 4.06Å; Y254-Y423 AromaticContact CE1-CE2 3.8Å; Y254-Y423 HydrophobicContact CE1-CE2 3.8Å; Y254-Y423 AromaticContact CE1-CG 4Å; Y254-Y423 HydrophobicContact CE1-CG 4Å; Y254-Y423 AromaticContact CE1-CZ 3.91Å; S288-Y423 PolarHBondContact N-O 3.19Å; S288-Y423 WeakPolarHBondContact O-CA 3.46Å; S288-Y423 WeakPolarHBondContact O-CB 3.47Å; S288-Y423 PolarHBondContact O-N 3.25Å; Q290-Y423 HydrophobicContact CB-CE2 3.9Å; I421-Y423 HydrophobicContact CB-CE2 4.1Å; I421-Y423 HydrophobicContact CG2-CD2 4.36Å; I421-Y423 HydrophobicContact CG2-CE2 3.71Å; Y423-P433 HydrophobicContact CD1-CB 3.77Å; Y423-P433 HydrophobicContact CE1-CB 4.25Å; Y423-P433 HydrophobicContact CG-CB 4.45Å; Y423-K434 WeakPolarHBondContact CA-O 3.43Å; Y423-P435 HydrophobicContact CD1-CB 4.23Å; Y423-P435 HydrophobicContact CE1-CB 4.07Å
424	E	89.7	Confident	80.5	Confident	99 Å²	99	76.3 Å²	76.3	46%	0.463	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-62.1	150.4	170	-65.1	-177	167.1	0	0	111	M426 K434 I436	E424-M426 PolarHBondContact O-N 3.45Å; E424-K434 HydrophobicContact CG-CB 4.39Å; E424-K434 PolarHBondContact N-O 3.18Å; E424-I436 HydrophobicContact CG-CD1 3.91Å; E424-I436 HydrophobicContact CG-CG1 3.57Å
425	L	87.1	Confident	81.4	Confident	53 Å²	53	77.9 Å²	77.9	28%	0.277	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65.6	132	175.4	-65.6	176.8	0	0	0	110.5	A256 V284 L374	A256-L425 HydrophobicContact CB-CD2 3.83Å; V284-L425 HydrophobicContact CG1-CD1 4.31Å; V284-L425 HydrophobicContact CG1-CD2 3.66Å; L374-L425 HydrophobicContact CD1-CB 3.86Å; L374-L425 HydrophobicContact CD1-CD1 4.13Å
426	M	80.7	Confident	82.1	Confident	11 Å²	11	77.5 Å²	77.5	5%	0.054	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-84.4	127.1	-175.4	-57.9	-163	-120.8	0	0	110.6	Y254 I370 L374 E424 P433	Y254-M426 HydrophobicContact CD1-CE 3.67Å; Y254-M426 HydrophobicContact CD2-CE 3.68Å; Y254-M426 HydrophobicContact CE1-CE 4.45Å; Y254-M426 HydrophobicContact CE2-CE 4.47Å; Y254-M426 HydrophobicContact CG-CE 3.23Å; I370-M426 HydrophobicContact CB-SD 4.22Å; I370-M426 HydrophobicContact CD1-SD 3.55Å; I370-M426 VanDerWaalsContact CD1-SD 3.55Å; I370-M426 HydrophobicContact CG1-CE 4.46Å; I370-M426 HydrophobicContact CG1-SD 3.83Å; I370-M426 HydrophobicContact CG2-CB 4.15Å; I370-M426 HydrophobicContact CG2-CE 3.61Å; I370-M426 HydrophobicContact CG2-CG 4.29Å; I370-M426 HydrophobicContact CG2-SD 3.34Å; I370-M426 WeakPolarHBondContact CG2-SD 3.37Å; L374-M426 PolarHBondContact N-O 2.94Å; E424-M426 PolarHBondContact O-N 3.45Å; M426-P433 HydrophobicContact CE-CB 4.1Å; M426-P433 HydrophobicContact SD-CB 4.12Å
427	R	80.5	Confident	81.6	Confident	205 Å²	205	79.6 Å²	79.6	77%	0.774	41%	0.409	S	S	*	.			trans	-105	-21.7	178.8	-63.8	-176.9	-180	-179.6	-0.5	113.2
428	T	74.1	Confident	80.7	Confident	78 Å²	78	83.5 Å²	83.5	48%	0.479	42%	0.42	S	S	.	.	S	Bend	trans	-130.9	146.6	177.9	51.5	0	0	0	0	109.3	D430 A431	T428-D430 PolarHBondContact O-N 3.31Å; T428-A431 VanDerWaalsContact OG1-CB 3.25Å; T428-A431 WeakPolarHBondContact OG1-CB 3.26Å
429	K	67.5	Low	78.8	Confident	100 Å²	100	88.4 Å²	88.4	44%	0.435	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.4	-179.4	-71.9	-179.9	179.9	-177.5	0	113.5	I370 V373	I370-K429 WeakPolarHBondContact CD1-O 3.3Å; V373-K429 HydrophobicContact CB-CG 4.44Å; V373-K429 HydrophobicContact CG1-CG 4.35Å; V373-K429 HydrophobicContact CG2-CG 3.91Å
430	D	66.4	Low	76.5	Confident	132 Å²	132	91.8 Å²	91.8	71%	0.706	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-9	-174.4	-46.7	-37.2	0	0	0	112.6	T428 A432	T428-D430 PolarHBondContact O-N 3.31Å; D430-A432 PolarHBondContact O-N 2.96Å
431	A	72.7	Confident	74	Confident	44 Å²	44	100.2 Å²	100.2	36%	0.364	48%	0.483	S	S	.	.	S	Bend	trans	-75.9	127.7	-178.6	0	0	0	0	0	110.9	T428	T428-A431 VanDerWaalsContact OG1-CB 3.25Å; T428-A431 WeakPolarHBondContact OG1-CB 3.26Å
432	A	76.2	Confident	71.3	Confident	79 Å²	79	106.9 Å²	106.9	65%	0.653	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60.2	133.4	170.4	0	0	0	0	0	110.1	D430 K434	D430-A432 PolarHBondContact O-N 2.96Å; A432-K434 PolarHBondContact O-N 3.18Å
433	P	80.2	Confident	68.3	Low	39 Å²	39	108.8 Å²	108.8	25%	0.253	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-65.8	120.4	-178.8	26	-32.9	0	0	0	109.7	Y254 Y423 M426 P435	Y254-P433 HydrophobicContact CD1-CB 4.49Å; Y254-P433 HydrophobicContact CE1-CB 3.92Å; Y254-P433 HydrophobicContact CE1-CG 4.05Å; Y254-P433 HydrophobicContact CE2-CB 4.44Å; Y254-P433 HydrophobicContact CE2-CG 3.92Å; Y254-P433 VanDerWaalsContact OH-CG 3.29Å; Y254-P433 WeakPolarHBondContact OH-CG 3.16Å; Y423-P433 HydrophobicContact CD1-CB 3.77Å; Y423-P433 HydrophobicContact CE1-CB 4.25Å; Y423-P433 HydrophobicContact CG-CB 4.45Å; M426-P433 HydrophobicContact CE-CB 4.1Å; M426-P433 HydrophobicContact SD-CB 4.12Å; P433-P435 WeakPolarHBondContact O-CD 3.26Å
434	K	85.3	Confident	65.5	Low	135 Å²	135	113.8 Å²	113.8	59%	0.587	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-88.7	118.2	179.8	-67.8	178.6	-177.2	176.8	0	109.9	Y423 E424 A432	Y423-K434 WeakPolarHBondContact CA-O 3.43Å; E424-K434 HydrophobicContact CG-CB 4.39Å; E424-K434 PolarHBondContact N-O 3.18Å; A432-K434 PolarHBondContact O-N 3.18Å
435	P	86.5	Confident	62.9	Low	85 Å²	85	117.2 Å²	117.2	55%	0.552	57%	0.573	S	S	*	*	B	Isolated β-bridge	trans	-69.5	136.4	173.7	29.3	-32.8	0	0	0	109.3	I421 Y423 P433	I421-P435 HydrophobicContact CG2-CB 4.39Å; Y423-P435 HydrophobicContact CD1-CB 4.23Å; Y423-P435 HydrophobicContact CE1-CB 4.07Å; P433-P435 WeakPolarHBondContact O-CD 3.26Å
436	I	85.4	Confident	60.4	Low	56 Å²	56	119.2 Å²	119.2	29%	0.287	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-83.7	124.7	174.5	-62.9	170.1	0	0	0	107.3	Y287 R422 E424 R438	Y287-I436 HydrophobicContact CD1-CD1 3.45Å; Y287-I436 VanDerWaalsContact CD1-CD1 3.45Å; Y287-I436 HydrophobicContact CE1-CD1 3.67Å; R422-I436 HydrophobicContact CB-CB 4.47Å; R422-I436 PolarHBondContact O-N 3.41Å; E424-I436 HydrophobicContact CG-CD1 3.91Å; E424-I436 HydrophobicContact CG-CG1 3.57Å; I436-R438 PolarHBondContact O-N 3.3Å
437	E	66.6	Low	58.2	Low	185 Å²	185	125.8 Å²	125.8	86%	0.864	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-54.7	124.6	176.7	-78.1	-172	172.8	0	0	110.5	R439	E437-R439 PolarHBondContact O-N 2.91Å
438	R	61.6	Low	56	Low	107 Å²	107	120.4 Å²	120.4	40%	0.404	64%	0.637	S	S	.	*			trans	-66.1	97.6	172.8	-69.2	-178.9	178.6	171.1	-0.5	108.2	E418 P419 I436 L440	E418-R438 IonicContact OE2-CZ 2.95Å; E418-R438 IonicContact OE2-NH1 3.75Å; E418-R438 PolarHBondContact OE2-NH1 2.88Å; P419-R438 PolarHBondContact O-NH2 3.27Å; I436-R438 PolarHBondContact O-N 3.3Å; R438-L440 PolarHBondContact O-N 3.17Å
439	R	45.9	Very low	54.1	Low	235 Å²	235	127.1 Å²	127.1	89%	0.887	66%	0.66	S	S	*	*			trans	-67.1	87.4	152.7	-103.5	-172.9	-174.2	-175	2.4	106.9	E437 K441	E437-R439 PolarHBondContact O-N 2.91Å; R439-K441 PolarHBondContact O-N 3.39Å
440	L	37.4	Very low	52.5	Low	121 Å²	121	130.5 Å²	130.5	63%	0.634	71%	0.707	S	S	*	*			trans	-58.8	86.2	163.7	-87.7	157.2	0	0	0	107.7	R438 R442	R438-L440 PolarHBondContact O-N 3.17Å; L440-R442 HydrophobicContact CD2-CG 4.47Å; L440-R442 PolarHBondContact O-N 2.82Å
441	K	36.6	Very low	51.9	Low	184 Å²	184	130.5 Å²	130.5	80%	0.8	71%	0.707	S	S	*	*			trans	-70.4	81	151.5	-77.9	-172.2	177.9	-177.7	0	105.5	R439 T443	R439-K441 PolarHBondContact O-N 3.39Å; K441-T443 PolarHBondContact O-N 3.32Å
442	R	33.3	Very low	50.8	Low	204 Å²	204	135 Å²	135	77%	0.77	73%	0.725	S	S	*	*			trans	-60.5	95	156.1	-85.6	-176.3	170.3	179.7	-2.7	105.6	L440 T444	L440-R442 HydrophobicContact CD2-CG 4.47Å; L440-R442 PolarHBondContact O-N 2.82Å; R442-T444 PolarHBondContact O-N 3.11Å; R442-T444 PolarHBondContact O-OG1 3.22Å
443	T	30.2	Very low	49.3	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	73%	0.729	S	S	*	*			trans	-69.2	77.8	155.5	-2.8	0	0	0	0	106.2	K441 Q445	K441-T443 PolarHBondContact O-N 3.32Å; T443-Q445 HydrophobicContact CG2-CB 4.42Å; T443-Q445 HydrophobicContact CG2-CG 4.33Å; T443-Q445 PolarHBondContact O-N 3.38Å
444	T	32.8	Very low	47.5	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	76%	0.757	S	S	*	*			trans	-61.6	80.1	151.9	27.5	0	0	0	0	107.1	R442	R442-T444 PolarHBondContact O-N 3.11Å; R442-T444 PolarHBondContact O-OG1 3.22Å
445	Q	34.3	Very low	45.2	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.804	77%	0.767	S	S	*	*			trans	-130.7	11.6	171.4	-86.3	-170	-18.8	0	0	112.9	T443	T443-Q445 HydrophobicContact CG2-CB 4.42Å; T443-Q445 HydrophobicContact CG2-CG 4.33Å; T443-Q445 PolarHBondContact O-N 3.38Å
446	A	33.5	Very low	42.4	Very low	94 Å²	94	148.5 Å²	148.5	78%	0.777	78%	0.782	S	S	*	*	S	Bend	trans	-122	12.5	-176.4	0	0	0	0	0	116.3
447	V	35.4	Very low	39.4	Very low	150 Å²	150	155.1 Å²	155.1	91%	0.909	82%	0.817	S	S	*	*	S	Bend	trans	-134.3	37.7	175.6	-162.8	0	0	0	0	112.2
448	A	33.6	Very low	37.3	Very low	92 Å²	92	152.8 Å²	152.8	76%	0.76	81%	0.813	S	S	*	*			trans	-125.6	36.3	174	0	0	0	0	0	112.5
449	F	34.2	Very low	35.2	Very low	219 Å²	219	156.6 Å²	156.6	96%	0.961	85%	0.847	S	S	*	*			trans	-111.3	92.1	158.3	-93.5	-85.4	0	0	0	107.5
450	A	35.8	Very low	34.3	Very low	171 Å²	171	149.5 Å²	149.5	100%	1.413	84%	0.844	S	S	*	*			trans	-102.5	0	154.9	0	0	0	0	0	107.6

Retrieved 450 of 450 residues in 1443.5 ms (Link to these results)

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