A0A096MK04_RAT Loading...

alpha-N-acetylneuraminyl-2,3-beta-galactosyl-1,3-N-acetylgalactosaminide6-alpha-sialyltransferase

AlphaFold DB , UniProt , Accession A0A096MK04, Species RAT (Rattus norvegicus, Rat), Gene St6galnac3, Length 305 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	39	Very low	43.9	Very low	248 Å²	248	156.8 Å²	156.8	100%	1.222	83%	0.832	S	S	*	*				0	135.3	0	-116.8	168.7	178.1	0	0	108.3
2	A	37.9	Very low	44.7	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	81%	0.807	S	S	*	*			trans	82.2	105.2	163.1	0	0	0	0	0	121.6
3	C	34	Very low	45.2	Very low	120 Å²	120	146.8 Å²	146.8	81%	0.811	80%	0.801	S	S	*	*			trans	49.4	105.3	134.5	-76.5	0	0	0	0	124.1
4	I	45.5	Very low	46.1	Very low	142 Å²	142	141.9 Å²	141.9	73%	0.728	78%	0.783	S	S	*	*				21.7	119.9	111.7	-53.5	172.6	0	0	0	117.6
5	L	41.8	Very low	46.7	Very low	175 Å²	175	141.9 Å²	141.9	92%	0.916	77%	0.772	S	S	*	*				-142.6	112.8	129.5	-140	84.8	0	0	0	110.6
6	K	42.7	Very low	47.8	Very low	172 Å²	172	140.2 Å²	140.2	75%	0.748	76%	0.76	S	S	*	*			trans	-68.2	122.3	175.7	-78.2	174.3	171.7	173.8	0	110.4	K8	K6-K8 PolarHBondContact O-N 2.85Å
7	R	42.9	Very low	48.8	Very low	253 Å²	253	135.5 Å²	135.5	96%	0.955	75%	0.745	S	S	*	*			trans	-81	102.3	154.5	-74.9	-175.1	177	-176.3	-0.2	108
8	K	50	Low	49.6	Very low	177 Å²	177	132.9 Å²	132.9	77%	0.77	73%	0.73	S	S	*	*			trans	-75.7	142.8	166.8	-75.3	-176.4	177.1	-179.6	0	108.9	K6 A10	K6-K8 PolarHBondContact O-N 2.85Å; K8-A10 PolarHBondContact O-N 3.35Å
9	P	45.7	Very low	50.4	Low	98 Å²	98	129.1 Å²	129.1	64%	0.636	71%	0.712	S	S	*	*			trans	-73.2	119.5	178.3	29.9	-31.1	0	0	0	109.2	L11	P9-L11 PolarHBondContact O-N 2.87Å
10	A	51	Low	51.3	Low	95 Å²	95	128.2 Å²	128.2	79%	0.785	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	23.4	174.4	0	0	0	0	0	113.6	K8	K8-A10 PolarHBondContact O-N 3.35Å
11	L	52.4	Low	51.9	Low	145 Å²	145	127.6 Å²	127.6	76%	0.759	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-15.7	-173.6	-80.8	152.5	0	0	0	113.7	P9	P9-L11 PolarHBondContact O-N 2.87Å
12	A	53.7	Low	52.9	Low	64 Å²	64	120.8 Å²	120.8	53%	0.529	67%	0.669	S	S	.	*	S	Bend	trans	-96.5	-26.7	-176.8	0	0	0	0	0	114.7
13	V	50.8	Low	54.2	Low	120 Å²	120	121.2 Å²	121.2	73%	0.727	66%	0.656	S	S	*	*	H	α-helix	trans	-78.2	-24.8	179	-177.3	0	0	0	0	111.6	F15	V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 3.35Å
14	S	57.3	Low	55.6	Low	78 Å²	78	118.2 Å²	118.2	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-66.6	-33.7	175.6	-179.6	0	0	0	0	112.2	L18	S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 PolarHBondContact O-N 3.14Å; S14-L18 VanDerWaalsContact O-N 3.1Å
15	F	55.7	Low	55.9	Low	141 Å²	141	117.4 Å²	117.4	62%	0.618	64%	0.635	S	S	*	*	H	α-helix	trans	-73.7	-38.5	-175.6	-123.7	-92.1	0	0	0	113.4	V13 L18 C19	V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 3.35Å; F15-L18 PolarHBondContact O-N 2.58Å; F15-C19 PolarHBondContact O-N 3.2Å; F15-C19 PolarHBondContact O-SG 3.13Å; F15-C19 VanDerWaalsContact O-SG 3.33Å
16	I	64.1	Low	56.4	Low	115 Å²	115	119.4 Å²	119.4	59%	0.59	63%	0.63	S	S	*	*	H	α-helix	trans	-73.1	-40.2	-179	-60.9	173.2	0	0	0	110.6	L18 C19 I20	I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 2.84Å; I16-C19 PolarHBondContact O-N 3.01Å; I16-I20 HydrophobicContact CG2-CD1 4.05Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 3.23Å
17	A	64.3	Low	56.9	Low	61 Å²	61	118.1 Å²	118.1	50%	0.504	63%	0.631	S	S	.	*	H	α-helix	trans	-62.7	-39.4	173.6	0	0	0	0	0	111.6	I20 L21	A17-I20 PolarHBondContact O-N 3.21Å; A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 PolarHBondContact O-N 3.46Å
18	L	63.3	Low	57.2	Low	89 Å²	89	109.4 Å²	109.4	47%	0.466	61%	0.613	S	S	.	*	H	α-helix	trans	-65.5	-41	174.8	-162	76.5	0	0	0	111.8	S14 F15 I16 L21 L22	S14-L18 VanDerWaalsContact O-CB 3.3Å; S14-L18 WeakPolarHBondContact O-CB 3.37Å; S14-L18 PolarHBondContact O-N 3.14Å; S14-L18 VanDerWaalsContact O-N 3.1Å; F15-L18 PolarHBondContact O-N 2.58Å; I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 2.84Å; L18-L21 PolarHBondContact O-N 3.01Å; L18-L22 HydrophobicContact CG-CD1 4.17Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CD1 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.77Å
19	C	64.7	Low	57	Low	59 Å²	59	107.4 Å²	107.4	40%	0.399	61%	0.611	S	S	.	*	H	α-helix	trans	-66.3	-39.2	176.7	-75.3	0	0	0	0	113.2	F15 I16 L22 L23	F15-C19 PolarHBondContact O-N 3.2Å; F15-C19 PolarHBondContact O-SG 3.13Å; F15-C19 VanDerWaalsContact O-SG 3.33Å; I16-C19 PolarHBondContact O-N 3.01Å; C19-L22 PolarHBondContact O-N 3.44Å; C19-L23 WeakPolarHBondContact O-CB 3.14Å; C19-L23 PolarHBondContact O-N 3.34Å
20	I	70	Confident	57	Low	111 Å²	111	110.5 Å²	110.5	57%	0.569	62%	0.622	S	S	*	*	H	α-helix	trans	-68.8	-39.2	176.7	-65.7	169.3	0	0	0	110.5	I16 A17 L23 A24	I16-I20 HydrophobicContact CG2-CD1 4.05Å; I16-I20 WeakPolarHBondContact O-CG1 3.25Å; I16-I20 PolarHBondContact O-N 3.23Å; A17-I20 PolarHBondContact O-N 3.21Å; I20-L23 PolarHBondContact O-N 3.38Å; I20-A24 WeakPolarHBondContact O-CB 3.4Å; I20-A24 PolarHBondContact O-N 3.35Å
21	L	63.3	Low	56.4	Low	116 Å²	116	111.8 Å²	111.8	61%	0.607	62%	0.62	S	S	*	*	H	α-helix	trans	-63.1	-42.4	173.5	-152.4	94.5	0	0	0	111.2	A17 L18 L23 A24 M25	A17-L21 WeakPolarHBondContact O-CB 3.43Å; A17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 3.01Å; L21-L23 PolarHBondContact O-N 3.08Å; L21-A24 PolarHBondContact O-N 2.6Å; L21-M25 VanDerWaalsContact O-CB 3.3Å; L21-M25 WeakPolarHBondContact O-CB 3.45Å; L21-M25 WeakPolarHBondContact O-CG 3.4Å; L21-M25 PolarHBondContact O-N 3.38Å
22	L	58.9	Low	55.8	Low	106 Å²	106	110.7 Å²	110.7	56%	0.555	62%	0.619	S	S	*	*	H	α-helix	trans	-67.5	-32.6	177.2	-73.4	166.8	0	0	0	113.1	L18 C19 R26	L18-L22 HydrophobicContact CG-CD1 4.17Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CD1 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.77Å; C19-L22 PolarHBondContact O-N 3.44Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 PolarHBondContact O-N 3.43Å
23	L	66.5	Low	54.7	Low	108 Å²	108	117.3 Å²	117.3	57%	0.565	64%	0.637	S	S	*	*	H	α-helix	trans	-73.4	-41	173.9	-87.9	154.6	0	0	0	112	C19 I20 L21 M25 R26 L27	C19-L23 WeakPolarHBondContact O-CB 3.14Å; C19-L23 PolarHBondContact O-N 3.34Å; I20-L23 PolarHBondContact O-N 3.38Å; L21-L23 PolarHBondContact O-N 3.08Å; L23-M25 VanDerWaalsContact C-N 3.33Å; L23-R26 PolarHBondContact O-N 3.07Å; L23-L27 PolarHBondContact O-N 3.25Å
24	A	62	Low	54.3	Low	57 Å²	57	116 Å²	116	47%	0.471	63%	0.631	S	S	.	*	H	α-helix	trans	-63.7	-39.7	173.2	0	0	0	0	0	111.6	I20 L21 R26 L27 A28	I20-A24 WeakPolarHBondContact O-CB 3.4Å; I20-A24 PolarHBondContact O-N 3.35Å; L21-A24 PolarHBondContact O-N 2.6Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 3.21Å; A24-L27 PolarHBondContact O-N 3.34Å; A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.29Å
25	M	52.2	Low	52.9	Low	126 Å²	126	119.7 Å²	119.7	62%	0.621	64%	0.643	S	S	*	*	H	α-helix	trans	-68.4	-28.9	173.6	-69.2	-72.8	-76.2	0	0	112.7	L21 L23 N29	L21-M25 VanDerWaalsContact O-CB 3.3Å; L21-M25 WeakPolarHBondContact O-CB 3.45Å; L21-M25 WeakPolarHBondContact O-CG 3.4Å; L21-M25 PolarHBondContact O-N 3.38Å; L23-M25 VanDerWaalsContact C-N 3.33Å; M25-N29 WeakPolarHBondContact O-CB 3.46Å
26	R	52.6	Low	51.6	Low	216 Å²	216	119.8 Å²	119.8	82%	0.815	65%	0.65	S	S	*	*	H	α-helix	trans	-74.8	-35.1	171.7	-96.2	-158.1	-177.7	-123.6	5	113.3	L22 L23 A24	L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 PolarHBondContact O-N 3.43Å; L23-R26 PolarHBondContact O-N 3.07Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 3.21Å
27	L	52.7	Low	50	Low	145 Å²	145	120.9 Å²	120.9	76%	0.759	66%	0.656	S	S	*	*	H	α-helix	trans	-77.4	-27.2	178.9	-81.4	159.1	0	0	0	112.8	L23 A24	L23-L27 PolarHBondContact O-N 3.25Å; A24-L27 PolarHBondContact O-N 3.34Å
28	A	50.8	Low	48.3	Very low	70 Å²	70	124.5 Å²	124.5	58%	0.579	67%	0.666	S	S	*	*	S	Bend	trans	-85.8	-7.4	178.6	0	0	0	0	0	114.2	A24 D30	A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.29Å; A28-D30 VanDerWaalsContact C-N 3.28Å; A28-D30 PolarHBondContact O-N 2.91Å
29	N	44.6	Very low	46.6	Very low	136 Å²	136	125 Å²	125	73%	0.727	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	9.4	-171.9	-120.7	18.7	0	0	0	115.2	M25	M25-N29 WeakPolarHBondContact O-CB 3.46Å
30	D	47.1	Very low	45	Very low	162 Å²	162	132 Å²	132	87%	0.866	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	15.4	175.4	-99.1	-18.2	0	0	0	113.8	A28	A28-D30 VanDerWaalsContact C-N 3.28Å; A28-D30 PolarHBondContact O-N 2.91Å
31	V	37.7	Very low	43	Very low	122 Å²	122	130.3 Å²	130.3	74%	0.739	71%	0.71	S	S	*	*	S	Bend	trans	-128.8	116.8	176.6	-168.2	0	0	0	0	111.6
32	T	39.4	Very low	41.9	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	72%	0.723	S	S	*	*			trans	-37.8	136.6	170.7	37.6	0	0	0	0	116.5
33	F	29.9	Very low	40.6	Very low	204 Å²	204	134.2 Å²	134.2	90%	0.895	73%	0.732	S	S	*	*				-174.5	154.7	124.1	-118.8	-107.3	0	0	0	112.3
34	P	43.2	Very low	39.4	Very low	93 Å²	93	139.4 Å²	139.4	60%	0.604	75%	0.75	S	S	*	*			trans	-104.7	148.8	-163.3	37.1	-25.6	0	0	0	114.4
35	L	28.5	Very low	38	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	75%	0.753	S	S	*	*			trans	174	143.1	130.4	-118.5	82.3	0	0	0	112.3
36	L	28.1	Very low	37.2	Very low	144 Å²	144	144.7 Å²	144.7	75%	0.754	77%	0.766	S	S	*	*			trans	83.5	95.6	153.2	-65.8	162.2	0	0	0	120.9
37	L	29.3	Very low	36.2	Very low	138 Å²	138	144.3 Å²	144.3	72%	0.723	77%	0.765	S	S	*	*			trans	48.6	120.3	133	-99.1	85.3	0	0	0	121.8
38	N	28.9	Very low	35.3	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	76%	0.764	S	S	*	*			trans	63.4	127.9	132	-70	-4.2	0	0	0	117.8
39	C	27.9	Very low	34.7	Very low	99 Å²	99	145.4 Å²	145.4	67%	0.669	77%	0.766	S	S	*	*			cis	177.3	144.2	49.4	-121.6	0	0	0	0	112.5
40	F	30.3	Very low	34.6	Very low	208 Å²	208	145.9 Å²	145.9	91%	0.912	77%	0.767	S	S	*	*			trans	75.8	118	154.1	-72.4	-77.3	0	0	0	124.7
41	G	28.4	Very low	34.2	Very low	74 Å²	74	142.7 Å²	142.7	76%	0.763	76%	0.758	S	S	*	*			trans	131.9	99.5	136.5	0	0	0	0	0	117.5
42	Q	41.2	Very low	34.2	Very low	190 Å²	190	145.3 Å²	145.3	89%	0.888	76%	0.756	S	S	*	*			trans	-56.3	151.2	-172.9	-67.2	-175.5	-37.8	0	0	117.3
43	P	31.9	Very low	34.5	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	75%	0.752	S	S	*	*			trans	-127.9	150.7	132	32.5	-19	0	0	0	113.1	T45	P43-T45 PolarHBondContact O-N 3.36Å
44	K	40	Very low	35.2	Very low	217 Å²	217	141.3 Å²	141.3	94%	0.943	74%	0.743	S	S	*	*			trans	-52.9	94	-177.6	-69	172.5	174.5	175.1	0	113.1
45	T	32.8	Very low	35.6	Very low	87 Å²	87	147.7 Å²	147.7	53%	0.534	76%	0.755	S	S	.	*			trans	-96.9	132.9	155	34.3	0	0	0	0	108.2	P43 W47	P43-T45 PolarHBondContact O-N 3.36Å; T45-W47 PolarHBondContact O-N 2.71Å; T45-W47 PolarHBondContact OG1-NE1 2.92Å; T45-W47 VanDerWaalsContact OG1-NE1 3.17Å
46	K	36.3	Very low	37	Very low	207 Å²	207	144.6 Å²	144.6	90%	0.9	74%	0.736	S	S	*	*			trans	-60.1	95.1	160	-101.6	179.2	173.3	178.3	0	106.1	I48	K46-I48 VanDerWaalsContact C-N 3.27Å; K46-I48 PolarHBondContact O-N 3.11Å
47	W	30.2	Very low	39.1	Very low	209 Å²	209	142.9 Å²	142.9	79%	0.792	73%	0.734	S	S	*	*			trans	-67.8	95.5	166.7	-66.9	91.4	0	0	0	106.1	T45 P49	T45-W47 PolarHBondContact O-N 2.71Å; T45-W47 PolarHBondContact OG1-NE1 2.92Å; T45-W47 VanDerWaalsContact OG1-NE1 3.17Å; W47-P49 VanDerWaalsContact O-CD 3.28Å; W47-P49 WeakPolarHBondContact O-CD 3.38Å
48	I	35.3	Very low	41.7	Very low	142 Å²	142	141.9 Å²	141.9	73%	0.728	73%	0.728	S	S	*	*			trans	-64.2	112.7	148.4	-58.5	173.3	0	0	0	102.8	K46 L50	K46-I48 VanDerWaalsContact C-N 3.27Å; K46-I48 PolarHBondContact O-N 3.11Å; I48-L50 PolarHBondContact O-N 3.47Å
49	P	37.3	Very low	44.7	Very low	96 Å²	96	139.9 Å²	139.9	62%	0.623	72%	0.715	S	S	*	*			trans	-63.6	113.2	175.6	21	-18.9	0	0	0	105.1	W47 S51	W47-P49 VanDerWaalsContact O-CD 3.28Å; W47-P49 WeakPolarHBondContact O-CD 3.38Å; P49-S51 PolarHBondContact O-N 3.32Å
50	L	43.9	Very low	48	Very low	145 Å²	145	137.2 Å²	137.2	76%	0.759	70%	0.695	S	S	*	*			trans	-72.6	65.9	164.4	-157.4	85.2	0	0	0	107	I48 Y52	I48-L50 PolarHBondContact O-N 3.47Å; L50-Y52 HydrophobicContact CD1-CD2 3.87Å; L50-Y52 HydrophobicContact CD1-CE2 4.49Å; L50-Y52 HydrophobicContact CG-CD2 4.09Å; L50-Y52 PolarHBondContact O-N 3.09Å
51	S	37.3	Very low	51.1	Low	96 Å²	96	127.8 Å²	127.8	67%	0.671	65%	0.654	S	S	*	*			trans	-73	56.5	157	-54.7	0	0	0	0	107.6	P49 T53	P49-S51 PolarHBondContact O-N 3.32Å; S51-T53 PolarHBondContact O-N 3.39Å
52	Y	38.9	Very low	54.4	Low	176 Å²	176	132.6 Å²	132.6	69%	0.69	65%	0.651	S	S	*	*			trans	-73.2	79.3	152.8	-104.2	-94.5	0	0	0	105	L50 L54	L50-Y52 HydrophobicContact CD1-CD2 3.87Å; L50-Y52 HydrophobicContact CD1-CE2 4.49Å; L50-Y52 HydrophobicContact CG-CD2 4.09Å; L50-Y52 PolarHBondContact O-N 3.09Å; Y52-L54 HydrophobicContact CD1-CD1 4.19Å; Y52-L54 PolarHBondContact O-N 3.03Å
53	T	44.6	Very low	57.1	Low	108 Å²	108	124.3 Å²	124.3	66%	0.663	62%	0.616	S	S	*	*			trans	-51.2	98.5	130.1	38.2	0	0	0	0	103.5	S51 R55	S51-T53 PolarHBondContact O-N 3.39Å; T53-R55 PolarHBondContact O-N 2.8Å
54	L	44.2	Very low	60.3	Low	135 Å²	135	119.2 Å²	119.2	71%	0.707	58%	0.582	S	S	*	*			trans	-58.2	91	161.9	-160.1	92.8	0	0	0	102.7	Y52 Q56	Y52-L54 HydrophobicContact CD1-CD1 4.19Å; Y52-L54 PolarHBondContact O-N 3.03Å; L54-Q56 PolarHBondContact O-N 3.5Å
55	R	51.5	Low	63.1	Low	226 Å²	226	110.2 Å²	110.2	85%	0.853	54%	0.544	S	S	*	.			trans	-60.2	99.4	172.1	-81	-176.1	-177.8	-173.8	0.1	102.3	T53	T53-R55 PolarHBondContact O-N 2.8Å
56	Q	57.8	Low	66.2	Low	90 Å²	90	106.7 Å²	106.7	42%	0.421	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-53.5	136.1	172.6	-68.7	-174.5	-14.6	0	0	105.7	L54 L58 N76	L54-Q56 PolarHBondContact O-N 3.5Å; Q56-L58 PolarHBondContact O-N 3.38Å; Q56-N76 WeakPolarHBondContact CB-ND2 3.23Å; Q56-N76 PolarHBondContact OE1-ND2 3.28Å; Q56-N76 PolarHBondContact OE1-OD1 3.13Å
57	P	73.9	Confident	69.1	Low	108 Å²	108	97.2 Å²	97.2	70%	0.701	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-53.1	136.3	-178.7	19.5	-29.7	0	0	0	108.8	Q59 N76	P57-Q59 PolarHBondContact O-N 2.89Å; P57-N76 PolarHBondContact O-ND2 3.2Å
58	L	83.3	Confident	72.2	Confident	116 Å²	116	92.6 Å²	92.6	61%	0.607	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54.9	136.1	175.5	-70.7	170.7	0	0	0	108.7	Q56 Q74	Q56-L58 PolarHBondContact O-N 3.38Å; L58-Q74 HydrophobicContact CB-CB 4.22Å; L58-Q74 HydrophobicContact CD1-CB 4.2Å
59	Q	91.9	Very high	75.2	Confident	95 Å²	95	89.1 Å²	89.1	44%	0.444	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-97.3	132.2	176.9	-177.5	173	-11.5	0	0	109.3	P57 H61 Q74 L75 N76	P57-Q59 PolarHBondContact O-N 2.89Å; Q59-H61 PolarHBondContact O-CD2 3.04Å; Q59-H61 PolarHBondContact O-NE2 3.39Å; Q59-Q74 VanDerWaalsContact C-OE1 3.23Å; Q59-Q74 WeakPolarHBondContact O-CA 3.4Å; Q59-Q74 PolarHBondContact O-OE1 2.91Å; Q59-L75 PolarHBondContact O-N 3.22Å; Q59-N76 HydrophobicContact CB-CB 4.47Å
60	T	96.2	Very high	78	Confident	43 Å²	43	88.7 Å²	88.7	26%	0.264	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.5	177.2	-47.2	0	0	0	0	110.7	Y62 P72 Q74	T60-Y62 HydrophobicContact CG2-CD1 3.97Å; T60-Y62 HydrophobicContact CG2-CD2 4.17Å; T60-Y62 HydrophobicContact CG2-CE1 3.63Å; T60-Y62 HydrophobicContact CG2-CE2 3.85Å; T60-Y62 HydrophobicContact CG2-CG 4.23Å; T60-P72 HydrophobicContact CG2-CB 3.64Å; T60-P72 HydrophobicContact CG2-CG 3.45Å; T60-P72 VanDerWaalsContact CG2-CG 3.45Å; T60-Q74 VanDerWaalsContact CA-OE1 3.29Å; T60-Q74 PolarHBondContact OG1-NE2 3.38Å; T60-Q74 PolarHBondContact OG1-OE1 2.99Å
61	H	97	Very high	80.6	Confident	10 Å²	10	87.5 Å²	87.5	5%	0.046	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	85.5	176.2	-58.7	-86.1	0	0	0	110.3	Q59 G63 Y64 L73 L75	Q59-H61 PolarHBondContact O-CD2 3.04Å; Q59-H61 PolarHBondContact O-NE2 3.39Å; H61-G63 PolarHBondContact O-N 3.21Å; H61-Y64 HydrophobicContact CB-CD2 3.73Å; H61-Y64 HydrophobicContact CB-CE2 4.16Å; H61-Y64 PolarHBondContact O-N 3.05Å; H61-Y64 VanDerWaalsContact O-N 3.15Å; H61-L73 HydrophobicContact CB-CB 4.22Å; H61-L73 HydrophobicContact CB-CD2 4.47Å; H61-L73 HydrophobicContact CB-CG 4.49Å; H61-L73 PolarHBondContact N-O 3.16Å; H61-L75 PolarHBondContact NE2-O 3.11Å
62	Y	97	Very high	83.5	Confident	175 Å²	175	84.6 Å²	84.6	69%	0.686	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	-17.4	-175.1	-62.9	-79.5	0	0	0	115.2	T60 Y64 P72	T60-Y62 HydrophobicContact CG2-CD1 3.97Å; T60-Y62 HydrophobicContact CG2-CD2 4.17Å; T60-Y62 HydrophobicContact CG2-CE1 3.63Å; T60-Y62 HydrophobicContact CG2-CE2 3.85Å; T60-Y62 HydrophobicContact CG2-CG 4.23Å; Y62-Y64 PolarHBondContact O-N 3.21Å; Y62-P72 HydrophobicContact CD1-CB 4.13Å; Y62-P72 HydrophobicContact CD1-CG 4.26Å; Y62-P72 HydrophobicContact CE1-CG 4.33Å
63	G	97.9	Very high	86.3	Confident	16 Å²	16	76.2 Å²	76.2	17%	0.165	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	-4.9	176.7	0	0	0	0	0	114.8	H61 T189 R192	H61-G63 PolarHBondContact O-N 3.21Å; G63-T189 PolarHBondContact O-N 2.56Å; G63-T189 PolarHBondContact O-OG1 2.81Å; G63-R192 WeakPolarHBondContact O-CB 3.5Å
64	Y	98.5	Very high	88.8	Confident	7 Å²	7	74.7 Å²	74.7	3%	0.027	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.9	-174.9	-45.9	-87.3	0	0	0	109.7	H61 Y62 P72 L73 V153 V187 T188 R192 L224	H61-Y64 HydrophobicContact CB-CD2 3.73Å; H61-Y64 HydrophobicContact CB-CE2 4.16Å; H61-Y64 PolarHBondContact O-N 3.05Å; H61-Y64 VanDerWaalsContact O-N 3.15Å; Y62-Y64 PolarHBondContact O-N 3.21Å; Y64-P72 CarbonylContact O-C 3.55Å; Y64-P72 WeakPolarHBondContact O-CA 3.31Å; Y64-L73 HydrophobicContact CD2-CD2 4.35Å; Y64-L73 HydrophobicContact CG-CD2 4.39Å; Y64-L73 PolarHBondContact O-N 2.96Å; Y64-V153 HydrophobicContact CD1-CG1 3.46Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.46Å; Y64-V153 HydrophobicContact CE1-CG1 3.92Å; Y64-V153 HydrophobicContact CG-CG1 4.29Å; Y64-V187 WeakPolarHBondContact CA-O 3.48Å; Y64-T188 HydrophobicContact CD1-CG2 4.2Å; Y64-T188 HydrophobicContact CE1-CG2 3.94Å; Y64-R192 HydrophobicContact CE1-CG 4.13Å; Y64-R192 HydrophobicContact CE2-CG 4.35Å; Y64-R192 PolarHBondContact OH-NE 3.32Å; Y64-R192 VanDerWaalsContact OH-NE 3.14Å; Y64-L224 HydrophobicContact CD2-CD1 4.14Å; Y64-L224 HydrophobicContact CE1-CD2 4.15Å; Y64-L224 HydrophobicContact CE2-CD1 3.55Å; Y64-L224 HydrophobicContact CE2-CD2 4.4Å; Y64-L224 HydrophobicContact CE2-CG 4.36Å; Y64-L224 WeakPolarHBondContact OH-CB 3.44Å
65	I	98.3	Very high	91.1	Very high	28 Å²	28	68.4 Å²	68.4	14%	0.144	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.5	-169.5	-60.5	-61.1	0	0	0	110.1	V67 Q70 P72 Y186 V187 T189	I65-V67 PolarHBondContact O-N 3.46Å; I65-Q70 HydrophobicContact CG2-CB 4.28Å; I65-P72 HydrophobicContact CD1-CB 4.39Å; I65-Y186 CarbonylContact O-C 3.57Å; I65-Y186 VanDerWaalsContact O-CA 3.28Å; I65-Y186 WeakPolarHBondContact O-CA 3.5Å; I65-V187 PolarHBondContact N-O 3.23Å; I65-V187 PolarHBondContact O-N 2.8Å; I65-T189 HydrophobicContact CG1-CG2 3.57Å
66	N	98.3	Very high	92.9	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.064	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	131.5	176.9	-171.2	-70.6	0	0	0	110.4	R68 T69 Q70 E71 I185 Y186	N66-R68 VanDerWaalsContact C-N 3.29Å; N66-R68 PolarHBondContact O-N 2.96Å; N66-R68 WeakPolarHBondContact OD1-CA 3.31Å; N66-R68 WeakPolarHBondContact OD1-CB 3.46Å; N66-R68 PolarHBondContact OD1-N 2.85Å; N66-T69 VanDerWaalsContact CB-OG1 3.3Å; N66-T69 WeakPolarHBondContact CB-OG1 3.36Å; N66-T69 PolarHBondContact OD1-N 3.37Å; N66-Q70 VanDerWaalsContact O-CA 3.23Å; N66-Q70 WeakPolarHBondContact O-CA 3.44Å; N66-Q70 PolarHBondContact O-N 3.13Å; N66-Q70 PolarHBondContact O-NE2 2.84Å; N66-E71 WeakPolarHBondContact CB-O 3.31Å; N66-E71 PolarHBondContact N-O 3.14Å; N66-I185 WeakPolarHBondContact CA-O 3.48Å; N66-Y186 HydrophobicContact CB-CD1 3.93Å; N66-Y186 HydrophobicContact CB-CE1 3.6Å; N66-Y186 VanDerWaalsContact N-CD1 3.29Å
67	V	97.9	Very high	94.5	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-36	-177.4	175.3	0	0	0	0	111.8	I65 Q70 Y170 L173 V177 I185 V187	I65-V67 PolarHBondContact O-N 3.46Å; V67-Q70 PolarHBondContact O-NE2 3.16Å; V67-Y170 HydrophobicContact CG2-CE2 4.48Å; V67-L173 HydrophobicContact CG1-CB 4.47Å; V67-L173 HydrophobicContact CG2-CB 4.36Å; V67-V177 HydrophobicContact CB-CG1 4.25Å; V67-V177 HydrophobicContact CG1-CG1 4.35Å; V67-V177 HydrophobicContact CG1-CG2 3.97Å; V67-I185 HydrophobicContact CG2-CB 4.36Å; V67-I185 HydrophobicContact CG2-CG2 3.88Å; V67-I185 WeakPolarHBondContact CG2-O 3.48Å; V67-I185 PolarHBondContact N-O 2.98Å; V67-V187 HydrophobicContact CG2-CG1 3.66Å
68	R	96.2	Very high	95.2	Very high	111 Å²	111	53.3 Å²	53.3	42%	0.419	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-57.7	-179	179	-175.6	-76.1	-80.9	5.1	111.6	N66 V177	N66-R68 VanDerWaalsContact C-N 3.29Å; N66-R68 PolarHBondContact O-N 2.96Å; N66-R68 WeakPolarHBondContact OD1-CA 3.31Å; N66-R68 WeakPolarHBondContact OD1-CB 3.46Å; N66-R68 PolarHBondContact OD1-N 2.85Å; R68-V177 HydrophobicContact CB-CB 4.49Å; R68-V177 HydrophobicContact CB-CG2 4.32Å; R68-V177 VanDerWaalsContact NH2-C 3.29Å; R68-V177 PolarHBondContact NH2-O 3.42Å
69	T	96.9	Very high	95.8	Very high	69 Å²	69	52.4 Å²	52.4	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.6	-170.3	67.6	0	0	0	0	113.7	N66 E71	N66-T69 VanDerWaalsContact CB-OG1 3.3Å; N66-T69 WeakPolarHBondContact CB-OG1 3.36Å; N66-T69 PolarHBondContact OD1-N 3.37Å; T69-E71 PolarHBondContact O-N 3.16Å; T69-E71 VanDerWaalsContact O-N 3.16Å; T69-E71 WeakPolarHBondContact OG1-CB 3.13Å; T69-E71 PolarHBondContact OG1-N 3.46Å; T69-E71 PolarHBondContact OG1-OE2 3.45Å
70	Q	96.9	Very high	96.1	Very high	87 Å²	87	48 Å²	48	41%	0.407	23%	0.234	S	C	.	.			trans	59	13.4	-169.7	-56.4	-61.5	-64.8	0	0	114.3	I65 N66 V67	I65-Q70 HydrophobicContact CG2-CB 4.28Å; N66-Q70 VanDerWaalsContact O-CA 3.23Å; N66-Q70 WeakPolarHBondContact O-CA 3.44Å; N66-Q70 PolarHBondContact O-N 3.13Å; N66-Q70 PolarHBondContact O-NE2 2.84Å; V67-Q70 PolarHBondContact O-NE2 3.16Å
71	E	97.8	Very high	96.2	Very high	120 Å²	120	46 Å²	46	56%	0.561	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-82.2	150.3	176.1	-65.4	173.9	146	0	0	111.4	N66 T69	N66-E71 WeakPolarHBondContact CB-O 3.31Å; N66-E71 PolarHBondContact N-O 3.14Å; T69-E71 PolarHBondContact O-N 3.16Å; T69-E71 VanDerWaalsContact O-N 3.16Å; T69-E71 WeakPolarHBondContact OG1-CB 3.13Å; T69-E71 PolarHBondContact OG1-N 3.46Å; T69-E71 PolarHBondContact OG1-OE2 3.45Å
72	P	98.2	Very high	96.3	Very high	35 Å²	35	45.5 Å²	45.5	23%	0.227	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	152.3	175.6	29.6	-35.5	0	0	0	112	T60 Y62 Y64 I65 Q74	T60-P72 HydrophobicContact CG2-CB 3.64Å; T60-P72 HydrophobicContact CG2-CG 3.45Å; T60-P72 VanDerWaalsContact CG2-CG 3.45Å; Y62-P72 HydrophobicContact CD1-CB 4.13Å; Y62-P72 HydrophobicContact CD1-CG 4.26Å; Y62-P72 HydrophobicContact CE1-CG 4.33Å; Y64-P72 CarbonylContact O-C 3.55Å; Y64-P72 WeakPolarHBondContact O-CA 3.31Å; I65-P72 HydrophobicContact CD1-CB 4.39Å; P72-Q74 PolarHBondContact O-N 2.87Å
73	L	98.1	Very high	96.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	131.7	174.3	174.5	64.2	0	0	0	110.6	H61 Y64 L75 I151 V153 Y186 L224	H61-L73 HydrophobicContact CB-CB 4.22Å; H61-L73 HydrophobicContact CB-CD2 4.47Å; H61-L73 HydrophobicContact CB-CG 4.49Å; H61-L73 PolarHBondContact N-O 3.16Å; Y64-L73 HydrophobicContact CD2-CD2 4.35Å; Y64-L73 HydrophobicContact CG-CD2 4.39Å; Y64-L73 PolarHBondContact O-N 2.96Å; L73-L75 HydrophobicContact CD1-CB 4.37Å; L73-L75 HydrophobicContact CD2-CB 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CG-CB 4.12Å; L73-I151 HydrophobicContact CD1-CD1 4.46Å; L73-I151 HydrophobicContact CD1-CG2 3.83Å; L73-V153 HydrophobicContact CD2-CG2 4.27Å; L73-Y186 VanDerWaalsContact CA-CE1 3.43Å; L73-Y186 HydrophobicContact CB-CD1 3.76Å; L73-Y186 HydrophobicContact CB-CE1 3.8Å; L73-Y186 HydrophobicContact CB-CG 4.43Å; L73-Y186 HydrophobicContact CD1-CD1 4.26Å; L73-Y186 HydrophobicContact CD1-CD2 4.18Å; L73-Y186 HydrophobicContact CD1-CE1 4.03Å; L73-Y186 HydrophobicContact CD1-CE2 3.92Å; L73-Y186 HydrophobicContact CD1-CG 4.36Å; L73-L224 HydrophobicContact CD2-CD1 4.33Å; L73-L224 HydrophobicContact CD2-CD2 4.31Å
74	Q	96.2	Very high	96.4	Very high	75 Å²	75	36.9 Å²	36.9	35%	0.35	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110.5	172.7	-67.4	-67	-4.7	0	0	108.5	L58 Q59 T60 P72	L58-Q74 HydrophobicContact CB-CB 4.22Å; L58-Q74 HydrophobicContact CD1-CB 4.2Å; Q59-Q74 VanDerWaalsContact C-OE1 3.23Å; Q59-Q74 WeakPolarHBondContact O-CA 3.4Å; Q59-Q74 PolarHBondContact O-OE1 2.91Å; T60-Q74 VanDerWaalsContact CA-OE1 3.29Å; T60-Q74 PolarHBondContact OG1-NE2 3.38Å; T60-Q74 PolarHBondContact OG1-OE1 2.99Å; P72-Q74 PolarHBondContact O-N 2.87Å
75	L	93.6	Very high	96.4	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.183	C	C	.	.			trans	-148.8	127.8	-175.2	-173.4	66.7	0	0	0	110	Q59 H61 L73 W105 M124 V125 I151 A228	Q59-L75 PolarHBondContact O-N 3.22Å; H61-L75 PolarHBondContact NE2-O 3.11Å; L73-L75 HydrophobicContact CD1-CB 4.37Å; L73-L75 HydrophobicContact CD2-CB 4.37Å; L73-L75 HydrophobicContact CD2-CD2 4.38Å; L73-L75 HydrophobicContact CG-CB 4.12Å; L75-W105 HydrophobicContact CD2-CH2 3.43Å; L75-W105 VanDerWaalsContact CD2-CH2 3.43Å; L75-W105 HydrophobicContact CD2-CZ2 3.55Å; L75-M124 HydrophobicContact CD1-CE 3.88Å; L75-V125 HydrophobicContact CD1-CG2 4.18Å; L75-V125 HydrophobicContact CD2-CG2 3.96Å; L75-I151 HydrophobicContact CD1-CD1 4.38Å; L75-A228 HydrophobicContact CD2-CB 3.86Å; L75-A228 HydrophobicContact CG-CB 4.14Å
76	N	88.8	Confident	96.4	Very high	41 Å²	41	35.9 Å²	35.9	22%	0.219	18%	0.177	C	C	.	.			trans	-142.3	118.1	168.4	-172.9	-1.2	0	0	0	108.9	Q56 P57 Q59	Q56-N76 WeakPolarHBondContact CB-ND2 3.23Å; Q56-N76 PolarHBondContact OE1-ND2 3.28Å; Q56-N76 PolarHBondContact OE1-OD1 3.13Å; P57-N76 PolarHBondContact O-ND2 3.2Å; Q59-N76 HydrophobicContact CB-CB 4.47Å
77	C	91.6	Very high	96.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.7	-176.1	-66	0	0	0	0	109.8	C80 C103 A228 C229 Y230	C77-C80 WeakPolarHBondContact CB-SG 3.34Å; C77-C103 HydrophobicContact CB-CB 3.61Å; C77-C103 WeakPolarHBondContact CB-SG 3.48Å; C77-C103 WeakPolarHBondContact SG-CB 3.3Å; C77-C103 CovalentContact SG-SG 2.03Å; C77-C103 PolarHBondContact SG-SG 3.34Å; C77-A228 WeakPolarHBondContact CB-O 3.34Å; C77-A228 PolarHBondContact N-O 3.49Å; C77-A228 VanDerWaalsContact O-O 3.07Å; C77-C229 VanDerWaalsContact O-CA 3.32Å; C77-C229 WeakPolarHBondContact O-CA 3.45Å; C77-Y230 PolarHBondContact O-N 3.31Å
78	N	89.2	Confident	96.4	Very high	63 Å²	63	35.1 Å²	35.1	34%	0.337	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-75.7	176.4	-168.8	7.8	0	0	0	110.5	S102 Y230 S231	N78-S102 PolarHBondContact N-OG 2.86Å; N78-Y230 WeakPolarHBondContact O-CB 3.47Å; N78-Y230 PolarHBondContact O-N 2.85Å; N78-Y230 VanDerWaalsContact O-N 3.09Å; N78-S231 PolarHBondContact O-N 3.24Å
79	H	95.1	Very high	96.4	Very high	97 Å²	97	29.8 Å²	29.8	45%	0.449	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113	178.6	-56.7	88.1	0	0	0	109.2	S102 C103 S231	H79-S102 PolarHBondContact N-OG 2.77Å; H79-S102 PolarHBondContact O-N 3.37Å; H79-S102 PolarHBondContact O-OG 2.85Å; H79-C103 PolarHBondContact O-N 2.81Å; H79-S231 PolarHBondContact CD2-OG 3.39Å
80	C	98.1	Very high	96.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.4	-177.3	-67.5	0	0	0	0	111.3	C77 C103 W105 C229 S231 H233	C77-C80 WeakPolarHBondContact CB-SG 3.34Å; C80-C103 CarbonylContact C-O 3.56Å; C80-C103 VanDerWaalsContact CA-O 3.28Å; C80-C103 WeakPolarHBondContact CA-O 3.17Å; C80-W105 PolarHBondContact SG-NE1 3.03Å; C80-W105 VanDerWaalsContact SG-NE1 3.4Å; C80-C229 HydrophobicContact CB-CB 3.79Å; C80-C229 WeakPolarHBondContact CB-SG 3.41Å; C80-C229 WeakPolarHBondContact SG-CB 3.45Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 3.49Å; C80-S231 PolarHBondContact N-O 2.77Å; C80-H233 PolarHBondContact O-N 3.2Å
81	A	98.7	Very high	96.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.9	164.3	0	0	0	0	0	108.8	I98 A101 C103 W105 H233 Y235	A81-I98 HydrophobicContact CB-CG2 4.19Å; A81-A101 HydrophobicContact CB-CB 3.55Å; A81-C103 PolarHBondContact N-O 3.22Å; A81-W105 PolarHBondContact O-N 3.44Å; A81-H233 CarbonylContact C-O 3.53Å; A81-H233 WeakPolarHBondContact CA-O 3.24Å; A81-Y235 HydrophobicContact CB-CD2 4.37Å; A81-Y235 HydrophobicContact CB-CE2 3.88Å
82	V	98.8	Very high	96.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.5	173.3	177.1	0	0	0	0	108.2	W105 M107 T221 F222 A225 I232 H233 V234 Y235	V82-W105 HydrophobicContact CB-CB 4.46Å; V82-W105 HydrophobicContact CG2-CB 3.96Å; V82-W105 HydrophobicContact CG2-CG 4.23Å; V82-M107 HydrophobicContact CG1-CE 3.71Å; V82-T221 HydrophobicContact CG1-CG2 4.15Å; V82-F222 HydrophobicContact CG1-CE2 4.19Å; V82-A225 HydrophobicContact CG2-CB 4.46Å; V82-I232 HydrophobicContact CB-CG2 4.35Å; V82-I232 HydrophobicContact CG2-CG2 3.63Å; V82-H233 PolarHBondContact N-O 2.93Å; V82-V234 HydrophobicContact CB-CG2 4.47Å; V82-V234 WeakPolarHBondContact O-CA 3.27Å; V82-Y235 PolarHBondContact O-N 2.93Å
83	V	98.8	Very high	96.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.4	-179.8	-169.9	0	0	0	0	108.9	M89 I98 I104 W105 V119	V83-M89 HydrophobicContact CG1-CE 4.37Å; V83-M89 HydrophobicContact CG1-CG 4.48Å; V83-I98 HydrophobicContact CG2-CD1 3.94Å; V83-I98 HydrophobicContact CG2-CG1 4.36Å; V83-I98 HydrophobicContact CG2-CG2 3.74Å; V83-I104 HydrophobicContact CG2-CG2 4.4Å; V83-W105 PolarHBondContact N-O 3.17Å; V83-V119 HydrophobicContact CG1-CB 4.23Å; V83-V119 HydrophobicContact CG1-CG1 4.35Å
84	S	98.3	Very high	96.5	Very high	8 Å²	8	29.4 Å²	29.4	6%	0.056	16%	0.159	C	C	.	.			trans	-65.1	159.9	172.4	174.6	0	0	0	0	111.1	S86 Y235 G236	S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact OG-N 2.82Å; S84-Y235 WeakPolarHBondContact CB-O 3.33Å; S84-Y235 PolarHBondContact N-O 2.98Å; S84-G236 VanDerWaalsContact CB-C 3.49Å; S84-G236 WeakPolarHBondContact CB-O 3.3Å; S84-G236 PolarHBondContact OG-O 2.96Å
85	N	98.4	Very high	96.6	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.064	14%	0.143	C	C	.	.			trans	-82.3	-7.7	175.8	-69	1	0	0	0	113.2	M107 A110 H254 Y255 Y256	N85-M107 PolarHBondContact ND2-O 3.12Å; N85-M107 PolarHBondContact OD1-O 3.48Å; N85-A110 WeakPolarHBondContact OD1-CB 3.18Å; N85-H254 WeakPolarHBondContact CB-CD2 3.42Å; N85-H254 CarbonylContact O-C 3.59Å; N85-H254 WeakPolarHBondContact O-CA 3.38Å; N85-H254 WeakPolarHBondContact O-CB 3.34Å; N85-Y255 WeakPolarHBondContact O-CD1 3.49Å; N85-Y255 PolarHBondContact O-N 2.87Å; N85-Y256 HydrophobicContact CB-CE1 4.04Å; N85-Y256 PolarHBondContact ND2-OH 2.04Å
86	S	98.1	Very high	96.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	17%	0.172	C	C	.	.	S	Bend	trans	-53.7	146.3	-172.9	177.5	0	0	0	0	114.5	S84 Q88 M89 G236 Y253 E262	S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact OG-N 2.82Å; S86-Q88 PolarHBondContact O-N 3.26Å; S86-Q88 VanDerWaalsContact O-N 3.14Å; S86-Q88 WeakPolarHBondContact OG-CB 3.39Å; S86-Q88 VanDerWaalsContact OG-CG 3.26Å; S86-Q88 WeakPolarHBondContact OG-CG 3.44Å; S86-Q88 PolarHBondContact OG-N 3.37Å; S86-M89 PolarHBondContact O-N 2.85Å; S86-G236 WeakPolarHBondContact CB-O 2.99Å; S86-Y253 WeakPolarHBondContact CA-O 3.43Å; S86-E262 VanDerWaalsContact CB-OE1 3.27Å; S86-E262 WeakPolarHBondContact CB-OE1 3.41Å; S86-E262 PolarHBondContact OG-OE1 2.94Å
87	G	98	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.8	-9.7	167.6	0	0	0	0	0	114.9	M89 V90 P252	G87-M89 PolarHBondContact O-N 2.79Å; G87-M89 VanDerWaalsContact O-N 3.16Å; G87-V90 WeakPolarHBondContact O-CB 3.47Å; G87-V90 WeakPolarHBondContact O-CG2 3.41Å; G87-V90 PolarHBondContact O-N 2.95Å; G87-V90 VanDerWaalsContact O-N 3.09Å; G87-P252 VanDerWaalsContact CA-O 3.22Å; G87-P252 WeakPolarHBondContact CA-O 3.4Å; G87-P252 PolarHBondContact N-O 3.34Å; G87-P252 VanDerWaalsContact N-O 3.16Å
88	Q	97.8	Very high	97.6	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.023	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.8	171.6	-63.8	-58	-20.7	0	0	112.1	S86 V90 Q92 I238 V251 E262 H299	S86-Q88 PolarHBondContact O-N 3.26Å; S86-Q88 VanDerWaalsContact O-N 3.14Å; S86-Q88 WeakPolarHBondContact OG-CB 3.39Å; S86-Q88 VanDerWaalsContact OG-CG 3.26Å; S86-Q88 WeakPolarHBondContact OG-CG 3.44Å; S86-Q88 PolarHBondContact OG-N 3.37Å; Q88-V90 VanDerWaalsContact C-N 3.25Å; Q88-V90 PolarHBondContact O-N 3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-NE2 3.06Å; Q88-I238 HydrophobicContact CG-CG2 3.59Å; Q88-V251 HydrophobicContact CG-CG2 4.16Å; Q88-V251 VanDerWaalsContact NE2-CG2 3.28Å; Q88-E262 PolarHBondContact NE2-OE2 2.9Å; Q88-H299 WeakPolarHBondContact CB-O 3.32Å
89	M	98.3	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.7	176.9	-68.9	-54	-60.5	0	0	114	V83 S86 G87 G91 Q92 V94 I98 D118 V119 G236 Y255	V83-M89 HydrophobicContact CG1-CE 4.37Å; V83-M89 HydrophobicContact CG1-CG 4.48Å; S86-M89 PolarHBondContact O-N 2.85Å; G87-M89 PolarHBondContact O-N 2.79Å; G87-M89 VanDerWaalsContact O-N 3.16Å; M89-G91 PolarHBondContact O-N 3.23Å; M89-Q92 WeakPolarHBondContact O-CG 3.35Å; M89-Q92 PolarHBondContact O-N 2.88Å; M89-V94 HydrophobicContact CE-CG2 3.78Å; M89-I98 HydrophobicContact CE-CD1 3.88Å; M89-D118 WeakPolarHBondContact CE-O 3.48Å; M89-D118 WeakPolarHBondContact O-CB 3.49Å; M89-D118 VanDerWaalsContact O-CG 3.3Å; M89-V119 HydrophobicContact CB-CG1 3.8Å; M89-V119 HydrophobicContact CE-CG1 4.01Å; M89-V119 HydrophobicContact CG-CG1 4.16Å; M89-G236 WeakPolarHBondContact SD-CA 3.44Å; M89-G236 PolarHBondContact SD-N 3.33Å; M89-G236 VanDerWaalsContact SD-N 3.44Å; M89-Y255 HydrophobicContact CB-CD1 4.16Å; M89-Y255 HydrophobicContact CB-CG 4.38Å; M89-Y255 HydrophobicContact CG-CD1 4.39Å
90	V	97.1	Very high	98.1	Very high	56 Å²	56	36.3 Å²	36.3	34%	0.339	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	121.6	-176.3	-179.9	0	0	0	0	111.1	G87 Q88 R249	G87-V90 WeakPolarHBondContact O-CB 3.47Å; G87-V90 WeakPolarHBondContact O-CG2 3.41Å; G87-V90 PolarHBondContact O-N 2.95Å; G87-V90 VanDerWaalsContact O-N 3.09Å; Q88-V90 VanDerWaalsContact C-N 3.25Å; Q88-V90 PolarHBondContact O-N 3Å; V90-R249 PolarHBondContact O-NH2 3.33Å
91	G	97.1	Very high	97.9	Very high	49 Å²	49	37.3 Å²	37.3	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	14.3	178.8	0	0	0	0	0	115	M89 D118	M89-G91 PolarHBondContact O-N 3.23Å; G91-D118 VanDerWaalsContact C-OD1 3.25Å; G91-D118 VanDerWaalsContact CA-OD1 3.23Å; G91-D118 WeakPolarHBondContact CA-OD1 3.39Å; G91-D118 PolarHBondContact N-OD1 3.19Å; G91-D118 VanDerWaalsContact N-OD1 3.13Å; G91-D118 PolarHBondContact N-OD2 3Å
92	Q	97.7	Very high	97.6	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.243	21%	0.209	C	C	.	.			trans	-77.8	-26	178.8	-60.6	-58.8	-22.6	0	0	112.9	Q88 M89 V94 D118 H299	Q88-Q92 WeakPolarHBondContact O-CG 3.37Å; Q88-Q92 PolarHBondContact O-NE2 3.06Å; M89-Q92 WeakPolarHBondContact O-CG 3.35Å; M89-Q92 PolarHBondContact O-N 2.88Å; Q92-V94 HydrophobicContact CB-CG1 4.45Å; Q92-V94 HydrophobicContact CB-CG2 4.03Å; Q92-V94 WeakPolarHBondContact O-CG1 3.38Å; Q92-V94 PolarHBondContact O-N 3.24Å; Q92-D118 PolarHBondContact N-OD1 3.4Å; Q92-H299 HydrophobicContact CG-CB 4.19Å; Q92-H299 PolarHBondContact OE1-CD2 2.63Å
93	K	98.2	Very high	97.5	Very high	133 Å²	133	40.4 Å²	40.4	58%	0.578	21%	0.211	S	C	*	.			trans	55.7	33.8	177.3	-53.8	-175.9	172.6	-125.6	0	114.7	E117 D118	K93-E117 CarbonylContact C-O 3.46Å; K93-E117 WeakPolarHBondContact CA-O 3.32Å; K93-E117 HydrophobicContact CB-CG 4.18Å; K93-E117 VanDerWaalsContact CD-OE1 3.27Å; K93-E117 WeakPolarHBondContact CD-OE1 3.43Å; K93-E117 VanDerWaalsContact CE-OE1 3.29Å; K93-E117 WeakPolarHBondContact CE-OE1 3.4Å; K93-E117 HydrophobicContact CG-CG 3.99Å; K93-E117 IonicContact NZ-OE1 3.89Å; K93-E117 PolarHBondContact NZ-OE1 3.18Å; K93-E117 IonicContact NZ-OE2 3.72Å; K93-D118 PolarHBondContact N-OD1 2.92Å
94	V	98.4	Very high	97.5	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	21%	0.213	C	C	.	.			trans	-103.2	14.1	-177.6	-64.7	0	0	0	0	113.4	M89 Q92 E96 E97 I98 E117 D118 Y235 H299	M89-V94 HydrophobicContact CE-CG2 3.78Å; Q92-V94 HydrophobicContact CB-CG1 4.45Å; Q92-V94 HydrophobicContact CB-CG2 4.03Å; Q92-V94 WeakPolarHBondContact O-CG1 3.38Å; Q92-V94 PolarHBondContact O-N 3.24Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.89Å; V94-E97 HydrophobicContact CB-CB 4.44Å; V94-E97 WeakPolarHBondContact O-CB 3.24Å; V94-E97 PolarHBondContact O-N 2.69Å; V94-E97 VanDerWaalsContact O-N 3.07Å; V94-I98 HydrophobicContact CG2-CD1 3.96Å; V94-I98 HydrophobicContact CG2-CG1 4.5Å; V94-I98 WeakPolarHBondContact O-CG1 2.88Å; V94-I98 PolarHBondContact O-N 2.92Å; V94-E117 PolarHBondContact N-O 3.42Å; V94-D118 WeakPolarHBondContact CG2-O 3.28Å; V94-Y235 HydrophobicContact CG2-CD1 4.07Å; V94-Y235 HydrophobicContact CG2-CE1 4.38Å; V94-H299 WeakPolarHBondContact CG1-NE2 3.45Å
95	G	98.6	Very high	97.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-176.7	0	0	0	0	0	114	E97 I98 D99 E116 E117 G120	G95-E97 VanDerWaalsContact C-N 3.3Å; G95-E97 PolarHBondContact O-N 3.06Å; G95-I98 PolarHBondContact O-N 2.87Å; G95-D99 PolarHBondContact O-N 3.03Å; G95-E116 WeakPolarHBondContact CA-O 3.48Å; G95-E117 WeakPolarHBondContact CA-O 3.41Å; G95-E117 PolarHBondContact N-O 3.06Å; G95-G120 VanDerWaalsContact CA-CA 3.49Å
96	E	98.3	Very high	97.5	Very high	135 Å²	135	39.9 Å²	39.9	63%	0.631	21%	0.207	S	C	*	.	H	α-helix	trans	-64.9	-35	176	-163.3	-164.8	152.9	0	0	112.1	V94 R100	V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.89Å; E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.07Å; E96-R100 IonicContact OE1-CZ 3.73Å; E96-R100 IonicContact OE1-NE 2.8Å; E96-R100 IonicContact OE1-NH2 3.05Å; E96-R100 PolarHBondContact OE1-NH2 2.78Å; E96-R100 IonicContact OE2-NH2 2.62Å
97	E	98	Very high	97.5	Very high	80 Å²	80	40.3 Å²	40.3	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-46.7	175.5	-172.3	-167.8	129.2	0	0	111	V94 G95 D99 R100 H233 Y235	V94-E97 HydrophobicContact CB-CB 4.44Å; V94-E97 WeakPolarHBondContact O-CB 3.24Å; V94-E97 PolarHBondContact O-N 2.69Å; V94-E97 VanDerWaalsContact O-N 3.07Å; G95-E97 VanDerWaalsContact C-N 3.3Å; G95-E97 PolarHBondContact O-N 3.06Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.87Å; E97-R100 WeakPolarHBondContact O-CB 3.22Å; E97-R100 PolarHBondContact O-N 2.76Å; E97-H233 IonicContact OE1-CE1 3.53Å; E97-H233 PolarHBondContact OE1-CE1 2.86Å; E97-H233 IonicContact OE1-ND1 2.55Å; E97-Y235 WeakPolarHBondContact OE1-CE1 3.4Å; E97-Y235 PolarHBondContact OE1-OH 3.39Å
98	I	98.6	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.1	-45.7	177.7	-71.3	165.4	0	0	0	110.6	A81 V83 M89 V94 G95 R100 A101 I104 Y235	A81-I98 HydrophobicContact CB-CG2 4.19Å; V83-I98 HydrophobicContact CG2-CD1 3.94Å; V83-I98 HydrophobicContact CG2-CG1 4.36Å; V83-I98 HydrophobicContact CG2-CG2 3.74Å; M89-I98 HydrophobicContact CE-CD1 3.88Å; V94-I98 HydrophobicContact CG2-CD1 3.96Å; V94-I98 HydrophobicContact CG2-CG1 4.5Å; V94-I98 WeakPolarHBondContact O-CG1 2.88Å; V94-I98 PolarHBondContact O-N 2.92Å; G95-I98 PolarHBondContact O-N 2.87Å; I98-R100 PolarHBondContact O-N 2.79Å; I98-A101 VanDerWaalsContact O-CB 3.3Å; I98-A101 WeakPolarHBondContact O-CB 3.18Å; I98-A101 PolarHBondContact O-N 3.49Å; I98-I104 HydrophobicContact CG2-CG1 4.31Å; I98-I104 HydrophobicContact CG2-CG2 3.87Å; I98-Y235 HydrophobicContact CD1-CD1 4.21Å; I98-Y235 HydrophobicContact CD1-CD2 4.46Å; I98-Y235 HydrophobicContact CD1-CG 4.14Å; I98-Y235 HydrophobicContact CG1-CD1 4.03Å; I98-Y235 HydrophobicContact CG1-CD2 3.98Å; I98-Y235 HydrophobicContact CG1-CE1 3.94Å; I98-Y235 HydrophobicContact CG1-CE2 3.9Å; I98-Y235 HydrophobicContact CG1-CG 4.05Å
99	D	97.9	Very high	97.6	Very high	31 Å²	31	42.8 Å²	42.8	17%	0.166	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-7.4	-175.9	-69.4	-29	0	0	0	113.7	G95 E97 A101 G120 Y121 M122	G95-D99 PolarHBondContact O-N 3.03Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.87Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-G120 VanDerWaalsContact OD2-CA 3.22Å; D99-G120 WeakPolarHBondContact OD2-CA 3.3Å; D99-Y121 HydrophobicContact CB-CE1 4.32Å; D99-Y121 PolarHBondContact OD1-N 2.86Å; D99-Y121 WeakPolarHBondContact OD2-CD1 3.34Å; D99-Y121 WeakPolarHBondContact OD2-CE1 3.45Å; D99-Y121 PolarHBondContact OD2-N 3.3Å; D99-M122 HydrophobicContact CB-CG 4.35Å; D99-M122 VanDerWaalsContact OD1-CB 3.3Å; D99-M122 WeakPolarHBondContact OD1-CB 3.29Å; D99-M122 PolarHBondContact OD1-N 3.24Å
100	R	96.1	Very high	97.5	Very high	180 Å²	180	42.8 Å²	42.8	68%	0.679	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.7	169.5	-68.8	167.2	-173.3	177.8	2.2	113.1	E96 E97 I98	E96-R100 WeakPolarHBondContact O-CG 3.46Å; E96-R100 PolarHBondContact O-N 3.07Å; E96-R100 IonicContact OE1-CZ 3.73Å; E96-R100 IonicContact OE1-NE 2.8Å; E96-R100 IonicContact OE1-NH2 3.05Å; E96-R100 PolarHBondContact OE1-NH2 2.78Å; E96-R100 IonicContact OE2-NH2 2.62Å; E97-R100 WeakPolarHBondContact O-CB 3.22Å; E97-R100 PolarHBondContact O-N 2.76Å; I98-R100 PolarHBondContact O-N 2.79Å
101	A	95.7	Very high	97.5	Very high	23 Å²	23	41.5 Å²	41.5	19%	0.19	22%	0.215	C	C	.	.	S	Bend	trans	-68.8	150.1	178.5	0	0	0	0	0	111.7	A81 I98 D99 C103 I104	A81-A101 HydrophobicContact CB-CB 3.55Å; I98-A101 VanDerWaalsContact O-CB 3.3Å; I98-A101 WeakPolarHBondContact O-CB 3.18Å; I98-A101 PolarHBondContact O-N 3.49Å; D99-A101 VanDerWaalsContact C-N 3.33Å; A101-C103 VanDerWaalsContact C-N 3.33Å; A101-C103 PolarHBondContact O-N 2.87Å; A101-I104 HydrophobicContact CB-CG1 4.36Å; A101-I104 WeakPolarHBondContact O-CD1 3.31Å
102	S	91.1	Very high	97.6	Very high	62 Å²	62	39.6 Å²	39.6	43%	0.434	19%	0.194	S	C	.	.	S	Bend	trans	-71.7	-27.5	-179.6	61.9	0	0	0	0	113.6	N78 H79	N78-S102 PolarHBondContact N-OG 2.86Å; H79-S102 PolarHBondContact N-OG 2.77Å; H79-S102 PolarHBondContact O-N 3.37Å; H79-S102 PolarHBondContact O-OG 2.85Å
103	C	96.4	Very high	97.5	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	122.5	173.9	-76.8	0	0	0	0	109.5	C77 H79 C80 A81 A101 M124	C77-C103 HydrophobicContact CB-CB 3.61Å; C77-C103 WeakPolarHBondContact CB-SG 3.48Å; C77-C103 WeakPolarHBondContact SG-CB 3.3Å; C77-C103 CovalentContact SG-SG 2.03Å; C77-C103 PolarHBondContact SG-SG 3.34Å; H79-C103 PolarHBondContact O-N 2.81Å; C80-C103 CarbonylContact C-O 3.56Å; C80-C103 VanDerWaalsContact CA-O 3.28Å; C80-C103 WeakPolarHBondContact CA-O 3.17Å; A81-C103 PolarHBondContact N-O 3.22Å; A101-C103 VanDerWaalsContact C-N 3.33Å; A101-C103 PolarHBondContact O-N 2.87Å; C103-M124 HydrophobicContact CB-SD 4.08Å; C103-M124 PolarHBondContact SG-SD 2.9Å
104	I	98.6	Very high	97.5	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.6	177.9	-57	83.3	0	0	0	109.1	V83 I98 A101 M122 M124 V125	V83-I104 HydrophobicContact CG2-CG2 4.4Å; I98-I104 HydrophobicContact CG2-CG1 4.31Å; I98-I104 HydrophobicContact CG2-CG2 3.87Å; A101-I104 HydrophobicContact CB-CG1 4.36Å; A101-I104 WeakPolarHBondContact O-CD1 3.31Å; I104-M122 HydrophobicContact CD1-CB 3.98Å; I104-M122 HydrophobicContact CG1-CB 4.35Å; I104-M122 WeakPolarHBondContact CG2-O 3.27Å; I104-M124 PolarHBondContact O-N 3.34Å; I104-V125 PolarHBondContact O-N 3.46Å
105	W	98.8	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131	-175.8	-63.5	68.9	0	0	0	110.3	L75 C80 A81 V82 V83 V125 V127 T221 L224 A228	L75-W105 HydrophobicContact CD2-CH2 3.43Å; L75-W105 VanDerWaalsContact CD2-CH2 3.43Å; L75-W105 HydrophobicContact CD2-CZ2 3.55Å; C80-W105 PolarHBondContact SG-NE1 3.03Å; C80-W105 VanDerWaalsContact SG-NE1 3.4Å; A81-W105 PolarHBondContact O-N 3.44Å; V82-W105 HydrophobicContact CB-CB 4.46Å; V82-W105 HydrophobicContact CG2-CB 3.96Å; V82-W105 HydrophobicContact CG2-CG 4.23Å; V83-W105 PolarHBondContact N-O 3.17Å; W105-V125 CarbonylContact C-O 3.59Å; W105-V125 VanDerWaalsContact CA-O 3.28Å; W105-V125 WeakPolarHBondContact CA-O 3.36Å; W105-V125 HydrophobicContact CD2-CB 3.72Å; W105-V125 HydrophobicContact CD2-CG1 4.14Å; W105-V125 HydrophobicContact CD2-CG2 4.19Å; W105-V125 HydrophobicContact CE3-CB 3.64Å; W105-V125 HydrophobicContact CE3-CG1 3.51Å; W105-V125 HydrophobicContact CE3-CG2 4.34Å; W105-V125 HydrophobicContact CG-CB 4.28Å; W105-V125 HydrophobicContact CH2-CB 4.26Å; W105-V125 HydrophobicContact CH2-CG1 3.99Å; W105-V125 HydrophobicContact CH2-CG2 4.14Å; W105-V125 HydrophobicContact CZ2-CB 4.36Å; W105-V125 HydrophobicContact CZ2-CG2 4.01Å; W105-V125 HydrophobicContact CZ3-CB 3.93Å; W105-V125 HydrophobicContact CZ3-CG1 3.43Å; W105-V125 VanDerWaalsContact CZ3-CG1 3.43Å; W105-V125 HydrophobicContact CZ3-CG2 4.32Å; W105-V127 HydrophobicContact CE3-CG2 4.14Å; W105-V127 HydrophobicContact CZ3-CG2 4.25Å; W105-T221 HydrophobicContact CE3-CG2 4.15Å; W105-L224 HydrophobicContact CH2-CD1 4.45Å; W105-L224 HydrophobicContact CH2-CD2 4.04Å; W105-L224 HydrophobicContact CH2-CG 3.67Å; W105-L224 HydrophobicContact CZ3-CB 4.32Å; W105-L224 HydrophobicContact CZ3-CD2 3.75Å; W105-L224 HydrophobicContact CZ3-CG 3.69Å; W105-A228 HydrophobicContact CH2-CB 4.28Å; W105-A228 HydrophobicContact CZ2-CB 4.18Å
106	R	98.8	Very high	97.4	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	166.2	176.2	-60.3	-171.3	-168.5	-90.9	-4.3	111.1	T112 V119 G120 M122 T123 V125 R126 V127	R106-T112 VanDerWaalsContact NE-CG2 3.26Å; R106-V119 PolarHBondContact NH1-O 3.28Å; R106-V119 PolarHBondContact NH2-O 3.21Å; R106-G120 PolarHBondContact NH2-O 2.7Å; R106-M122 PolarHBondContact NE-O 2.84Å; R106-M122 VanDerWaalsContact NE-O 3.07Å; R106-M122 PolarHBondContact NH2-O 3.31Å; R106-T123 HydrophobicContact CB-CG2 4.11Å; R106-T123 WeakPolarHBondContact CD-OG1 3.18Å; R106-T123 HydrophobicContact CG-CG2 4.03Å; R106-T123 PolarHBondContact NE-OG1 3Å; R106-V125 PolarHBondContact N-O 3.3Å; R106-R126 VanDerWaalsContact O-CA 3.29Å; R106-R126 WeakPolarHBondContact O-CA 3.45Å; R106-V127 PolarHBondContact O-N 3.49Å
107	M	98.8	Very high	97.5	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.054	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.8	-176	-59.1	179.5	-155.8	0	0	112.2	V82 N85 A110 V127 T217 T221	V82-M107 HydrophobicContact CG1-CE 3.71Å; N85-M107 PolarHBondContact ND2-O 3.12Å; N85-M107 PolarHBondContact OD1-O 3.48Å; M107-A110 WeakPolarHBondContact O-CB 3.35Å; M107-A110 PolarHBondContact O-N 3.02Å; M107-V127 CarbonylContact C-O 3.16Å; M107-V127 VanDerWaalsContact CA-O 3.28Å; M107-V127 WeakPolarHBondContact CA-O 3.19Å; M107-T217 HydrophobicContact CB-CG2 3.86Å; M107-T217 HydrophobicContact CG-CG2 3.98Å; M107-T217 HydrophobicContact SD-CG2 4.2Å; M107-T221 HydrophobicContact CE-CG2 3.82Å
108	N	98.6	Very high	97.5	Very high	20 Å²	20	41 Å²	41	11%	0.107	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-139.1	172.6	-59.4	-43.4	0	0	0	112.7	A110 R126 V127 V128 S129 S132 T217	N108-A110 VanDerWaalsContact C-N 3.32Å; N108-A110 PolarHBondContact O-N 2.94Å; N108-R126 WeakPolarHBondContact O-CD 3.39Å; N108-R126 PolarHBondContact O-NH1 2.83Å; N108-V127 PolarHBondContact N-O 3.04Å; N108-V128 WeakPolarHBondContact OD1-CA 2.98Å; N108-S129 PolarHBondContact OD1-N 3.22Å; N108-S132 WeakPolarHBondContact CB-OG 3.45Å; N108-S132 PolarHBondContact OD1-OG 3.41Å; N108-T217 PolarHBondContact ND2-OG1 3.49Å; N108-T217 PolarHBondContact OD1-OG1 3.33Å
109	N	97.7	Very high	97.5	Very high	37 Å²	37	41 Å²	41	20%	0.198	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	17	-177.4	66.4	-66.1	0	0	0	114	P111 L135 L136 F143	N109-P111 WeakPolarHBondContact O-CD 3.37Å; N109-L135 HydrophobicContact CB-CB 4.01Å; N109-L136 HydrophobicContact CB-CD1 3.81Å; N109-F143 HydrophobicContact CB-CZ 4.21Å
110	A	98.1	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.			trans	-62.2	116.2	-177.1	0	0	0	0	0	111.3	N85 M107 N108 R126 Y255 Y256	N85-A110 WeakPolarHBondContact OD1-CB 3.18Å; M107-A110 WeakPolarHBondContact O-CB 3.35Å; M107-A110 PolarHBondContact O-N 3.02Å; N108-A110 VanDerWaalsContact C-N 3.32Å; N108-A110 PolarHBondContact O-N 2.94Å; A110-R126 VanDerWaalsContact O-CZ 3.27Å; A110-R126 PolarHBondContact O-NH1 3.3Å; A110-R126 PolarHBondContact O-NH2 3.13Å; A110-Y255 HydrophobicContact CB-CE1 4.35Å; A110-Y255 WeakPolarHBondContact CB-OH 3.06Å; A110-Y256 HydrophobicContact CB-CD1 4.03Å; A110-Y256 HydrophobicContact CB-CE1 3.44Å; A110-Y256 VanDerWaalsContact CB-CE1 3.44Å
111	P	97.1	Very high	97.6	Very high	29 Å²	29	37.6 Å²	37.6	19%	0.188	20%	0.203	C	C	.	.			trans	-79.3	155.5	-175.3	33.8	-34.2	0	0	0	111.5	N109 F115 Y255 Y256	N109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-F115 HydrophobicContact CG-CD2 4.08Å; P111-F115 HydrophobicContact CG-CE2 4.01Å; P111-Y255 WeakPolarHBondContact O-CE2 3.4Å; P111-Y255 PolarHBondContact O-OH 2.62Å; P111-Y256 HydrophobicContact CG-CD1 4.5Å; P111-Y256 HydrophobicContact CG-CD2 4.4Å; P111-Y256 HydrophobicContact CG-CG 3.92Å
112	T	97.8	Very high	97.6	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	21%	0.214	C	C	.	.			trans	-99.3	-34.3	165.1	51.4	0	0	0	0	111.4	R106 G114 F115 E116 G120 Y142	R106-T112 VanDerWaalsContact NE-CG2 3.26Å; T112-G114 PolarHBondContact O-N 3.19Å; T112-F115 CarbonylContact O-C 3.58Å; T112-F115 WeakPolarHBondContact O-CA 3.49Å; T112-F115 PolarHBondContact O-N 3.25Å; T112-E116 VanDerWaalsContact O-CD 3.28Å; T112-E116 PolarHBondContact O-N 2.92Å; T112-G120 WeakPolarHBondContact CB-O 3.31Å; T112-G120 VanDerWaalsContact CG2-O 3.31Å; T112-G120 WeakPolarHBondContact CG2-O 3.29Å; T112-Y142 PolarHBondContact N-OH 2.7Å; T112-Y142 PolarHBondContact OG1-OH 2.8Å; T112-Y142 VanDerWaalsContact OG1-OH 3.13Å
113	K	96.4	Very high	98	Very high	104 Å²	104	38.7 Å²	38.7	45%	0.452	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	123.1	178.4	-75.5	-174.7	178.8	-176.1	0	112.2	F115 E116 Y142 E146	K113-F115 VanDerWaalsContact C-N 3.31Å; K113-F115 WeakPolarHBondContact O-CD2 3.34Å; K113-E116 VanDerWaalsContact CA-OE1 3.31Å; K113-E116 WeakPolarHBondContact CA-OE1 3.23Å; K113-Y142 HydrophobicContact CD-CD2 3.93Å; K113-Y142 HydrophobicContact CD-CE2 3.78Å; K113-Y142 HydrophobicContact CG-CE2 3.87Å; K113-E146 WeakPolarHBondContact CE-OE2 3.4Å; K113-E146 VanDerWaalsContact NZ-CD 3.3Å; K113-E146 IonicContact NZ-OE1 3.2Å; K113-E146 PolarHBondContact NZ-OE1 2.92Å; K113-E146 IonicContact NZ-OE2 2.58Å; K113-E146 PolarHBondContact NZ-OE2 3.31Å
114	G	96.9	Very high	98	Very high	64 Å²	64	41.7 Å²	41.7	66%	0.66	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	-0.2	-177.2	0	0	0	0	0	114.5	T112 E116	T112-G114 PolarHBondContact O-N 3.19Å; G114-E116 VanDerWaalsContact CA-OE2 3.31Å; G114-E116 WeakPolarHBondContact CA-OE2 3.27Å; G114-E116 PolarHBondContact N-OE1 2.77Å; G114-E116 PolarHBondContact N-OE2 3.42Å
115	F	98.3	Very high	98	Very high	58 Å²	58	41.2 Å²	41.2	25%	0.254	21%	0.212	S	C	.	.			trans	-132.7	13.3	-178.8	-58.3	-84.2	0	0	0	112.2	P111 T112 K113 E117 D118 V119 Y255 Y256	P111-F115 HydrophobicContact CG-CD2 4.08Å; P111-F115 HydrophobicContact CG-CE2 4.01Å; T112-F115 CarbonylContact O-C 3.58Å; T112-F115 WeakPolarHBondContact O-CA 3.49Å; T112-F115 PolarHBondContact O-N 3.25Å; K113-F115 VanDerWaalsContact C-N 3.31Å; K113-F115 WeakPolarHBondContact O-CD2 3.34Å; F115-E117 VanDerWaalsContact C-N 3.28Å; F115-E117 PolarHBondContact O-N 3.07Å; F115-D118 PolarHBondContact O-N 3.48Å; F115-V119 HydrophobicContact CB-CG2 3.73Å; F115-V119 WeakPolarHBondContact O-CG2 3.28Å; F115-V119 PolarHBondContact O-N 2.86Å; F115-Y255 HydrophobicContact CB-CD2 4.28Å; F115-Y255 HydrophobicContact CB-CE2 4.13Å; F115-Y255 AromaticContact CD1-CD2 3.83Å; F115-Y255 HydrophobicContact CD1-CD2 3.83Å; F115-Y255 HydrophobicContact CD1-CE2 4.41Å; F115-Y255 HydrophobicContact CD2-CD2 4.36Å; F115-Y255 HydrophobicContact CD2-CE2 4.21Å; F115-Y255 HydrophobicContact CE1-CD2 4.27Å; F115-Y255 WeakPolarHBondContact CE1-O 3.47Å; F115-Y255 AromaticContact CG-CD2 3.89Å; F115-Y255 HydrophobicContact CG-CD2 3.89Å; F115-Y255 AromaticContact CG-CE2 3.99Å; F115-Y255 HydrophobicContact CG-CE2 3.99Å; F115-Y256 VanDerWaalsContact CZ-CA 3.48Å
116	E	98.5	Very high	98	Very high	79 Å²	79	41.4 Å²	41.4	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-35.8	-171.1	-63.8	88.8	157.4	0	0	112.6	G95 T112 K113 G114 D118 G120	G95-E116 WeakPolarHBondContact CA-O 3.48Å; T112-E116 VanDerWaalsContact O-CD 3.28Å; T112-E116 PolarHBondContact O-N 2.92Å; K113-E116 VanDerWaalsContact CA-OE1 3.31Å; K113-E116 WeakPolarHBondContact CA-OE1 3.23Å; G114-E116 VanDerWaalsContact CA-OE2 3.31Å; G114-E116 WeakPolarHBondContact CA-OE2 3.27Å; G114-E116 PolarHBondContact N-OE1 2.77Å; G114-E116 PolarHBondContact N-OE2 3.42Å; E116-D118 VanDerWaalsContact C-N 3.26Å; E116-D118 PolarHBondContact O-N 2.69Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.48Å; E116-G120 PolarHBondContact O-N 2.69Å
117	E	98.5	Very high	98	Very high	119 Å²	119	41.5 Å²	41.5	56%	0.556	21%	0.213	S	C	*	.	H	α-helix	trans	-59.3	-40.8	177.3	-168.7	-178.5	-171.2	0	0	111	K93 V94 G95 F115	K93-E117 CarbonylContact C-O 3.46Å; K93-E117 WeakPolarHBondContact CA-O 3.32Å; K93-E117 HydrophobicContact CB-CG 4.18Å; K93-E117 VanDerWaalsContact CD-OE1 3.27Å; K93-E117 WeakPolarHBondContact CD-OE1 3.43Å; K93-E117 VanDerWaalsContact CE-OE1 3.29Å; K93-E117 WeakPolarHBondContact CE-OE1 3.4Å; K93-E117 HydrophobicContact CG-CG 3.99Å; K93-E117 IonicContact NZ-OE1 3.89Å; K93-E117 PolarHBondContact NZ-OE1 3.18Å; K93-E117 IonicContact NZ-OE2 3.72Å; V94-E117 PolarHBondContact N-O 3.42Å; G95-E117 WeakPolarHBondContact CA-O 3.41Å; G95-E117 PolarHBondContact N-O 3.06Å; F115-E117 VanDerWaalsContact C-N 3.28Å; F115-E117 PolarHBondContact O-N 3.07Å
118	D	98.7	Very high	98	Very high	20 Å²	20	41 Å²	41	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-86.8	-42.7	-175.8	-76.9	-28.6	0	0	0	113	M89 G91 Q92 K93 V94 F115 E116	M89-D118 WeakPolarHBondContact CE-O 3.48Å; M89-D118 WeakPolarHBondContact O-CB 3.49Å; M89-D118 VanDerWaalsContact O-CG 3.3Å; G91-D118 VanDerWaalsContact C-OD1 3.25Å; G91-D118 VanDerWaalsContact CA-OD1 3.23Å; G91-D118 WeakPolarHBondContact CA-OD1 3.39Å; G91-D118 PolarHBondContact N-OD1 3.19Å; G91-D118 VanDerWaalsContact N-OD1 3.13Å; G91-D118 PolarHBondContact N-OD2 3Å; Q92-D118 PolarHBondContact N-OD1 3.4Å; K93-D118 PolarHBondContact N-OD1 2.92Å; V94-D118 WeakPolarHBondContact CG2-O 3.28Å; F115-D118 PolarHBondContact O-N 3.48Å; E116-D118 VanDerWaalsContact C-N 3.26Å; E116-D118 PolarHBondContact O-N 2.69Å
119	V	98.7	Very high	98	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-116.8	-3.3	-167.4	-56.6	0	0	0	0	114.3	V83 M89 R106 F115 Y255	V83-V119 HydrophobicContact CG1-CB 4.23Å; V83-V119 HydrophobicContact CG1-CG1 4.35Å; M89-V119 HydrophobicContact CB-CG1 3.8Å; M89-V119 HydrophobicContact CE-CG1 4.01Å; M89-V119 HydrophobicContact CG-CG1 4.16Å; R106-V119 PolarHBondContact NH1-O 3.28Å; R106-V119 PolarHBondContact NH2-O 3.21Å; F115-V119 HydrophobicContact CB-CG2 3.73Å; F115-V119 WeakPolarHBondContact O-CG2 3.28Å; F115-V119 PolarHBondContact O-N 2.86Å; V119-Y255 HydrophobicContact CG1-CD1 4.25Å; V119-Y255 HydrophobicContact CG1-CD2 4.27Å; V119-Y255 HydrophobicContact CG1-CE1 4.07Å; V119-Y255 HydrophobicContact CG1-CE2 4.1Å; V119-Y255 HydrophobicContact CG1-CG 4.35Å; V119-Y255 HydrophobicContact CG2-CE2 4.2Å
120	G	98.4	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.			trans	77.3	170.6	-175.7	0	0	0	0	0	112.7	G95 D99 R106 T112 E116	G95-G120 VanDerWaalsContact CA-CA 3.49Å; D99-G120 VanDerWaalsContact OD2-CA 3.22Å; D99-G120 WeakPolarHBondContact OD2-CA 3.3Å; R106-G120 PolarHBondContact NH2-O 2.7Å; T112-G120 WeakPolarHBondContact CB-O 3.31Å; T112-G120 VanDerWaalsContact CG2-O 3.31Å; T112-G120 WeakPolarHBondContact CG2-O 3.29Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.48Å; E116-G120 PolarHBondContact O-N 2.69Å
121	Y	97.3	Very high	98	Very high	138 Å²	138	43.8 Å²	43.8	54%	0.541	23%	0.229	S	C	.	.	S	Bend	trans	-106.4	-21.6	-177.8	68.4	-85.2	0	0	0	113.6	D99	D99-Y121 HydrophobicContact CB-CE1 4.32Å; D99-Y121 PolarHBondContact OD1-N 2.86Å; D99-Y121 WeakPolarHBondContact OD2-CD1 3.34Å; D99-Y121 WeakPolarHBondContact OD2-CE1 3.45Å; D99-Y121 PolarHBondContact OD2-N 3.3Å
122	M	96.4	Very high	98	Very high	87 Å²	87	43 Å²	43	43%	0.429	22%	0.224	S	C	.	.			trans	-79.7	147.1	-176.1	-66	-70.1	-158.3	0	0	112.2	D99 I104 R106	D99-M122 HydrophobicContact CB-CG 4.35Å; D99-M122 VanDerWaalsContact OD1-CB 3.3Å; D99-M122 WeakPolarHBondContact OD1-CB 3.29Å; D99-M122 PolarHBondContact OD1-N 3.24Å; I104-M122 HydrophobicContact CD1-CB 3.98Å; I104-M122 HydrophobicContact CG1-CB 4.35Å; I104-M122 WeakPolarHBondContact CG2-O 3.27Å; R106-M122 PolarHBondContact NE-O 2.84Å; R106-M122 VanDerWaalsContact NE-O 3.07Å; R106-M122 PolarHBondContact NH2-O 3.31Å
123	T	98.3	Very high	98	Very high	21 Å²	21	42.7 Å²	42.7	13%	0.129	22%	0.222	C	C	.	.			trans	-144.9	118.5	169.1	-52.6	0	0	0	0	109.4	R106 R126 T150	R106-T123 HydrophobicContact CB-CG2 4.11Å; R106-T123 WeakPolarHBondContact CD-OG1 3.18Å; R106-T123 HydrophobicContact CG-CG2 4.03Å; R106-T123 PolarHBondContact NE-OG1 3Å; T123-R126 HydrophobicContact CG2-CB 4.26Å; T123-T150 HydrophobicContact CG2-CG2 3.83Å; T123-T150 PolarHBondContact O-OG1 2.95Å
124	M	98	Very high	98.1	Very high	68 Å²	68	40.4 Å²	40.4	34%	0.335	22%	0.218	S	C	.	.	S	Bend	trans	-97.5	-46.7	175.5	-175.7	166.5	169.2	0	0	111.5	L75 C103 I104 I151	L75-M124 HydrophobicContact CD1-CE 3.88Å; C103-M124 HydrophobicContact CB-SD 4.08Å; C103-M124 PolarHBondContact SG-SD 2.9Å; I104-M124 PolarHBondContact O-N 3.34Å; M124-I151 PolarHBondContact O-N 3.03Å
125	V	98.7	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.7	178.3	-173.2	0	0	0	0	109.8	L75 I104 W105 R106 V127 I151 V153	L75-V125 HydrophobicContact CD1-CG2 4.18Å; L75-V125 HydrophobicContact CD2-CG2 3.96Å; I104-V125 PolarHBondContact O-N 3.46Å; W105-V125 CarbonylContact C-O 3.59Å; W105-V125 VanDerWaalsContact CA-O 3.28Å; W105-V125 WeakPolarHBondContact CA-O 3.36Å; W105-V125 HydrophobicContact CD2-CB 3.72Å; W105-V125 HydrophobicContact CD2-CG1 4.14Å; W105-V125 HydrophobicContact CD2-CG2 4.19Å; W105-V125 HydrophobicContact CE3-CB 3.64Å; W105-V125 HydrophobicContact CE3-CG1 3.51Å; W105-V125 HydrophobicContact CE3-CG2 4.34Å; W105-V125 HydrophobicContact CG-CB 4.28Å; W105-V125 HydrophobicContact CH2-CB 4.26Å; W105-V125 HydrophobicContact CH2-CG1 3.99Å; W105-V125 HydrophobicContact CH2-CG2 4.14Å; W105-V125 HydrophobicContact CZ2-CB 4.36Å; W105-V125 HydrophobicContact CZ2-CG2 4.01Å; W105-V125 HydrophobicContact CZ3-CB 3.93Å; W105-V125 HydrophobicContact CZ3-CG1 3.43Å; W105-V125 VanDerWaalsContact CZ3-CG1 3.43Å; W105-V125 HydrophobicContact CZ3-CG2 4.32Å; R106-V125 PolarHBondContact N-O 3.3Å; V125-V127 HydrophobicContact CG1-CG2 4.4Å; V125-I151 CarbonylContact C-O 3.27Å; V125-I151 WeakPolarHBondContact CA-O 3.21Å; V125-V153 HydrophobicContact CG1-CG2 4.17Å
126	R	98.8	Very high	98.2	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	111.5	175.8	-171.6	172.4	-79	-94.2	2.1	110.1	R106 N108 A110 T123 V128 T150 I151 Y152 V153	R106-R126 VanDerWaalsContact O-CA 3.29Å; R106-R126 WeakPolarHBondContact O-CA 3.45Å; N108-R126 WeakPolarHBondContact O-CD 3.39Å; N108-R126 PolarHBondContact O-NH1 2.83Å; A110-R126 VanDerWaalsContact O-CZ 3.27Å; A110-R126 PolarHBondContact O-NH1 3.3Å; A110-R126 PolarHBondContact O-NH2 3.13Å; T123-R126 HydrophobicContact CG2-CB 4.26Å; R126-V128 HydrophobicContact CG-CG2 3.81Å; R126-T150 HydrophobicContact CB-CG2 3.79Å; R126-I151 PolarHBondContact N-O 2.03Å; R126-Y152 HydrophobicContact CB-CD1 4.16Å; R126-Y152 HydrophobicContact CB-CE1 4.24Å; R126-Y152 HydrophobicContact CG-CD1 4.37Å; R126-Y152 HydrophobicContact CG-CE1 4.31Å; R126-Y152 CarbonylContact O-C 3.21Å; R126-Y152 WeakPolarHBondContact O-CA 3.49Å; R126-V153 PolarHBondContact O-N 3.37Å
127	V	98.9	Very high	98.1	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.1	177.7	-173.1	0	0	0	0	108.5	W105 R106 M107 N108 V125 V153 T217 F220 T221	W105-V127 HydrophobicContact CE3-CG2 4.14Å; W105-V127 HydrophobicContact CZ3-CG2 4.25Å; R106-V127 PolarHBondContact O-N 3.49Å; M107-V127 CarbonylContact C-O 3.16Å; M107-V127 VanDerWaalsContact CA-O 3.28Å; M107-V127 WeakPolarHBondContact CA-O 3.19Å; N108-V127 PolarHBondContact N-O 3.04Å; V125-V127 HydrophobicContact CG1-CG2 4.4Å; V127-V153 CarbonylContact C-O 3.6Å; V127-V153 WeakPolarHBondContact CA-O 3.3Å; V127-T217 HydrophobicContact CB-CG2 4.2Å; V127-T217 HydrophobicContact CG1-CG2 3.97Å; V127-T217 WeakPolarHBondContact O-CG2 3.28Å; V127-F220 HydrophobicContact CG1-CB 4.33Å; V127-T221 WeakPolarHBondContact CB-OG1 3.35Å; V127-T221 HydrophobicContact CG2-CG2 4.04Å
128	V	98.8	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.3	-167.7	-174.7	0	0	0	0	109.9	N108 R126 V133 L136 Y152 V153 I154 W155	N108-V128 WeakPolarHBondContact OD1-CA 2.98Å; R126-V128 HydrophobicContact CG-CG2 3.81Å; V128-V133 HydrophobicContact CG1-CG2 4.17Å; V128-L136 HydrophobicContact CG1-CD1 4.02Å; V128-L136 HydrophobicContact CG1-CD2 4.21Å; V128-L136 HydrophobicContact CG2-CD2 4.03Å; V128-Y152 HydrophobicContact CG2-CD1 4.22Å; V128-V153 PolarHBondContact N-O 2.93Å; V128-I154 HydrophobicContact CB-CD1 3.61Å; V128-I154 HydrophobicContact CG1-CD1 4.14Å; V128-I154 HydrophobicContact CG2-CD1 4Å; V128-I154 VanDerWaalsContact O-CA 3.31Å; V128-I154 WeakPolarHBondContact O-CA 3Å; V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 3.26Å
129	S	98.3	Very high	98	Very high	8 Å²	8	42.1 Å²	42.1	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	143.7	167.9	-169	0	0	0	0	110.4	N108 T131 S132 V133 W155	N108-S129 PolarHBondContact OD1-N 3.22Å; S129-T131 PolarHBondContact O-N 2.85Å; S129-T131 PolarHBondContact OG-OG1 3.23Å; S129-S132 WeakPolarHBondContact O-CA 3.28Å; S129-S132 WeakPolarHBondContact O-CB 3.5Å; S129-S132 PolarHBondContact O-N 2.77Å; S129-V133 PolarHBondContact O-N 3.1Å; S129-W155 CarbonylContact C-O 3.08Å; S129-W155 WeakPolarHBondContact OG-CZ2 3.48Å
130	H	97.8	Very high	97.9	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.093	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.6	174.1	76.2	-69.1	0	0	0	113.4	S132 V133 W155 P157 N160 M161 V169	H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 3.42Å; H130-V133 PolarHBondContact O-N 2.84Å; H130-W155 WeakPolarHBondContact CB-O 3.44Å; H130-W155 PolarHBondContact N-O 3.12Å; H130-P157 WeakPolarHBondContact CE1-CD 3.21Å; H130-P157 VanDerWaalsContact ND1-CD 3.33Å; H130-P157 WeakPolarHBondContact ND1-CD 3.23Å; H130-P157 WeakPolarHBondContact NE2-CD 3.38Å; H130-N160 PolarHBondContact CD2-ND2 2.96Å; H130-N160 PolarHBondContact NE2-ND2 3.28Å; H130-M161 HydrophobicContact CB-SD 4.1Å; H130-V169 HydrophobicContact CB-CB 4.36Å; H130-V169 HydrophobicContact CB-CG1 4.01Å; H130-V169 HydrophobicContact CB-CG2 4.12Å
131	T	96.8	Very high	97.8	Very high	89 Å²	89	47.2 Å²	47.2	55%	0.546	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.8	175.7	56.5	0	0	0	0	113.3	S129 P134	S129-T131 PolarHBondContact O-N 2.85Å; S129-T131 PolarHBondContact OG-OG1 3.23Å; T131-P134 WeakPolarHBondContact O-CD 3.32Å
132	S	97.9	Very high	97.7	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.084	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.3	177.3	-64.8	0	0	0	0	113	N108 S129 H130 L135 L136	N108-S132 WeakPolarHBondContact CB-OG 3.45Å; N108-S132 PolarHBondContact OD1-OG 3.41Å; S129-S132 WeakPolarHBondContact O-CA 3.28Å; S129-S132 WeakPolarHBondContact O-CB 3.5Å; S129-S132 PolarHBondContact O-N 2.77Å; H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 3.42Å; S132-L135 WeakPolarHBondContact O-CA 3.48Å; S132-L135 VanDerWaalsContact O-CB 3.32Å; S132-L135 WeakPolarHBondContact O-CB 3.34Å; S132-L135 PolarHBondContact O-N 2.94Å; S132-L136 VanDerWaalsContact O-CD1 3.27Å; S132-L136 WeakPolarHBondContact O-CD1 3.21Å; S132-L136 PolarHBondContact O-N 2.76Å; S132-L136 VanDerWaalsContact O-N 3.16Å
133	V	98.6	Very high	97.8	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-54.7	-47.4	177.4	172	0	0	0	0	112.3	V128 S129 H130 L135 L136 L137 I154 V169 L173	V128-V133 HydrophobicContact CG1-CG2 4.17Å; S129-V133 PolarHBondContact O-N 3.1Å; H130-V133 PolarHBondContact O-N 2.84Å; V133-L135 PolarHBondContact O-N 2.98Å; V133-L135 VanDerWaalsContact O-N 3.16Å; V133-L136 PolarHBondContact O-N 2.92Å; V133-L136 VanDerWaalsContact O-N 3.14Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.03Å; V133-L137 VanDerWaalsContact O-N 3.13Å; V133-I154 HydrophobicContact CG2-CD1 4.28Å; V133-I154 HydrophobicContact CG2-CG2 3.62Å; V133-V169 HydrophobicContact CB-CG1 3.93Å; V133-V169 HydrophobicContact CG1-CG1 4.09Å; V133-V169 HydrophobicContact CG2-CG1 3.77Å; V133-L173 HydrophobicContact CG1-CD2 3.75Å; V133-L173 HydrophobicContact CG1-CG 4.46Å; V133-L173 HydrophobicContact CG2-CD2 4.09Å
134	P	98.3	Very high	97.7	Very high	55 Å²	55	37.4 Å²	37.4	36%	0.357	20%	0.197	S	C	.	.	H	α-helix	trans	-58.3	-28.6	174.9	-25.7	35.7	0	0	0	114.2	T131 L137 K138 M172	T131-P134 WeakPolarHBondContact O-CD 3.32Å; P134-L137 PolarHBondContact O-N 3.15Å; P134-K138 PolarHBondContact O-N 2.95Å; P134-M172 HydrophobicContact CG-SD 4.36Å
135	L	97.8	Very high	97.6	Very high	67 Å²	67	40.8 Å²	40.8	35%	0.351	21%	0.21	S	C	.	.	H	α-helix	trans	-73.6	-38.1	177.9	-56.8	178.5	0	0	0	111.7	N109 S132 V133 L137 K138	N109-L135 HydrophobicContact CB-CB 4.01Å; S132-L135 WeakPolarHBondContact O-CA 3.48Å; S132-L135 VanDerWaalsContact O-CB 3.32Å; S132-L135 WeakPolarHBondContact O-CB 3.34Å; S132-L135 PolarHBondContact O-N 2.94Å; V133-L135 PolarHBondContact O-N 2.98Å; V133-L135 VanDerWaalsContact O-N 3.16Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 3.26Å; L135-K138 HydrophobicContact CD2-CD 4.39Å; L135-K138 WeakPolarHBondContact O-CB 3.45Å; L135-K138 PolarHBondContact O-N 3.41Å
136	L	98.1	Very high	97.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-40.9	172	-84.2	66.4	0	0	0	110.4	N109 V128 S132 V133 K138 N139 F143 F144 Y152	N109-L136 HydrophobicContact CB-CD1 3.81Å; V128-L136 HydrophobicContact CG1-CD1 4.02Å; V128-L136 HydrophobicContact CG1-CD2 4.21Å; V128-L136 HydrophobicContact CG2-CD2 4.03Å; S132-L136 VanDerWaalsContact O-CD1 3.27Å; S132-L136 WeakPolarHBondContact O-CD1 3.21Å; S132-L136 PolarHBondContact O-N 2.76Å; S132-L136 VanDerWaalsContact O-N 3.16Å; V133-L136 PolarHBondContact O-N 2.92Å; V133-L136 VanDerWaalsContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 3.46Å; L136-N139 CarbonylContact O-C 3.57Å; L136-N139 VanDerWaalsContact O-C 3.27Å; L136-N139 PolarHBondContact O-N 2.83Å; L136-F143 HydrophobicContact CB-CD2 3.93Å; L136-F143 HydrophobicContact CB-CE2 4.27Å; L136-F143 HydrophobicContact CB-CG 4.24Å; L136-F143 HydrophobicContact CD2-CD1 4.37Å; L136-F143 HydrophobicContact CD2-CG 4.4Å; L136-F143 HydrophobicContact CG-CD1 4.03Å; L136-F143 HydrophobicContact CG-CD2 3.91Å; L136-F143 HydrophobicContact CG-CE1 4.14Å; L136-F143 HydrophobicContact CG-CE2 4.04Å; L136-F143 HydrophobicContact CG-CG 3.92Å; L136-F143 HydrophobicContact CG-CZ 4.16Å; L136-F143 WeakPolarHBondContact O-CD2 3.49Å; L136-F144 HydrophobicContact CB-CE2 4.3Å; L136-F144 HydrophobicContact CB-CZ 4.12Å; L136-F144 HydrophobicContact CD2-CZ 4.02Å; L136-Y152 HydrophobicContact CD2-CD1 3.77Å; L136-Y152 HydrophobicContact CD2-CE1 3.63Å
137	L	97.9	Very high	97.1	Very high	55 Å²	55	47 Å²	47	29%	0.288	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.6	-179.7	-61.6	175.7	0	0	0	114.5	V133 P134 L135 N139 P140 F144 M172 T176	V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.03Å; V133-L137 VanDerWaalsContact O-N 3.13Å; P134-L137 PolarHBondContact O-N 3.15Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 3.26Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-P140 WeakPolarHBondContact O-CD 3.4Å; L137-F144 HydrophobicContact CD2-CE2 3.89Å; L137-M172 HydrophobicContact CD1-CB 3.98Å; L137-M172 HydrophobicContact CD1-CG 4.38Å; L137-M172 HydrophobicContact CD1-SD 4.37Å; L137-T176 HydrophobicContact CD2-CG2 4.14Å; L137-T176 VanDerWaalsContact CD2-OG1 3.31Å; L137-T176 WeakPolarHBondContact CD2-OG1 3.34Å
138	K	97.5	Very high	96.8	Very high	169 Å²	169	48.7 Å²	48.7	74%	0.735	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.2	168.2	-70.6	-178.5	175.8	-178.7	0	112.5	P134 L135 L136	P134-K138 PolarHBondContact O-N 2.95Å; L135-K138 HydrophobicContact CD2-CD 4.39Å; L135-K138 WeakPolarHBondContact O-CB 3.45Å; L135-K138 PolarHBondContact O-N 3.41Å; L136-K138 PolarHBondContact O-N 3.46Å
139	N	96.4	Very high	96.6	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.444	29%	0.286	S	S	.	.	S	Bend	trans	-137.7	66.6	176.4	-168.7	-4.8	0	0	0	110.5	L136 L137 D141 Y142 F143	L136-N139 CarbonylContact O-C 3.57Å; L136-N139 VanDerWaalsContact O-C 3.27Å; L136-N139 PolarHBondContact O-N 2.83Å; L137-N139 VanDerWaalsContact C-N 3.29Å; N139-D141 VanDerWaalsContact C-N 3.3Å; N139-D141 PolarHBondContact O-N 3.31Å; N139-Y142 PolarHBondContact O-N 3.36Å; N139-Y142 WeakPolarHBondContact OD1-CB 3.16Å; N139-Y142 PolarHBondContact OD1-N 2.94Å; N139-F143 VanDerWaalsContact O-CD2 3.29Å; N139-F143 WeakPolarHBondContact O-CD2 3.07Å; N139-F143 PolarHBondContact O-N 3.33Å
140	P	96.5	Very high	96.6	Very high	35 Å²	35	53.7 Å²	53.7	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-70.5	-27.2	-170.3	31.1	-35.8	0	0	0	112.4	L137 F143 F144 Y180	L137-P140 WeakPolarHBondContact O-CD 3.4Å; P140-F143 PolarHBondContact O-N 3.34Å; P140-F144 HydrophobicContact CB-CD2 3.97Å; P140-F144 HydrophobicContact CB-CE2 4.48Å; P140-F144 WeakPolarHBondContact O-CA 3.36Å; P140-F144 WeakPolarHBondContact O-CB 3.33Å; P140-F144 WeakPolarHBondContact O-CD2 3.39Å; P140-F144 PolarHBondContact O-N 2.83Å; P140-Y180 HydrophobicContact CB-CE2 3.93Å; P140-Y180 WeakPolarHBondContact CB-OH 3.14Å; P140-Y180 WeakPolarHBondContact CG-OH 2.98Å
141	D	96.2	Very high	96.6	Very high	73 Å²	73	53.4 Å²	53.4	39%	0.39	28%	0.284	S	S	.	.	I	π-helix	trans	-63.8	-44.8	175.2	-79	-39.9	0	0	0	111.3	N139 F143 K145 E146	N139-D141 VanDerWaalsContact C-N 3.3Å; N139-D141 PolarHBondContact O-N 3.31Å; D141-F143 PolarHBondContact O-N 3.2Å; D141-K145 CarbonylContact O-C 3.57Å; D141-K145 WeakPolarHBondContact O-CA 3.35Å; D141-K145 VanDerWaalsContact O-CB 3.25Å; D141-K145 WeakPolarHBondContact O-CB 3.4Å; D141-K145 PolarHBondContact O-N 2.85Å; D141-K145 WeakPolarHBondContact OD1-CD 3.43Å; D141-E146 PolarHBondContact O-N 2.88Å
142	Y	96.3	Very high	96.7	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.082	26%	0.258	C	S	.	.	I	π-helix	trans	-59.8	-47.7	176.2	170.6	-110	0	0	0	112.1	T112 K113 N139 A147	T112-Y142 PolarHBondContact N-OH 2.7Å; T112-Y142 PolarHBondContact OG1-OH 2.8Å; T112-Y142 VanDerWaalsContact OG1-OH 3.13Å; K113-Y142 HydrophobicContact CD-CD2 3.93Å; K113-Y142 HydrophobicContact CD-CE2 3.78Å; K113-Y142 HydrophobicContact CG-CE2 3.87Å; N139-Y142 PolarHBondContact O-N 3.36Å; N139-Y142 WeakPolarHBondContact OD1-CB 3.16Å; N139-Y142 PolarHBondContact OD1-N 2.94Å; Y142-A147 WeakPolarHBondContact O-CB 3.28Å; Y142-A147 PolarHBondContact O-N 3.27Å; Y142-A147 VanDerWaalsContact O-N 3.13Å
143	F	97.4	Very high	96.7	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.039	25%	0.254	C	S	.	.	I	π-helix	trans	-78.7	-39.6	-175.5	-70.6	-71	0	0	0	113.5	N109 L136 N139 P140 D141 A147 Y152	N109-F143 HydrophobicContact CB-CZ 4.21Å; L136-F143 HydrophobicContact CB-CD2 3.93Å; L136-F143 HydrophobicContact CB-CE2 4.27Å; L136-F143 HydrophobicContact CB-CG 4.24Å; L136-F143 HydrophobicContact CD2-CD1 4.37Å; L136-F143 HydrophobicContact CD2-CG 4.4Å; L136-F143 HydrophobicContact CG-CD1 4.03Å; L136-F143 HydrophobicContact CG-CD2 3.91Å; L136-F143 HydrophobicContact CG-CE1 4.14Å; L136-F143 HydrophobicContact CG-CE2 4.04Å; L136-F143 HydrophobicContact CG-CG 3.92Å; L136-F143 HydrophobicContact CG-CZ 4.16Å; L136-F143 WeakPolarHBondContact O-CD2 3.49Å; N139-F143 VanDerWaalsContact O-CD2 3.29Å; N139-F143 WeakPolarHBondContact O-CD2 3.07Å; N139-F143 PolarHBondContact O-N 3.33Å; P140-F143 PolarHBondContact O-N 3.34Å; D141-F143 PolarHBondContact O-N 3.2Å; F143-A147 CarbonylContact O-C 3.53Å; F143-A147 WeakPolarHBondContact O-CB 3.48Å; F143-Y152 VanDerWaalsContact C-OH 3.26Å; F143-Y152 WeakPolarHBondContact CA-OH 3.11Å; F143-Y152 HydrophobicContact CB-CE1 4.34Å; F143-Y152 WeakPolarHBondContact CB-OH 3.41Å; F143-Y152 HydrophobicContact CD1-CE1 4.22Å; F143-Y152 WeakPolarHBondContact O-CE2 3.45Å; F143-Y152 VanDerWaalsContact O-CZ 3.27Å; F143-Y152 PolarHBondContact O-OH 3.4Å
144	F	97.1	Very high	96.8	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.039	25%	0.254	C	S	.	.	I	π-helix	trans	-113.3	-9.6	-167.5	-53.4	-61.7	0	0	0	114.4	L136 L137 P140 Y152 T176 Y180 A183 I185	L136-F144 HydrophobicContact CB-CE2 4.3Å; L136-F144 HydrophobicContact CB-CZ 4.12Å; L136-F144 HydrophobicContact CD2-CZ 4.02Å; L137-F144 HydrophobicContact CD2-CE2 3.89Å; P140-F144 HydrophobicContact CB-CD2 3.97Å; P140-F144 HydrophobicContact CB-CE2 4.48Å; P140-F144 WeakPolarHBondContact O-CA 3.36Å; P140-F144 WeakPolarHBondContact O-CB 3.33Å; P140-F144 WeakPolarHBondContact O-CD2 3.39Å; P140-F144 PolarHBondContact O-N 2.83Å; F144-Y152 HydrophobicContact CD1-CD2 4.24Å; F144-Y152 AromaticContact CD1-CE2 3.9Å; F144-Y152 HydrophobicContact CD1-CE2 3.9Å; F144-Y152 HydrophobicContact CE1-CD1 4.06Å; F144-Y152 HydrophobicContact CE1-CD2 4.02Å; F144-Y152 AromaticContact CE1-CE1 3.95Å; F144-Y152 HydrophobicContact CE1-CE1 3.95Å; F144-Y152 AromaticContact CE1-CE2 3.94Å; F144-Y152 HydrophobicContact CE1-CE2 3.94Å; F144-Y152 HydrophobicContact CE1-CG 4.11Å; F144-Y152 AromaticContact CE1-CZ 3.94Å; F144-T176 HydrophobicContact CD1-CG2 4.36Å; F144-T176 HydrophobicContact CD2-CG2 3.78Å; F144-T176 HydrophobicContact CE1-CG2 4.36Å; F144-T176 HydrophobicContact CE2-CG2 3.79Å; F144-T176 HydrophobicContact CG-CG2 4.08Å; F144-T176 HydrophobicContact CZ-CG2 4.07Å; F144-Y180 HydrophobicContact CB-CD1 3.73Å; F144-Y180 HydrophobicContact CB-CD2 3.95Å; F144-Y180 HydrophobicContact CB-CE1 4.26Å; F144-Y180 HydrophobicContact CB-CE2 4.47Å; F144-Y180 HydrophobicContact CB-CG 3.57Å; F144-Y180 HydrophobicContact CD2-CD2 4.5Å; F144-A183 HydrophobicContact CB-CB 4.26Å; F144-A183 HydrophobicContact CD1-CB 4.11Å; F144-I185 HydrophobicContact CD1-CD1 4.21Å; F144-I185 HydrophobicContact CE1-CD1 3.83Å; F144-I185 HydrophobicContact CE1-CG1 4.4Å; F144-I185 HydrophobicContact CZ-CD1 4.43Å
145	K	94.6	Very high	96.8	Very high	139 Å²	139	46.4 Å²	46.4	60%	0.604	24%	0.239	S	C	*	.	I	π-helix	trans	-111.9	-54.2	175.8	-175.2	-178.4	-178.9	179.3	0	112.1	D141 S148 Y180	D141-K145 CarbonylContact O-C 3.57Å; D141-K145 WeakPolarHBondContact O-CA 3.35Å; D141-K145 VanDerWaalsContact O-CB 3.25Å; D141-K145 WeakPolarHBondContact O-CB 3.4Å; D141-K145 PolarHBondContact O-N 2.85Å; D141-K145 WeakPolarHBondContact OD1-CD 3.43Å; K145-S148 WeakPolarHBondContact O-CB 3.31Å; K145-Y180 HydrophobicContact CB-CD1 4.33Å; K145-Y180 HydrophobicContact CB-CE1 4.15Å
146	E	95	Very high	96.7	Very high	111 Å²	111	43.5 Å²	43.5	52%	0.519	22%	0.224	S	C	.	.	I	π-helix	trans	-71	-45.4	177.3	-60.8	-179.8	-162.1	0	0	111.1	K113 D141 S148	K113-E146 WeakPolarHBondContact CE-OE2 3.4Å; K113-E146 VanDerWaalsContact NZ-CD 3.3Å; K113-E146 IonicContact NZ-OE1 3.2Å; K113-E146 PolarHBondContact NZ-OE1 2.92Å; K113-E146 IonicContact NZ-OE2 2.58Å; K113-E146 PolarHBondContact NZ-OE2 3.31Å; D141-E146 PolarHBondContact O-N 2.88Å; E146-S148 VanDerWaalsContact C-N 3.29Å; E146-S148 PolarHBondContact O-N 3.18Å
147	A	94.1	Very high	96.5	Very high	22 Å²	22	45.1 Å²	45.1	18%	0.182	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	41.9	174.3	0	0	0	0	0	112.6	Y142 F143 T149 T150	Y142-A147 WeakPolarHBondContact O-CB 3.28Å; Y142-A147 PolarHBondContact O-N 3.27Å; Y142-A147 VanDerWaalsContact O-N 3.13Å; F143-A147 CarbonylContact O-C 3.53Å; F143-A147 WeakPolarHBondContact O-CB 3.48Å; A147-T149 PolarHBondContact O-N 3.03Å; A147-T150 WeakPolarHBondContact O-CB 3.42Å; A147-T150 PolarHBondContact O-N 2.8Å
148	S	91.8	Very high	96.3	Very high	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.5	-176.9	57.6	0	0	0	0	114	K145 E146 T150	K145-S148 WeakPolarHBondContact O-CB 3.31Å; E146-S148 VanDerWaalsContact C-N 3.29Å; E146-S148 PolarHBondContact O-N 3.18Å; S148-T150 VanDerWaalsContact C-N 3.32Å
149	T	94	Very high	96.2	Very high	108 Å²	108	49 Å²	49	66%	0.663	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.7	177.4	60.3	0	0	0	0	113.5	A147 Q184	A147-T149 PolarHBondContact O-N 3.03Å; T149-Q184 PolarHBondContact O-NE2 3.46Å
150	T	98	Very high	96.3	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.025	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-73.4	131.8	179	-64.1	0	0	0	0	110.7	T123 R126 A147 S148 Y152	T123-T150 HydrophobicContact CG2-CG2 3.83Å; T123-T150 PolarHBondContact O-OG1 2.95Å; R126-T150 HydrophobicContact CB-CG2 3.79Å; A147-T150 WeakPolarHBondContact O-CB 3.42Å; A147-T150 PolarHBondContact O-N 2.8Å; S148-T150 VanDerWaalsContact C-N 3.32Å; T150-Y152 HydrophobicContact CG2-CD2 4.2Å; T150-Y152 HydrophobicContact CG2-CE1 4.39Å; T150-Y152 HydrophobicContact CG2-CE2 3.75Å; T150-Y152 VanDerWaalsContact O-CD2 3.27Å; T150-Y152 WeakPolarHBondContact O-CD2 3.33Å; T150-Y152 WeakPolarHBondContact O-CE2 3.38Å
151	I	98.6	Very high	96.3	Very high	14 Å²	14	45.5 Å²	45.5	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.4	171.9	-62.2	168.7	0	0	0	108.6	L73 L75 M124 V125 R126 V153 Q184 Y186	L73-I151 HydrophobicContact CD1-CD1 4.46Å; L73-I151 HydrophobicContact CD1-CG2 3.83Å; L75-I151 HydrophobicContact CD1-CD1 4.38Å; M124-I151 PolarHBondContact O-N 3.03Å; V125-I151 CarbonylContact C-O 3.27Å; V125-I151 WeakPolarHBondContact CA-O 3.21Å; R126-I151 PolarHBondContact N-O 2.03Å; I151-V153 HydrophobicContact CG2-CG2 4.2Å; I151-Q184 HydrophobicContact CG1-CB 4.3Å; I151-Y186 HydrophobicContact CG2-CD2 3.75Å; I151-Y186 HydrophobicContact CG2-CE2 3.87Å
152	Y	98.8	Very high	96.3	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.8	176.9	-67.6	-94.8	0	0	0	110.1	R126 V128 L136 F143 F144 T150 Q184 Y186	R126-Y152 HydrophobicContact CB-CD1 4.16Å; R126-Y152 HydrophobicContact CB-CE1 4.24Å; R126-Y152 HydrophobicContact CG-CD1 4.37Å; R126-Y152 HydrophobicContact CG-CE1 4.31Å; R126-Y152 CarbonylContact O-C 3.21Å; R126-Y152 WeakPolarHBondContact O-CA 3.49Å; V128-Y152 HydrophobicContact CG2-CD1 4.22Å; L136-Y152 HydrophobicContact CD2-CD1 3.77Å; L136-Y152 HydrophobicContact CD2-CE1 3.63Å; F143-Y152 VanDerWaalsContact C-OH 3.26Å; F143-Y152 WeakPolarHBondContact CA-OH 3.11Å; F143-Y152 HydrophobicContact CB-CE1 4.34Å; F143-Y152 WeakPolarHBondContact CB-OH 3.41Å; F143-Y152 HydrophobicContact CD1-CE1 4.22Å; F143-Y152 WeakPolarHBondContact O-CE2 3.45Å; F143-Y152 VanDerWaalsContact O-CZ 3.27Å; F143-Y152 PolarHBondContact O-OH 3.4Å; F144-Y152 HydrophobicContact CD1-CD2 4.24Å; F144-Y152 AromaticContact CD1-CE2 3.9Å; F144-Y152 HydrophobicContact CD1-CE2 3.9Å; F144-Y152 HydrophobicContact CE1-CD1 4.06Å; F144-Y152 HydrophobicContact CE1-CD2 4.02Å; F144-Y152 AromaticContact CE1-CE1 3.95Å; F144-Y152 HydrophobicContact CE1-CE1 3.95Å; F144-Y152 AromaticContact CE1-CE2 3.94Å; F144-Y152 HydrophobicContact CE1-CE2 3.94Å; F144-Y152 HydrophobicContact CE1-CG 4.11Å; F144-Y152 AromaticContact CE1-CZ 3.94Å; T150-Y152 HydrophobicContact CG2-CD2 4.2Å; T150-Y152 HydrophobicContact CG2-CE1 4.39Å; T150-Y152 HydrophobicContact CG2-CE2 3.75Å; T150-Y152 VanDerWaalsContact O-CD2 3.27Å; T150-Y152 WeakPolarHBondContact O-CD2 3.33Å; T150-Y152 WeakPolarHBondContact O-CE2 3.38Å; Y152-Q184 PolarHBondContact N-O 3.43Å; Y152-Y186 PolarHBondContact O-N 2.77Å
153	V	98.8	Very high	96.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.9	175.9	-176	0	0	0	0	109.1	Y64 L73 V125 R126 V127 V128 I151 L224	Y64-V153 HydrophobicContact CD1-CG1 3.46Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.46Å; Y64-V153 HydrophobicContact CE1-CG1 3.92Å; Y64-V153 HydrophobicContact CG-CG1 4.29Å; L73-V153 HydrophobicContact CD2-CG2 4.27Å; V125-V153 HydrophobicContact CG1-CG2 4.17Å; R126-V153 PolarHBondContact O-N 3.37Å; V127-V153 CarbonylContact C-O 3.6Å; V127-V153 WeakPolarHBondContact CA-O 3.3Å; V128-V153 PolarHBondContact N-O 2.93Å; I151-V153 HydrophobicContact CG2-CG2 4.2Å; V153-L224 HydrophobicContact CB-CD2 4.38Å; V153-L224 HydrophobicContact CG1-CD2 4.07Å; V153-L224 HydrophobicContact CG2-CD2 4.01Å
154	I	98.8	Very high	96.2	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.9	-174.5	-40.8	-58	0	0	0	110.6	V128 V133 M161 L173 I185 Y186 V187 T188	V128-I154 HydrophobicContact CB-CD1 3.61Å; V128-I154 HydrophobicContact CG1-CD1 4.14Å; V128-I154 HydrophobicContact CG2-CD1 4Å; V128-I154 VanDerWaalsContact O-CA 3.31Å; V128-I154 WeakPolarHBondContact O-CA 3Å; V133-I154 HydrophobicContact CG2-CD1 4.28Å; V133-I154 HydrophobicContact CG2-CG2 3.62Å; I154-M161 HydrophobicContact CB-CE 4.43Å; I154-M161 HydrophobicContact CG2-CE 4.12Å; I154-L173 HydrophobicContact CB-CD1 4.02Å; I154-L173 HydrophobicContact CD1-CD2 4.35Å; I154-L173 HydrophobicContact CG1-CD1 3.78Å; I154-L173 HydrophobicContact CG1-CD2 3.94Å; I154-L173 HydrophobicContact CG2-CD1 4.05Å; I154-I185 HydrophobicContact CD1-CG2 4.48Å; I154-I185 HydrophobicContact CG1-CG2 3.9Å; I154-Y186 WeakPolarHBondContact CG1-O 3.47Å; I154-Y186 PolarHBondContact N-O 3.14Å; I154-V187 HydrophobicContact CB-CG1 4.39Å; I154-V187 WeakPolarHBondContact O-CA 3.47Å; I154-T188 PolarHBondContact O-N 2.91Å; I154-T188 PolarHBondContact O-OG1 3.32Å
155	W	98.4	Very high	96.1	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.3	174.8	72.3	-91.4	0	0	0	111.1	V128 S129 H130 M193 L215 T217 F220	V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 3.26Å; S129-W155 CarbonylContact C-O 3.08Å; S129-W155 WeakPolarHBondContact OG-CZ2 3.48Å; H130-W155 WeakPolarHBondContact CB-O 3.44Å; H130-W155 PolarHBondContact N-O 3.12Å; W155-M193 HydrophobicContact CB-SD 4.04Å; W155-M193 HydrophobicContact CE3-CE 4.02Å; W155-L215 VanDerWaalsContact CH2-O 3.26Å; W155-L215 WeakPolarHBondContact CH2-O 2.84Å; W155-T217 PolarHBondContact NE1-OG1 3.26Å; W155-F220 HydrophobicContact CB-CD1 4.33Å; W155-F220 HydrophobicContact CB-CG 4.27Å; W155-F220 AromaticContact CD1-CD2 3.98Å; W155-F220 AromaticContact CD2-CD2 3.35Å; W155-F220 HydrophobicContact CD2-CD2 3.35Å; W155-F220 AromaticContact CD2-CE2 3.39Å; W155-F220 HydrophobicContact CD2-CE2 3.39Å; W155-F220 AromaticContact CD2-CG 3.99Å; W155-F220 HydrophobicContact CD2-CG 3.99Å; W155-F220 HydrophobicContact CD2-CZ 4.05Å; W155-F220 AromaticContact CE2-CD2 3.42Å; W155-F220 VanDerWaalsContact CE2-CD2 3.42Å; W155-F220 AromaticContact CE2-CE2 3.69Å; W155-F220 AromaticContact CE3-CD2 3.74Å; W155-F220 HydrophobicContact CE3-CD2 3.74Å; W155-F220 HydrophobicContact CE3-CE1 4.38Å; W155-F220 AromaticContact CE3-CE2 3.21Å; W155-F220 HydrophobicContact CE3-CE2 3.21Å; W155-F220 AromaticContact CE3-CZ 3.6Å; W155-F220 HydrophobicContact CE3-CZ 3.6Å; W155-F220 HydrophobicContact CG-CB 4.31Å; W155-F220 HydrophobicContact CG-CD1 4.37Å; W155-F220 AromaticContact CG-CD2 3.72Å; W155-F220 HydrophobicContact CG-CD2 3.72Å; W155-F220 HydrophobicContact CG-CE2 4.14Å; W155-F220 AromaticContact CG-CG 3.87Å; W155-F220 HydrophobicContact CG-CG 3.87Å; W155-F220 HydrophobicContact CH2-CD2 4.16Å; W155-F220 AromaticContact CH2-CE2 3.64Å; W155-F220 HydrophobicContact CH2-CE2 3.64Å; W155-F220 AromaticContact CZ2-CD2 3.84Å; W155-F220 HydrophobicContact CZ2-CD2 3.84Å; W155-F220 AromaticContact CZ2-CE2 3.82Å; W155-F220 HydrophobicContact CZ2-CE2 3.82Å; W155-F220 HydrophobicContact CZ3-CD2 4.12Å; W155-F220 AromaticContact CZ3-CE2 3.34Å; W155-F220 HydrophobicContact CZ3-CE2 3.34Å; W155-F220 AromaticContact CZ3-CZ 3.91Å; W155-F220 HydrophobicContact CZ3-CZ 3.91Å; W155-F220 AromaticContact NE1-CD2 3.8Å
156	G	96.2	Very high	96.2	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	27%	0.274	C	S	.	.			trans	-176.8	166.7	179.6	0	0	0	0	0	113.8
157	P	94.3	Very high	96.4	Very high	38 Å²	38	48.3 Å²	48.3	25%	0.247	25%	0.25	C	C	.	.			trans	-66.9	147.1	177	30.3	-34.6	0	0	0	110.5	H130 R159 N160 M161	H130-P157 WeakPolarHBondContact CE1-CD 3.21Å; H130-P157 VanDerWaalsContact ND1-CD 3.33Å; H130-P157 WeakPolarHBondContact ND1-CD 3.23Å; H130-P157 WeakPolarHBondContact NE2-CD 3.38Å; P157-R159 PolarHBondContact O-N 3.02Å; P157-R159 VanDerWaalsContact O-N 3.09Å; P157-N160 HydrophobicContact CG-CB 4.28Å; P157-N160 PolarHBondContact O-N 2.99Å; P157-M161 PolarHBondContact O-N 3.09Å
158	F	94.3	Very high	96.5	Very high	118 Å²	118	52.3 Å²	52.3	52%	0.518	27%	0.267	S	S	.	.	H	α-helix	trans	-45.8	-47.7	-178.3	177.1	-102.7	0	0	0	112.5	N160 M161 R162 E190	F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 3.12Å; F158-N160 VanDerWaalsContact O-N 3.12Å; F158-M161 CarbonylContact O-C 3.53Å; F158-M161 PolarHBondContact O-N 2.9Å; F158-R162 HydrophobicContact CD1-CG 4.14Å; F158-R162 HydrophobicContact CE1-CG 3.81Å; F158-R162 HydrophobicContact CE2-CG 4.49Å; F158-R162 HydrophobicContact CZ-CG 4Å; F158-R162 VanDerWaalsContact O-CG 3.31Å; F158-R162 WeakPolarHBondContact O-CG 3.01Å; F158-R162 PolarHBondContact O-N 2.71Å; F158-E190 WeakPolarHBondContact CD2-OE2 3.22Å
159	R	95.3	Very high	96.9	Very high	187 Å²	187	50.9 Å²	50.9	71%	0.706	26%	0.256	S	S	*	.	H	α-helix	trans	-49.1	-43.2	-179.8	-169.9	-179.1	77.2	175.5	2.1	113.6	P157	P157-R159 PolarHBondContact O-N 3.02Å; P157-R159 VanDerWaalsContact O-N 3.09Å
160	N	97.1	Very high	97.1	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-86.5	-16.9	-176.7	-66.4	-25.5	0	0	0	112.6	H130 P157 F158 G167 I168 V169 Y170	H130-N160 PolarHBondContact CD2-ND2 2.96Å; H130-N160 PolarHBondContact NE2-ND2 3.28Å; P157-N160 HydrophobicContact CG-CB 4.28Å; P157-N160 PolarHBondContact O-N 2.99Å; F158-N160 VanDerWaalsContact C-N 3.26Å; F158-N160 PolarHBondContact O-N 3.12Å; F158-N160 VanDerWaalsContact O-N 3.12Å; N160-G167 CarbonylContact O-C 3.6Å; N160-G167 VanDerWaalsContact O-C 3.27Å; N160-G167 WeakPolarHBondContact O-CA 3.24Å; N160-I168 PolarHBondContact O-N 3.23Å; N160-V169 HydrophobicContact CB-CB 4.43Å; N160-V169 HydrophobicContact CB-CG2 4.13Å; N160-V169 WeakPolarHBondContact O-CB 3.49Å; N160-V169 PolarHBondContact O-N 2.87Å; N160-Y170 PolarHBondContact O-N 3.29Å
161	M	97.3	Very high	97.1	Very high	21 Å²	21	49.2 Å²	49.2	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-108.1	8.9	-174.6	-57.3	-57.1	-67.4	0	0	113.5	H130 I154 P157 F158 K163 V169 L173 V187	H130-M161 HydrophobicContact CB-SD 4.1Å; I154-M161 HydrophobicContact CB-CE 4.43Å; I154-M161 HydrophobicContact CG2-CE 4.12Å; P157-M161 PolarHBondContact O-N 3.09Å; F158-M161 CarbonylContact O-C 3.53Å; F158-M161 PolarHBondContact O-N 2.9Å; M161-K163 PolarHBondContact O-N 3.45Å; M161-V169 HydrophobicContact SD-CB 3.95Å; M161-V169 HydrophobicContact SD-CG1 3.83Å; M161-L173 HydrophobicContact CE-CD1 3.97Å; M161-V187 HydrophobicContact CE-CB 3.96Å; M161-V187 HydrophobicContact CE-CG1 3.48Å; M161-V187 VanDerWaalsContact CE-CG1 3.48Å
162	R	96.8	Very high	97.1	Very high	80 Å²	80	51.7 Å²	51.7	30%	0.302	25%	0.254	S	S	.	.			trans	-57.7	135.2	178.5	-66.2	176.7	63.9	-168	4	111.6	F158 D164 N166 G167	F158-R162 HydrophobicContact CD1-CG 4.14Å; F158-R162 HydrophobicContact CE1-CG 3.81Å; F158-R162 HydrophobicContact CE2-CG 4.49Å; F158-R162 HydrophobicContact CZ-CG 4Å; F158-R162 VanDerWaalsContact O-CG 3.31Å; F158-R162 WeakPolarHBondContact O-CG 3.01Å; F158-R162 PolarHBondContact O-N 2.71Å; R162-D164 IonicContact CZ-OD1 2.7Å; R162-D164 VanDerWaalsContact CZ-OD1 3.31Å; R162-D164 IonicContact CZ-OD2 2.7Å; R162-D164 IonicContact NE-OD1 3.43Å; R162-D164 PolarHBondContact NE-OD1 3.32Å; R162-D164 IonicContact NE-OD2 3.65Å; R162-D164 PolarHBondContact NE-OD2 2.89Å; R162-D164 IonicContact NH2-OD1 3.57Å; R162-D164 PolarHBondContact NH2-OD1 2.6Å; R162-D164 IonicContact NH2-OD2 3.91Å; R162-D164 PolarHBondContact NH2-OD2 3.43Å; R162-N166 PolarHBondContact NH1-ND2 2.02Å; R162-N166 PolarHBondContact NH2-ND2 3.4Å; R162-G167 VanDerWaalsContact O-CA 3.3Å; R162-G167 WeakPolarHBondContact O-CA 3.32Å; R162-G167 PolarHBondContact O-N 3.06Å
163	K	95.6	Very high	97.1	Very high	114 Å²	114	51.8 Å²	51.8	50%	0.496	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.4	179.6	-57.5	-169.6	177	-177.9	0	114.2	M161 G165 Y170	M161-K163 PolarHBondContact O-N 3.45Å; K163-G165 PolarHBondContact O-N 3.35Å; K163-Y170 HydrophobicContact CB-CD1 4.42Å; K163-Y170 HydrophobicContact CB-CE1 4.06Å; K163-Y170 HydrophobicContact CD-CE2 4.2Å; K163-Y170 HydrophobicContact CG-CD1 4.28Å; K163-Y170 HydrophobicContact CG-CD2 4.23Å; K163-Y170 HydrophobicContact CG-CE1 3.89Å; K163-Y170 HydrophobicContact CG-CE2 3.84Å; K163-Y170 HydrophobicContact CG-CG 4.43Å
164	D	95.7	Very high	97	Very high	90 Å²	90	57.2 Å²	57.2	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	16.7	-176.6	58.4	33.4	0	0	0	114.5	R162 N166	R162-D164 IonicContact CZ-OD1 2.7Å; R162-D164 VanDerWaalsContact CZ-OD1 3.31Å; R162-D164 IonicContact CZ-OD2 2.7Å; R162-D164 IonicContact NE-OD1 3.43Å; R162-D164 PolarHBondContact NE-OD1 3.32Å; R162-D164 IonicContact NE-OD2 3.65Å; R162-D164 PolarHBondContact NE-OD2 2.89Å; R162-D164 IonicContact NH2-OD1 3.57Å; R162-D164 PolarHBondContact NH2-OD1 2.6Å; R162-D164 IonicContact NH2-OD2 3.91Å; R162-D164 PolarHBondContact NH2-OD2 3.43Å; D164-N166 VanDerWaalsContact C-N 3.33Å; D164-N166 PolarHBondContact O-N 2.8Å; D164-N166 VanDerWaalsContact OD1-CB 3.29Å; D164-N166 WeakPolarHBondContact OD1-CB 3.39Å; D164-N166 PolarHBondContact OD1-N 2.91Å; D164-N166 PolarHBondContact OD1-ND2 3.18Å
165	G	94.9	Very high	97	Very high	41 Å²	41	64.2 Å²	64.2	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-8.2	-178.1	0	0	0	0	0	114.8	K163 N171	K163-G165 PolarHBondContact O-N 3.35Å; G165-N171 PolarHBondContact O-ND2 2.8Å
166	N	97.1	Very high	97	Very high	97 Å²	97	64.2 Å²	64.2	52%	0.519	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.8	175.3	-59.7	-68.7	0	0	0	113.9	R162 D164 I168	R162-N166 PolarHBondContact NH1-ND2 2.02Å; R162-N166 PolarHBondContact NH2-ND2 3.4Å; D164-N166 VanDerWaalsContact C-N 3.33Å; D164-N166 PolarHBondContact O-N 2.8Å; D164-N166 VanDerWaalsContact OD1-CB 3.29Å; D164-N166 WeakPolarHBondContact OD1-CB 3.39Å; D164-N166 PolarHBondContact OD1-N 2.91Å; D164-N166 PolarHBondContact OD1-ND2 3.18Å; N166-I168 PolarHBondContact O-N 2.84Å
167	G	97.8	Very high	97	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.308	C	S	.	.			trans	-82.3	95.8	178.6	0	0	0	0	0	110.7	N160 R162 V169 Y170 N171	N160-G167 CarbonylContact O-C 3.6Å; N160-G167 VanDerWaalsContact O-C 3.27Å; N160-G167 WeakPolarHBondContact O-CA 3.24Å; R162-G167 VanDerWaalsContact O-CA 3.3Å; R162-G167 WeakPolarHBondContact O-CA 3.32Å; R162-G167 PolarHBondContact O-N 3.06Å; G167-V169 VanDerWaalsContact C-N 3.27Å; G167-V169 PolarHBondContact O-N 3.09Å; G167-Y170 PolarHBondContact O-N 2.91Å; G167-Y170 VanDerWaalsContact O-N 3.12Å; G167-N171 WeakPolarHBondContact O-CB 3.34Å; G167-N171 PolarHBondContact O-N 3.44Å; G167-N171 PolarHBondContact O-ND2 2.94Å
168	I	98.1	Very high	97.1	Very high	105 Å²	105	67.1 Å²	67.1	54%	0.538	32%	0.322	S	S	.	.	H	α-helix	trans	-50.5	-47.7	-175.7	-62.8	172.7	0	0	0	111.6	N160 N166 M172	N160-I168 PolarHBondContact O-N 3.23Å; N166-I168 PolarHBondContact O-N 2.84Å; I168-M172 HydrophobicContact CG2-CE 3.73Å; I168-M172 WeakPolarHBondContact O-CG 3.45Å; I168-M172 PolarHBondContact O-N 2.89Å
169	V	98.5	Very high	97.3	Very high	10 Å²	10	65.6 Å²	65.6	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-73.9	-42.4	-178.6	178	0	0	0	0	110.9	H130 V133 N160 M161 G167 N171 M172 L173	H130-V169 HydrophobicContact CB-CB 4.36Å; H130-V169 HydrophobicContact CB-CG1 4.01Å; H130-V169 HydrophobicContact CB-CG2 4.12Å; V133-V169 HydrophobicContact CB-CG1 3.93Å; V133-V169 HydrophobicContact CG1-CG1 4.09Å; V133-V169 HydrophobicContact CG2-CG1 3.77Å; N160-V169 HydrophobicContact CB-CB 4.43Å; N160-V169 HydrophobicContact CB-CG2 4.13Å; N160-V169 WeakPolarHBondContact O-CB 3.49Å; N160-V169 PolarHBondContact O-N 2.87Å; M161-V169 HydrophobicContact SD-CB 3.95Å; M161-V169 HydrophobicContact SD-CG1 3.83Å; G167-V169 VanDerWaalsContact C-N 3.27Å; G167-V169 PolarHBondContact O-N 3.09Å; V169-N171 VanDerWaalsContact C-N 3.26Å; V169-N171 PolarHBondContact O-N 2.76Å; V169-M172 WeakPolarHBondContact O-CB 3.13Å; V169-M172 PolarHBondContact O-N 3.27Å; V169-M172 VanDerWaalsContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CD1 4.42Å; V169-L173 HydrophobicContact CG1-CG 4.44Å; V169-L173 WeakPolarHBondContact O-CG 3.36Å; V169-L173 PolarHBondContact O-N 3.05Å
170	Y	98.4	Very high	97.3	Very high	16 Å²	16	58.7 Å²	58.7	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-40.8	176	-170.7	-93.4	0	0	0	112.2	V67 N160 K163 G167 M172 L173 K174 V187	V67-Y170 HydrophobicContact CG2-CE2 4.48Å; N160-Y170 PolarHBondContact O-N 3.29Å; K163-Y170 HydrophobicContact CB-CD1 4.42Å; K163-Y170 HydrophobicContact CB-CE1 4.06Å; K163-Y170 HydrophobicContact CD-CE2 4.2Å; K163-Y170 HydrophobicContact CG-CD1 4.28Å; K163-Y170 HydrophobicContact CG-CD2 4.23Å; K163-Y170 HydrophobicContact CG-CE1 3.89Å; K163-Y170 HydrophobicContact CG-CE2 3.84Å; K163-Y170 HydrophobicContact CG-CG 4.43Å; G167-Y170 PolarHBondContact O-N 2.91Å; G167-Y170 VanDerWaalsContact O-N 3.12Å; Y170-M172 PolarHBondContact O-N 2.82Å; Y170-L173 PolarHBondContact O-N 2.79Å; Y170-K174 PolarHBondContact O-N 3.09Å; Y170-V187 HydrophobicContact CD2-CG1 4.24Å; Y170-V187 HydrophobicContact CE2-CG1 4.32Å; Y170-V187 HydrophobicContact CE2-CG2 4.15Å
171	N	98.4	Very high	97.2	Very high	61 Å²	61	61.4 Å²	61.4	33%	0.326	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176.3	-66.6	-17.9	0	0	0	112.2	G165 G167 V169 L173 K174 K175	G165-N171 PolarHBondContact O-ND2 2.8Å; G167-N171 WeakPolarHBondContact O-CB 3.34Å; G167-N171 PolarHBondContact O-N 3.44Å; G167-N171 PolarHBondContact O-ND2 2.94Å; V169-N171 VanDerWaalsContact C-N 3.26Å; V169-N171 PolarHBondContact O-N 2.76Å; N171-L173 VanDerWaalsContact C-N 3.34Å; N171-K174 PolarHBondContact O-N 3.16Å; N171-K175 PolarHBondContact O-N 3.37Å
172	M	98.4	Very high	97.1	Very high	67 Å²	67	66.3 Å²	66.3	33%	0.33	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-45.3	173.2	-69.7	171.3	-179.8	0	0	111.1	P134 L137 I168 V169 Y170 K175 T176	P134-M172 HydrophobicContact CG-SD 4.36Å; L137-M172 HydrophobicContact CD1-CB 3.98Å; L137-M172 HydrophobicContact CD1-CG 4.38Å; L137-M172 HydrophobicContact CD1-SD 4.37Å; I168-M172 HydrophobicContact CG2-CE 3.73Å; I168-M172 WeakPolarHBondContact O-CG 3.45Å; I168-M172 PolarHBondContact O-N 2.89Å; V169-M172 WeakPolarHBondContact O-CB 3.13Å; V169-M172 PolarHBondContact O-N 3.27Å; V169-M172 VanDerWaalsContact O-N 3.11Å; Y170-M172 PolarHBondContact O-N 2.82Å; M172-K175 PolarHBondContact O-N 3.24Å; M172-T176 WeakPolarHBondContact O-CB 3.37Å; M172-T176 PolarHBondContact O-N 2.96Å; M172-T176 PolarHBondContact O-OG1 3.36Å
173	L	98.4	Very high	97	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-41.8	177.8	-61.3	174.5	0	0	0	111.8	V67 V133 I154 M161 V169 Y170 N171 K175 T176 V177 I185 V187	V67-L173 HydrophobicContact CG1-CB 4.47Å; V67-L173 HydrophobicContact CG2-CB 4.36Å; V133-L173 HydrophobicContact CG1-CD2 3.75Å; V133-L173 HydrophobicContact CG1-CG 4.46Å; V133-L173 HydrophobicContact CG2-CD2 4.09Å; I154-L173 HydrophobicContact CB-CD1 4.02Å; I154-L173 HydrophobicContact CD1-CD2 4.35Å; I154-L173 HydrophobicContact CG1-CD1 3.78Å; I154-L173 HydrophobicContact CG1-CD2 3.94Å; I154-L173 HydrophobicContact CG2-CD1 4.05Å; M161-L173 HydrophobicContact CE-CD1 3.97Å; V169-L173 HydrophobicContact CG1-CD1 4.42Å; V169-L173 HydrophobicContact CG1-CG 4.44Å; V169-L173 WeakPolarHBondContact O-CG 3.36Å; V169-L173 PolarHBondContact O-N 3.05Å; Y170-L173 PolarHBondContact O-N 2.79Å; N171-L173 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.24Å; L173-T176 WeakPolarHBondContact O-CB 3.04Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 VanDerWaalsContact O-N 3.11Å; L173-V177 PolarHBondContact O-N 3.42Å; L173-I185 HydrophobicContact CB-CG2 4.46Å; L173-I185 HydrophobicContact CD1-CG2 4.4Å; L173-I185 HydrophobicContact CD2-CG2 4.01Å; L173-V187 HydrophobicContact CD1-CG1 3.68Å
174	K	98	Very high	97.1	Very high	116 Å²	116	60.5 Å²	60.5	50%	0.504	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-49.9	175.8	-170.4	-177.6	-179	-178.2	0	111.1	Y170 N171 T176 V177 D178	Y170-K174 PolarHBondContact O-N 3.09Å; N171-K174 PolarHBondContact O-N 3.16Å; K174-T176 PolarHBondContact O-N 2.8Å; K174-V177 WeakPolarHBondContact O-CG2 3.08Å; K174-V177 PolarHBondContact O-N 3.15Å; K174-D178 VanDerWaalsContact O-CG 3.26Å; K174-D178 PolarHBondContact O-N 3.27Å; K174-D178 VanDerWaalsContact O-N 3.09Å
175	K	98.1	Very high	97.3	Very high	150 Å²	150	56.3 Å²	56.3	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-61.1	-35.3	175.2	-174.5	177.3	-179.8	-179.2	0	112.4	N171 M172 L173 D178 T179	N171-K175 PolarHBondContact O-N 3.37Å; M172-K175 PolarHBondContact O-N 3.24Å; L173-K175 PolarHBondContact O-N 3.24Å; K175-D178 PolarHBondContact O-N 3.14Å; K175-T179 PolarHBondContact O-N 3.16Å; K175-T179 VanDerWaalsContact O-N 3.14Å; K175-T179 PolarHBondContact O-OG1 2.51Å
176	T	97.9	Very high	97.5	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-50.2	179	-56	0	0	0	0	110.8	L137 F144 M172 L173 K174 D178 T179 Y180 I185	L137-T176 HydrophobicContact CD2-CG2 4.14Å; L137-T176 VanDerWaalsContact CD2-OG1 3.31Å; L137-T176 WeakPolarHBondContact CD2-OG1 3.34Å; F144-T176 HydrophobicContact CD1-CG2 4.36Å; F144-T176 HydrophobicContact CD2-CG2 3.78Å; F144-T176 HydrophobicContact CE1-CG2 4.36Å; F144-T176 HydrophobicContact CE2-CG2 3.79Å; F144-T176 HydrophobicContact CG-CG2 4.08Å; F144-T176 HydrophobicContact CZ-CG2 4.07Å; M172-T176 WeakPolarHBondContact O-CB 3.37Å; M172-T176 PolarHBondContact O-N 2.96Å; M172-T176 PolarHBondContact O-OG1 3.36Å; L173-T176 WeakPolarHBondContact O-CB 3.04Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 VanDerWaalsContact O-N 3.11Å; K174-T176 PolarHBondContact O-N 2.8Å; T176-D178 VanDerWaalsContact C-N 3.27Å; T176-D178 PolarHBondContact O-N 3.24Å; T176-T179 PolarHBondContact O-N 2.8Å; T176-T179 VanDerWaalsContact O-N 3.08Å; T176-Y180 HydrophobicContact CG2-CD2 4.11Å; T176-Y180 WeakPolarHBondContact O-CD2 3.37Å; T176-Y180 PolarHBondContact O-N 2.71Å; T176-I185 HydrophobicContact CG2-CD1 3.79Å
177	V	96.9	Very high	97.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-37.9	178	-62.2	0	0	0	0	110.8	V67 R68 L173 K174 T179 Y180 I185	V67-V177 HydrophobicContact CB-CG1 4.25Å; V67-V177 HydrophobicContact CG1-CG1 4.35Å; V67-V177 HydrophobicContact CG1-CG2 3.97Å; R68-V177 HydrophobicContact CB-CB 4.49Å; R68-V177 HydrophobicContact CB-CG2 4.32Å; R68-V177 VanDerWaalsContact NH2-C 3.29Å; R68-V177 PolarHBondContact NH2-O 3.42Å; L173-V177 PolarHBondContact O-N 3.42Å; K174-V177 WeakPolarHBondContact O-CG2 3.08Å; K174-V177 PolarHBondContact O-N 3.15Å; V177-T179 PolarHBondContact O-N 2.91Å; V177-Y180 CarbonylContact O-C 3.48Å; V177-Y180 PolarHBondContact O-N 2.93Å; V177-Y180 VanDerWaalsContact O-O 3.1Å; V177-I185 HydrophobicContact CG1-CB 3.91Å; V177-I185 HydrophobicContact CG1-CD1 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4Å
178	D	96.7	Very high	97.6	Very high	102 Å²	102	51.9 Å²	51.9	55%	0.545	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-35	175.6	-67.4	-23.7	0	0	0	112.7	K174 K175 T176	K174-D178 VanDerWaalsContact O-CG 3.26Å; K174-D178 PolarHBondContact O-N 3.27Å; K174-D178 VanDerWaalsContact O-N 3.09Å; K175-D178 PolarHBondContact O-N 3.14Å; T176-D178 VanDerWaalsContact C-N 3.27Å; T176-D178 PolarHBondContact O-N 3.24Å
179	T	97.2	Very high	97.6	Very high	85 Å²	85	48.6 Å²	48.6	52%	0.521	25%	0.25	S	C	.	.	H	α-helix	trans	-83.5	-36.7	179.9	-51.1	0	0	0	0	112.5	K175 T176 V177 P181	K175-T179 PolarHBondContact O-N 3.16Å; K175-T179 VanDerWaalsContact O-N 3.14Å; K175-T179 PolarHBondContact O-OG1 2.51Å; T176-T179 PolarHBondContact O-N 2.8Å; T176-T179 VanDerWaalsContact O-N 3.08Å; V177-T179 PolarHBondContact O-N 2.91Å; T179-P181 WeakPolarHBondContact O-CD 3.39Å
180	Y	97	Very high	97.4	Very high	43 Å²	43	53.8 Å²	53.8	17%	0.169	27%	0.273	C	S	.	.			trans	-118.1	84.3	-178.6	-61.1	-88.2	0	0	0	108.8	P140 F144 K145 T176 V177 D182 A183	P140-Y180 HydrophobicContact CB-CE2 3.93Å; P140-Y180 WeakPolarHBondContact CB-OH 3.14Å; P140-Y180 WeakPolarHBondContact CG-OH 2.98Å; F144-Y180 HydrophobicContact CB-CD1 3.73Å; F144-Y180 HydrophobicContact CB-CD2 3.95Å; F144-Y180 HydrophobicContact CB-CE1 4.26Å; F144-Y180 HydrophobicContact CB-CE2 4.47Å; F144-Y180 HydrophobicContact CB-CG 3.57Å; F144-Y180 HydrophobicContact CD2-CD2 4.5Å; K145-Y180 HydrophobicContact CB-CD1 4.33Å; K145-Y180 HydrophobicContact CB-CE1 4.15Å; T176-Y180 HydrophobicContact CG2-CD2 4.11Å; T176-Y180 WeakPolarHBondContact O-CD2 3.37Å; T176-Y180 PolarHBondContact O-N 2.71Å; V177-Y180 CarbonylContact O-C 3.48Å; V177-Y180 PolarHBondContact O-N 2.93Å; V177-Y180 VanDerWaalsContact O-O 3.1Å; Y180-D182 PolarHBondContact O-N 3.25Å; Y180-A183 VanDerWaalsContact O-CB 3.23Å; Y180-A183 WeakPolarHBondContact O-CB 3.19Å; Y180-A183 PolarHBondContact O-N 3.3Å
181	P	93.9	Very high	97.4	Very high	80 Å²	80	61 Å²	61	52%	0.519	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.6	-170.5	24.2	-33.9	0	0	0	113.9	T179 A183	T179-P181 WeakPolarHBondContact O-CD 3.39Å; P181-A183 VanDerWaalsContact C-N 3.31Å
182	D	94.7	Very high	97.3	Very high	124 Å²	124	59.6 Å²	59.6	66%	0.663	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.8	177.8	-56.5	-40.6	0	0	0	113	Y180 Q184	Y180-D182 PolarHBondContact O-N 3.25Å; D182-Q184 PolarHBondContact O-N 3.37Å
183	A	95.9	Very high	97.3	Very high	7 Å²	7	57.5 Å²	57.5	6%	0.058	29%	0.287	C	S	.	.			trans	-67	120.9	-178.1	0	0	0	0	0	111.2	F144 Y180 P181 I185	F144-A183 HydrophobicContact CB-CB 4.26Å; F144-A183 HydrophobicContact CD1-CB 4.11Å; Y180-A183 VanDerWaalsContact O-CB 3.23Å; Y180-A183 WeakPolarHBondContact O-CB 3.19Å; Y180-A183 PolarHBondContact O-N 3.3Å; P181-A183 VanDerWaalsContact C-N 3.31Å; A183-I185 HydrophobicContact CB-CD1 4.25Å; A183-I185 HydrophobicContact CB-CG1 4.13Å; A183-I185 PolarHBondContact O-N 3.07Å
184	Q	97.6	Very high	97.1	Very high	65 Å²	65	61.6 Å²	61.6	30%	0.304	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	85.7	179	-67.5	178.1	81.8	0	0	110.3	T149 I151 Y152 D182 Y186	T149-Q184 PolarHBondContact O-NE2 3.46Å; I151-Q184 HydrophobicContact CG1-CB 4.3Å; Y152-Q184 PolarHBondContact N-O 3.43Å; D182-Q184 PolarHBondContact O-N 3.37Å; Q184-Y186 HydrophobicContact CB-CE2 4.29Å
185	I	98.6	Very high	97	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	-177.7	-53.5	-175.3	0	0	0	110.6	N66 V67 F144 I154 L173 T176 V177 A183	N66-I185 WeakPolarHBondContact CA-O 3.48Å; V67-I185 HydrophobicContact CG2-CB 4.36Å; V67-I185 HydrophobicContact CG2-CG2 3.88Å; V67-I185 WeakPolarHBondContact CG2-O 3.48Å; V67-I185 PolarHBondContact N-O 2.98Å; F144-I185 HydrophobicContact CD1-CD1 4.21Å; F144-I185 HydrophobicContact CE1-CD1 3.83Å; F144-I185 HydrophobicContact CE1-CG1 4.4Å; F144-I185 HydrophobicContact CZ-CD1 4.43Å; I154-I185 HydrophobicContact CD1-CG2 4.48Å; I154-I185 HydrophobicContact CG1-CG2 3.9Å; L173-I185 HydrophobicContact CB-CG2 4.46Å; L173-I185 HydrophobicContact CD1-CG2 4.4Å; L173-I185 HydrophobicContact CD2-CG2 4.01Å; T176-I185 HydrophobicContact CG2-CD1 3.79Å; V177-I185 HydrophobicContact CG1-CB 3.91Å; V177-I185 HydrophobicContact CG1-CD1 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4Å; A183-I185 HydrophobicContact CB-CD1 4.25Å; A183-I185 HydrophobicContact CB-CG1 4.13Å; A183-I185 PolarHBondContact O-N 3.07Å
186	Y	98.8	Very high	97	Very high	22 Å²	22	54.6 Å²	54.6	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.9	176.5	-66	-100.5	0	0	0	110.4	I65 N66 L73 I151 Y152 I154 Q184	I65-Y186 CarbonylContact O-C 3.57Å; I65-Y186 VanDerWaalsContact O-CA 3.28Å; I65-Y186 WeakPolarHBondContact O-CA 3.5Å; N66-Y186 HydrophobicContact CB-CD1 3.93Å; N66-Y186 HydrophobicContact CB-CE1 3.6Å; N66-Y186 VanDerWaalsContact N-CD1 3.29Å; L73-Y186 VanDerWaalsContact CA-CE1 3.43Å; L73-Y186 HydrophobicContact CB-CD1 3.76Å; L73-Y186 HydrophobicContact CB-CE1 3.8Å; L73-Y186 HydrophobicContact CB-CG 4.43Å; L73-Y186 HydrophobicContact CD1-CD1 4.26Å; L73-Y186 HydrophobicContact CD1-CD2 4.18Å; L73-Y186 HydrophobicContact CD1-CE1 4.03Å; L73-Y186 HydrophobicContact CD1-CE2 3.92Å; L73-Y186 HydrophobicContact CD1-CG 4.36Å; I151-Y186 HydrophobicContact CG2-CD2 3.75Å; I151-Y186 HydrophobicContact CG2-CE2 3.87Å; Y152-Y186 PolarHBondContact O-N 2.77Å; I154-Y186 WeakPolarHBondContact CG1-O 3.47Å; I154-Y186 PolarHBondContact N-O 3.14Å; Q184-Y186 HydrophobicContact CB-CE2 4.29Å
187	V	98.7	Very high	96.8	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.6	171.8	-64.7	0	0	0	0	110.4	Y64 I65 V67 I154 M161 Y170 L173	Y64-V187 WeakPolarHBondContact CA-O 3.48Å; I65-V187 PolarHBondContact N-O 3.23Å; I65-V187 PolarHBondContact O-N 2.8Å; V67-V187 HydrophobicContact CG2-CG1 3.66Å; I154-V187 HydrophobicContact CB-CG1 4.39Å; I154-V187 WeakPolarHBondContact O-CA 3.47Å; M161-V187 HydrophobicContact CE-CB 3.96Å; M161-V187 HydrophobicContact CE-CG1 3.48Å; M161-V187 VanDerWaalsContact CE-CG1 3.48Å; Y170-V187 HydrophobicContact CD2-CG1 4.24Å; Y170-V187 HydrophobicContact CE2-CG1 4.32Å; Y170-V187 HydrophobicContact CE2-CG2 4.15Å; L173-V187 HydrophobicContact CD1-CG1 3.68Å
188	T	98.5	Very high	96.7	Very high	14 Å²	14	57 Å²	57	9%	0.086	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.2	171.6	-52.9	0	0	0	0	109.5	Y64 I154 R192 M193	Y64-T188 HydrophobicContact CD1-CG2 4.2Å; Y64-T188 HydrophobicContact CE1-CG2 3.94Å; I154-T188 PolarHBondContact O-N 2.91Å; I154-T188 PolarHBondContact O-OG1 3.32Å; T188-R192 HydrophobicContact CG2-CB 3.7Å; T188-R192 HydrophobicContact CG2-CG 3.69Å; T188-M193 HydrophobicContact CG2-CG 3.95Å; T188-M193 HydrophobicContact CG2-SD 3.84Å
189	T	97.9	Very high	96.7	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.221	28%	0.279	C	S	.	.			trans	-70.3	157.2	179.3	65.1	0	0	0	0	111.4	G63 I65 Q191 R192 M193	G63-T189 PolarHBondContact O-N 2.56Å; G63-T189 PolarHBondContact O-OG1 2.81Å; I65-T189 HydrophobicContact CG1-CG2 3.57Å; T189-Q191 PolarHBondContact O-N 3.23Å; T189-R192 PolarHBondContact O-N 3.32Å; T189-R192 VanDerWaalsContact O-N 3.09Å; T189-R192 WeakPolarHBondContact OG1-CB 3.27Å; T189-R192 PolarHBondContact OG1-N 3.09Å; T189-R192 VanDerWaalsContact OG1-N 3.15Å; T189-M193 WeakPolarHBondContact O-CG 3.09Å; T189-M193 PolarHBondContact O-N 3.15Å
190	E	96.3	Very high	96.7	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	25%	0.254	S	S	*	.	H	α-helix	trans	-56.8	-40.8	174.2	-175.4	177.5	177.8	0	0	111.6	F158 R192 M193 T194	F158-E190 WeakPolarHBondContact CD2-OE2 3.22Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 3.32Å; E190-M193 WeakPolarHBondContact O-CB 3.46Å; E190-M193 PolarHBondContact O-N 3.41Å; E190-T194 PolarHBondContact O-N 3.39Å; E190-T194 PolarHBondContact O-OG1 2.87Å; E190-T194 VanDerWaalsContact O-OG1 3.13Å
191	Q	97.1	Very high	96.6	Very high	167 Å²	167	51.4 Å²	51.4	78%	0.78	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-39.2	177.2	-157.1	177.1	15.4	0	0	111.9	T189 T194 Y195	T189-Q191 PolarHBondContact O-N 3.23Å; Q191-T194 PolarHBondContact O-N 3.21Å; Q191-Y195 WeakPolarHBondContact O-CB 3.36Å; Q191-Y195 PolarHBondContact O-N 3.17Å
192	R	97.7	Very high	96.7	Very high	33 Å²	33	54.2 Å²	54.2	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-71.2	-35.2	175.3	-171.4	59.6	175.1	177.8	3.1	112.1	G63 Y64 T188 T189 E190 Y195 C196 D227	G63-R192 WeakPolarHBondContact O-CB 3.5Å; Y64-R192 HydrophobicContact CE1-CG 4.13Å; Y64-R192 HydrophobicContact CE2-CG 4.35Å; Y64-R192 PolarHBondContact OH-NE 3.32Å; Y64-R192 VanDerWaalsContact OH-NE 3.14Å; T188-R192 HydrophobicContact CG2-CB 3.7Å; T188-R192 HydrophobicContact CG2-CG 3.69Å; T189-R192 PolarHBondContact O-N 3.32Å; T189-R192 VanDerWaalsContact O-N 3.09Å; T189-R192 WeakPolarHBondContact OG1-CB 3.27Å; T189-R192 PolarHBondContact OG1-N 3.09Å; T189-R192 VanDerWaalsContact OG1-N 3.15Å; E190-R192 VanDerWaalsContact C-N 3.33Å; E190-R192 PolarHBondContact O-N 3.32Å; R192-Y195 WeakPolarHBondContact O-CB 3.21Å; R192-Y195 PolarHBondContact O-N 3.49Å; R192-C196 PolarHBondContact O-N 2.89Å; R192-C196 PolarHBondContact O-SG 3.33Å; R192-D227 IonicContact CZ-OD2 2.78Å; R192-D227 VanDerWaalsContact NH2-CG 3.26Å; R192-D227 IonicContact NH2-OD1 3.52Å; R192-D227 PolarHBondContact NH2-OD1 3.49Å; R192-D227 IonicContact NH2-OD2 2.74Å; R192-D227 PolarHBondContact NH2-OD2 2.99Å
193	M	96.4	Very high	96.7	Very high	22 Å²	22	50.7 Å²	50.7	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-48.8	171.8	-71.3	-64.1	-59.3	0	0	111.1	W155 T188 T189 E190 Y195 C196 D197 F220	W155-M193 HydrophobicContact CB-SD 4.04Å; W155-M193 HydrophobicContact CE3-CE 4.02Å; T188-M193 HydrophobicContact CG2-CG 3.95Å; T188-M193 HydrophobicContact CG2-SD 3.84Å; T189-M193 WeakPolarHBondContact O-CG 3.09Å; T189-M193 PolarHBondContact O-N 3.15Å; E190-M193 WeakPolarHBondContact O-CB 3.46Å; E190-M193 PolarHBondContact O-N 3.41Å; M193-Y195 VanDerWaalsContact C-N 3.31Å; M193-Y195 PolarHBondContact O-N 3.13Å; M193-C196 WeakPolarHBondContact O-CB 3.26Å; M193-C196 PolarHBondContact O-N 3.04Å; M193-C196 VanDerWaalsContact O-N 3.14Å; M193-D197 PolarHBondContact O-N 2.85Å; M193-F220 HydrophobicContact CE-CE1 3.73Å; M193-F220 HydrophobicContact CE-CZ 3.58Å; M193-F220 HydrophobicContact SD-CD1 4.31Å; M193-F220 HydrophobicContact SD-CE1 3.57Å; M193-F220 VanDerWaalsContact SD-CE1 3.57Å; M193-F220 HydrophobicContact SD-CZ 4.04Å
194	T	95.3	Very high	96.6	Very high	89 Å²	89	52 Å²	52	55%	0.546	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-39.5	176.2	-60.1	0	0	0	0	112	E190 Q191 D197 G198	E190-T194 PolarHBondContact O-N 3.39Å; E190-T194 PolarHBondContact O-OG1 2.87Å; E190-T194 VanDerWaalsContact O-OG1 3.13Å; Q191-T194 PolarHBondContact O-N 3.21Å; T194-D197 PolarHBondContact O-N 2.93Å; T194-G198 PolarHBondContact O-N 2.74Å
195	Y	96.9	Very high	96.4	Very high	118 Å²	118	52.2 Å²	52.2	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-46.6	172.8	172	-91.4	0	0	0	111.8	Q191 R192 M193 D197 G198 V199 I223	Q191-Y195 WeakPolarHBondContact O-CB 3.36Å; Q191-Y195 PolarHBondContact O-N 3.17Å; R192-Y195 WeakPolarHBondContact O-CB 3.21Å; R192-Y195 PolarHBondContact O-N 3.49Å; M193-Y195 VanDerWaalsContact C-N 3.31Å; M193-Y195 PolarHBondContact O-N 3.13Å; Y195-D197 VanDerWaalsContact C-N 3.3Å; Y195-D197 PolarHBondContact O-N 2.86Å; Y195-G198 WeakPolarHBondContact O-CA 3.21Å; Y195-G198 PolarHBondContact O-N 3.35Å; Y195-G198 VanDerWaalsContact O-N 3.11Å; Y195-V199 HydrophobicContact CD1-CG2 4.08Å; Y195-V199 HydrophobicContact CE1-CG2 3.57Å; Y195-V199 HydrophobicContact CE2-CG2 4.06Å; Y195-V199 WeakPolarHBondContact O-CG2 3.42Å; Y195-V199 PolarHBondContact O-N 2.88Å; Y195-I223 HydrophobicContact CE1-CG2 4.17Å
196	C	96.3	Very high	95.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-37.9	179.1	-64.1	0	0	0	0	112.3	R192 M193 F200 L215 W219 F220 I223	R192-C196 PolarHBondContact O-N 2.89Å; R192-C196 PolarHBondContact O-SG 3.33Å; M193-C196 WeakPolarHBondContact O-CB 3.26Å; M193-C196 PolarHBondContact O-N 3.04Å; M193-C196 VanDerWaalsContact O-N 3.14Å; C196-F200 PolarHBondContact O-N 2.87Å; C196-L215 HydrophobicContact CB-CD1 4.26Å; C196-W219 PolarHBondContact O-NE1 2.89Å; C196-F220 HydrophobicContact CB-CD1 4.05Å; C196-F220 HydrophobicContact CB-CE1 3.66Å; C196-I223 HydrophobicContact CB-CD1 3.87Å
197	D	94.2	Very high	95.2	Very high	33 Å²	33	57.4 Å²	57.4	18%	0.176	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-41.3	173.3	-76	-15.8	0	0	0	111.5	M193 T194 Y195 F200 K201 R208	M193-D197 PolarHBondContact O-N 2.85Å; T194-D197 PolarHBondContact O-N 2.93Å; Y195-D197 VanDerWaalsContact C-N 3.3Å; Y195-D197 PolarHBondContact O-N 2.86Å; D197-F200 PolarHBondContact O-N 2.71Å; D197-K201 PolarHBondContact O-N 3.45Å; D197-R208 IonicContact OD1-CZ 3.31Å; D197-R208 IonicContact OD1-NE 2.69Å; D197-R208 PolarHBondContact OD1-NE 3.03Å; D197-R208 IonicContact OD1-NH2 3.19Å; D197-R208 PolarHBondContact OD1-NH2 3Å; D197-R208 IonicContact OD2-CZ 3.31Å; D197-R208 IonicContact OD2-NE 3.97Å; D197-R208 IonicContact OD2-NH2 3.59Å; D197-R208 PolarHBondContact OD2-NH2 3.38Å
198	G	96.1	Very high	94.4	Very high	27 Å²	27	58.9 Å²	58.9	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-48	175.2	0	0	0	0	0	112.5	T194 Y195 F200 K201 D202	T194-G198 PolarHBondContact O-N 2.74Å; Y195-G198 WeakPolarHBondContact O-CA 3.21Å; Y195-G198 PolarHBondContact O-N 3.35Å; Y195-G198 VanDerWaalsContact O-N 3.11Å; G198-F200 VanDerWaalsContact C-N 3.26Å; G198-F200 PolarHBondContact O-N 2.89Å; G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 2.85Å; G198-K201 VanDerWaalsContact O-N 3.1Å; G198-D202 VanDerWaalsContact O-CG 3.26Å; G198-D202 PolarHBondContact O-N 3.12Å
199	V	96.7	Very high	93.4	Very high	22 Å²	22	63 Å²	63	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-56.8	-41.9	175.6	176.3	0	0	0	0	110.8	Y195 K201 D202 E203 W219 I223 W289	Y195-V199 HydrophobicContact CD1-CG2 4.08Å; Y195-V199 HydrophobicContact CE1-CG2 3.57Å; Y195-V199 HydrophobicContact CE2-CG2 4.06Å; Y195-V199 WeakPolarHBondContact O-CG2 3.42Å; Y195-V199 PolarHBondContact O-N 2.88Å; V199-K201 PolarHBondContact O-N 3.46Å; V199-D202 PolarHBondContact O-N 2.77Å; V199-E203 HydrophobicContact CG1-CG 4.23Å; V199-E203 WeakPolarHBondContact O-CB 3.42Å; V199-E203 VanDerWaalsContact O-CG 3.24Å; V199-E203 WeakPolarHBondContact O-CG 3.49Å; V199-E203 PolarHBondContact O-N 3.47Å; V199-W219 HydrophobicContact CB-CZ2 4.29Å; V199-W219 HydrophobicContact CG1-CZ2 3.86Å; V199-I223 HydrophobicContact CB-CD1 4.3Å; V199-I223 HydrophobicContact CG1-CD1 4.35Å; V199-W289 HydrophobicContact CG1-CH2 4.26Å; V199-W289 HydrophobicContact CG1-CZ2 3.69Å
200	F	95.3	Very high	92.3	Very high	1 Å²	1	68.9 Å²	68.9	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-43.4	178.4	-178.8	-94.1	0	0	0	111.7	C196 D197 G198 E203 T204 K206 R208 L215 W219 R278 T281 E282	C196-F200 PolarHBondContact O-N 2.87Å; D197-F200 PolarHBondContact O-N 2.71Å; G198-F200 VanDerWaalsContact C-N 3.26Å; G198-F200 PolarHBondContact O-N 2.89Å; F200-E203 PolarHBondContact O-N 3.23Å; F200-T204 HydrophobicContact CD2-CG2 4.07Å; F200-T204 HydrophobicContact CE1-CG2 4.32Å; F200-T204 HydrophobicContact CE2-CG2 3.84Å; F200-T204 HydrophobicContact CG-CG2 4.43Å; F200-T204 HydrophobicContact CZ-CG2 3.97Å; F200-T204 WeakPolarHBondContact O-CB 3.4Å; F200-T204 WeakPolarHBondContact O-CG2 3.28Å; F200-T204 PolarHBondContact O-N 3.21Å; F200-T204 PolarHBondContact O-OG1 3.27Å; F200-K206 WeakPolarHBondContact CD1-O 3.47Å; F200-K206 HydrophobicContact CE1-CB 4.15Å; F200-R208 HydrophobicContact CD1-CB 4.36Å; F200-L215 HydrophobicContact CB-CD1 4.4Å; F200-L215 HydrophobicContact CB-CD2 3.78Å; F200-L215 HydrophobicContact CD1-CD2 4.11Å; F200-L215 HydrophobicContact CD2-CD2 3.37Å; F200-L215 HydrophobicContact CE2-CD2 3.92Å; F200-L215 HydrophobicContact CG-CD2 3.48Å; F200-L215 VanDerWaalsContact CG-CD2 3.48Å; F200-L215 HydrophobicContact CZ-CD2 4.5Å; F200-W219 HydrophobicContact CB-CH2 4.1Å; F200-W219 HydrophobicContact CB-CZ2 3.55Å; F200-W219 HydrophobicContact CD2-CD2 4.42Å; F200-W219 HydrophobicContact CD2-CE3 4.26Å; F200-W219 AromaticContact CD2-CH2 3.75Å; F200-W219 HydrophobicContact CD2-CH2 3.75Å; F200-W219 AromaticContact CD2-CZ2 3.94Å; F200-W219 HydrophobicContact CD2-CZ2 3.94Å; F200-W219 AromaticContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CG-CH2 4.39Å; F200-W219 HydrophobicContact CG-CZ2 4.26Å; F200-R278 HydrophobicContact CE2-CB 4.45Å; F200-R278 HydrophobicContact CZ-CB 4.09Å; F200-R278 HydrophobicContact CZ-CG 4.22Å; F200-T281 HydrophobicContact CE2-CG2 4.17Å; F200-T281 HydrophobicContact CZ-CG2 4.05Å; F200-E282 HydrophobicContact CD2-CG 4.49Å; F200-E282 HydrophobicContact CE2-CG 4.03Å
201	K	95.3	Very high	91.2	Very high	90 Å²	90	64.9 Å²	64.9	39%	0.391	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-44	176.8	-175.7	174.8	-175.3	161.6	0	111.8	D197 G198 V199 E203 T204 G205 K206 D207	D197-K201 PolarHBondContact O-N 3.45Å; G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 2.85Å; G198-K201 VanDerWaalsContact O-N 3.1Å; V199-K201 PolarHBondContact O-N 3.46Å; K201-E203 VanDerWaalsContact C-N 3.34Å; K201-E203 PolarHBondContact O-N 3.08Å; K201-T204 PolarHBondContact O-N 3.28Å; K201-G205 WeakPolarHBondContact O-CA 2.95Å; K201-G205 PolarHBondContact O-N 3.2Å; K201-K206 WeakPolarHBondContact CA-O 3.47Å; K201-D207 HydrophobicContact CD-CB 4.41Å; K201-D207 IonicContact NZ-OD2 2.88Å; K201-D207 PolarHBondContact NZ-OD2 2.99Å
202	D	96.2	Very high	90.2	Very high	138 Å²	138	57.8 Å²	57.8	74%	0.738	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-37	179.9	-66.3	-17.7	0	0	0	111.8	G198 V199	G198-D202 VanDerWaalsContact O-CG 3.26Å; G198-D202 PolarHBondContact O-N 3.12Å; V199-D202 PolarHBondContact O-N 2.77Å
203	E	96	Very high	89.5	Confident	50 Å²	50	56.3 Å²	56.3	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-77.1	-29.9	-179.7	-71.9	-70	-178.2	0	0	113.6	V199 F200 K201 V285 K288 W289	V199-E203 HydrophobicContact CG1-CG 4.23Å; V199-E203 WeakPolarHBondContact O-CB 3.42Å; V199-E203 VanDerWaalsContact O-CG 3.24Å; V199-E203 WeakPolarHBondContact O-CG 3.49Å; V199-E203 PolarHBondContact O-N 3.47Å; F200-E203 PolarHBondContact O-N 3.23Å; K201-E203 VanDerWaalsContact C-N 3.34Å; K201-E203 PolarHBondContact O-N 3.08Å; E203-V285 HydrophobicContact CB-CB 4.49Å; E203-V285 HydrophobicContact CB-CG1 3.76Å; E203-V285 HydrophobicContact CB-CG2 3.85Å; E203-V285 HydrophobicContact CG-CG1 3.72Å; E203-K288 WeakPolarHBondContact OE2-CD 3.07Å; E203-K288 WeakPolarHBondContact OE2-CE 3.38Å; E203-K288 IonicContact OE2-NZ 2.66Å; E203-K288 PolarHBondContact OE2-NZ 2.55Å; E203-W289 HydrophobicContact CG-CZ2 4.22Å; E203-W289 PolarHBondContact OE1-NE1 3.14Å
204	T	93.3	Very high	89	Confident	36 Å²	36	60.1 Å²	60.1	22%	0.221	33%	0.327	C	S	.	.	H	α-helix	trans	-116.3	-16	-170	69.2	0	0	0	0	114.5	F200 K201 K206 T281 V285	F200-T204 HydrophobicContact CD2-CG2 4.07Å; F200-T204 HydrophobicContact CE1-CG2 4.32Å; F200-T204 HydrophobicContact CE2-CG2 3.84Å; F200-T204 HydrophobicContact CG-CG2 4.43Å; F200-T204 HydrophobicContact CZ-CG2 3.97Å; F200-T204 WeakPolarHBondContact O-CB 3.4Å; F200-T204 WeakPolarHBondContact O-CG2 3.28Å; F200-T204 PolarHBondContact O-N 3.21Å; F200-T204 PolarHBondContact O-OG1 3.27Å; K201-T204 PolarHBondContact O-N 3.28Å; T204-K206 PolarHBondContact O-N 3.16Å; T204-K206 WeakPolarHBondContact OG1-CB 3.44Å; T204-K206 PolarHBondContact OG1-N 3.41Å; T204-K206 VanDerWaalsContact OG1-N 3.07Å; T204-T281 HydrophobicContact CG2-CG2 3.57Å; T204-V285 HydrophobicContact CG2-CG2 3.72Å
205	G	92.7	Very high	88.9	Confident	69 Å²	69	56 Å²	56	71%	0.711	30%	0.301	S	S	*	.	S	Bend	trans	69.4	2.7	-167.6	0	0	0	0	0	114.2	K201	K201-G205 WeakPolarHBondContact O-CA 2.95Å; K201-G205 PolarHBondContact O-N 3.2Å
206	K	86.2	Confident	88.9	Confident	97 Å²	97	50.9 Å²	50.9	42%	0.422	28%	0.283	S	S	.	.			trans	-104.3	127.9	-176.3	-63.1	178.9	-178.4	176.3	0	110.6	F200 K201 T204 R208	F200-K206 WeakPolarHBondContact CD1-O 3.47Å; F200-K206 HydrophobicContact CE1-CB 4.15Å; K201-K206 WeakPolarHBondContact CA-O 3.47Å; T204-K206 PolarHBondContact O-N 3.16Å; T204-K206 WeakPolarHBondContact OG1-CB 3.44Å; T204-K206 PolarHBondContact OG1-N 3.41Å; T204-K206 VanDerWaalsContact OG1-N 3.07Å; K206-R208 PolarHBondContact O-N 3.18Å
207	D	85.5	Confident	89	Confident	35 Å²	35	51.4 Å²	51.4	19%	0.187	29%	0.286	C	S	.	.			trans	-81.6	118.6	170.5	-167.9	-62.9	0	0	0	109.8	K201 V209 Q210 S211	K201-D207 HydrophobicContact CD-CB 4.41Å; K201-D207 IonicContact NZ-OD2 2.88Å; K201-D207 PolarHBondContact NZ-OD2 2.99Å; D207-V209 VanDerWaalsContact C-N 3.33Å; D207-V209 PolarHBondContact O-N 3.34Å; D207-V209 WeakPolarHBondContact OD1-CB 3.4Å; D207-V209 PolarHBondContact OD1-N 3.42Å; D207-Q210 HydrophobicContact CB-CB 3.97Å; D207-Q210 HydrophobicContact CB-CG 3.88Å; D207-Q210 PolarHBondContact O-N 3.32Å; D207-Q210 PolarHBondContact OD1-N 3.09Å; D207-S211 VanDerWaalsContact O-CB 3.26Å; D207-S211 WeakPolarHBondContact O-CB 3.45Å; D207-S211 PolarHBondContact O-N 2.51Å; D207-S211 PolarHBondContact O-OG 3.36Å
208	R	82.6	Confident	89.2	Confident	40 Å²	40	50.1 Å²	50.1	15%	0.151	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-43.3	-178.6	-178.8	-172.4	72.5	64.7	4	112.2	D197 F200 K206 S211 G212 S213	D197-R208 IonicContact OD1-CZ 3.31Å; D197-R208 IonicContact OD1-NE 2.69Å; D197-R208 PolarHBondContact OD1-NE 3.03Å; D197-R208 IonicContact OD1-NH2 3.19Å; D197-R208 PolarHBondContact OD1-NH2 3Å; D197-R208 IonicContact OD2-CZ 3.31Å; D197-R208 IonicContact OD2-NE 3.97Å; D197-R208 IonicContact OD2-NH2 3.59Å; D197-R208 PolarHBondContact OD2-NH2 3.38Å; F200-R208 HydrophobicContact CD1-CB 4.36Å; K206-R208 PolarHBondContact O-N 3.18Å; R208-S211 WeakPolarHBondContact CA-OG 3.26Å; R208-S211 CarbonylContact O-C 3.56Å; R208-S211 PolarHBondContact O-N 2.84Å; R208-S211 PolarHBondContact O-OG 3.04Å; R208-S211 VanDerWaalsContact O-OG 3.07Å; R208-G212 PolarHBondContact O-N 3.38Å; R208-G212 VanDerWaalsContact O-N 3.08Å; R208-S213 WeakPolarHBondContact CD-O 3.18Å; R208-S213 WeakPolarHBondContact CG-O 3.49Å; R208-S213 PolarHBondContact NH1-O 3.37Å; R208-S213 PolarHBondContact O-N 2.98Å
209	V	76.7	Confident	89.3	Confident	99 Å²	99	48.8 Å²	48.8	60%	0.6	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-45.3	-176.2	178.8	0	0	0	0	109.4	D207 S211 G212	D207-V209 VanDerWaalsContact C-N 3.33Å; D207-V209 PolarHBondContact O-N 3.34Å; D207-V209 WeakPolarHBondContact OD1-CB 3.4Å; D207-V209 PolarHBondContact OD1-N 3.42Å; V209-S211 VanDerWaalsContact C-N 3.31Å; V209-S211 PolarHBondContact O-N 3.21Å; V209-G212 PolarHBondContact O-N 3.13Å
210	Q	75.6	Confident	89.4	Confident	161 Å²	161	48.2 Å²	48.2	75%	0.752	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-35.4	177.3	-60.7	178	2.8	0	0	112.3	D207 G212	D207-Q210 HydrophobicContact CB-CB 3.97Å; D207-Q210 HydrophobicContact CB-CG 3.88Å; D207-Q210 PolarHBondContact O-N 3.32Å; D207-Q210 PolarHBondContact OD1-N 3.09Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.14Å
211	S	72.3	Confident	89.5	Confident	34 Å²	34	48.1 Å²	48.1	24%	0.238	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.9	177.7	64.4	0	0	0	0	114.5	D207 R208 V209 S213 R278	D207-S211 VanDerWaalsContact O-CB 3.26Å; D207-S211 WeakPolarHBondContact O-CB 3.45Å; D207-S211 PolarHBondContact O-N 2.51Å; D207-S211 PolarHBondContact O-OG 3.36Å; R208-S211 WeakPolarHBondContact CA-OG 3.26Å; R208-S211 CarbonylContact O-C 3.56Å; R208-S211 PolarHBondContact O-N 2.84Å; R208-S211 PolarHBondContact O-OG 3.04Å; R208-S211 VanDerWaalsContact O-OG 3.07Å; V209-S211 VanDerWaalsContact C-N 3.31Å; V209-S211 PolarHBondContact O-N 3.21Å; S211-S213 PolarHBondContact O-N 3.42Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S213 PolarHBondContact OG-OG 2.96Å; S211-R278 PolarHBondContact O-NH2 2.77Å
212	G	77.9	Confident	89.6	Confident	19 Å²	19	43.9 Å²	43.9	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	21.7	177	0	0	0	0	0	115.2	R208 V209 Q210 Y274 G275	R208-G212 PolarHBondContact O-N 3.38Å; R208-G212 VanDerWaalsContact O-N 3.08Å; V209-G212 PolarHBondContact O-N 3.13Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.14Å; G212-Y274 CarbonylContact O-C 3.56Å; G212-Y274 WeakPolarHBondContact O-CA 3.46Å; G212-G275 PolarHBondContact O-N 2.97Å
213	S	82.9	Confident	89.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	21%	0.21	C	C	.	.			trans	-103.8	170.4	-173.7	58.7	0	0	0	0	112.9	R208 S211 G276	R208-S213 WeakPolarHBondContact CD-O 3.18Å; R208-S213 WeakPolarHBondContact CG-O 3.49Å; R208-S213 PolarHBondContact NH1-O 3.37Å; R208-S213 PolarHBondContact O-N 2.98Å; S211-S213 PolarHBondContact O-N 3.42Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-S213 PolarHBondContact OG-OG 2.96Å; S213-G276 CarbonylContact C-O 3.16Å; S213-G276 WeakPolarHBondContact CA-O 3.29Å; S213-G276 WeakPolarHBondContact CB-O 3.4Å
214	Y	85.8	Confident	89.8	Confident	101 Å²	101	35.3 Å²	35.3	40%	0.396	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-123	141.5	174.2	-73.3	-86	0	0	0	110.5	G276 H277	Y214-G276 PolarHBondContact N-O 2.91Å; Y214-H277 WeakPolarHBondContact O-CA 3.19Å; Y214-H277 PolarHBondContact O-ND1 3.21Å
215	L	93.2	Very high	90.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	19%	0.189	C	C	.	.			trans	-69.8	145	168.7	-55.6	176.4	0	0	0	109.3	W155 C196 F200 W219 F220 H277 E282	W155-L215 VanDerWaalsContact CH2-O 3.26Å; W155-L215 WeakPolarHBondContact CH2-O 2.84Å; C196-L215 HydrophobicContact CB-CD1 4.26Å; F200-L215 HydrophobicContact CB-CD1 4.4Å; F200-L215 HydrophobicContact CB-CD2 3.78Å; F200-L215 HydrophobicContact CD1-CD2 4.11Å; F200-L215 HydrophobicContact CD2-CD2 3.37Å; F200-L215 HydrophobicContact CE2-CD2 3.92Å; F200-L215 HydrophobicContact CG-CD2 3.48Å; F200-L215 VanDerWaalsContact CG-CD2 3.48Å; F200-L215 HydrophobicContact CZ-CD2 4.5Å; L215-W219 HydrophobicContact CB-CB 3.99Å; L215-W219 HydrophobicContact CB-CG 4.02Å; L215-W219 HydrophobicContact CD1-CG 4Å; L215-W219 HydrophobicContact CD2-CD2 4.39Å; L215-W219 HydrophobicContact CD2-CG 4.3Å; L215-W219 HydrophobicContact CG-CG 4.29Å; L215-F220 HydrophobicContact CB-CD2 4.45Å; L215-F220 HydrophobicContact CB-CE2 3.67Å; L215-F220 HydrophobicContact CB-CZ 4.02Å; L215-F220 HydrophobicContact CD1-CE2 4.49Å; L215-F220 HydrophobicContact CD1-CZ 4.03Å; L215-H277 PolarHBondContact O-CE1 2.91Å; L215-H277 PolarHBondContact O-ND1 3.5Å; L215-E282 WeakPolarHBondContact CA-OE1 3.15Å
216	S	96.5	Very high	90.2	Very high	10 Å²	10	32.5 Å²	32.5	7%	0.07	17%	0.166	C	C	.	.			trans	-72.3	164.1	175	81.5	0	0	0	0	111.9	G218 W219 F220 E282	S216-G218 PolarHBondContact O-N 3.05Å; S216-G218 WeakPolarHBondContact OG-CA 3.36Å; S216-G218 PolarHBondContact OG-N 3.45Å; S216-G218 VanDerWaalsContact OG-N 3.07Å; S216-W219 WeakPolarHBondContact O-CB 3.29Å; S216-W219 PolarHBondContact O-N 2.88Å; S216-W219 VanDerWaalsContact O-N 3.16Å; S216-W219 PolarHBondContact OG-N 3.3Å; S216-F220 WeakPolarHBondContact O-CD2 3.25Å; S216-E282 WeakPolarHBondContact CB-OE2 3.48Å; S216-E282 PolarHBondContact N-OE1 3.37Å; S216-E282 PolarHBondContact OG-OE2 3.48Å
217	T	98.2	Very high	90.7	Very high	12 Å²	12	30.3 Å²	30.3	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-28.5	168.6	-57	0	0	0	0	111.6	M107 N108 V127 W155 W219 F220 T221	M107-T217 HydrophobicContact CB-CG2 3.86Å; M107-T217 HydrophobicContact CG-CG2 3.98Å; M107-T217 HydrophobicContact SD-CG2 4.2Å; N108-T217 PolarHBondContact ND2-OG1 3.49Å; N108-T217 PolarHBondContact OD1-OG1 3.33Å; V127-T217 HydrophobicContact CB-CG2 4.2Å; V127-T217 HydrophobicContact CG1-CG2 3.97Å; V127-T217 WeakPolarHBondContact O-CG2 3.28Å; W155-T217 PolarHBondContact NE1-OG1 3.26Å; T217-W219 VanDerWaalsContact C-N 3.32Å; T217-W219 PolarHBondContact O-N 3.46Å; T217-F220 PolarHBondContact O-N 3.49Å; T217-T221 WeakPolarHBondContact O-CB 3.39Å; T217-T221 PolarHBondContact O-N 3.43Å; T217-T221 PolarHBondContact O-OG1 3.06Å
218	G	98	Very high	91.2	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-42.6	173.8	0	0	0	0	0	111.9	S216 T221 F222	S216-G218 PolarHBondContact O-N 3.05Å; S216-G218 WeakPolarHBondContact OG-CA 3.36Å; S216-G218 PolarHBondContact OG-N 3.45Å; S216-G218 VanDerWaalsContact OG-N 3.07Å; G218-T221 PolarHBondContact O-N 2.78Å; G218-F222 VanDerWaalsContact O-CD2 3.29Å; G218-F222 WeakPolarHBondContact O-CD2 3.43Å; G218-F222 PolarHBondContact O-N 2.79Å
219	W	97.9	Very high	91.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-53	176.5	-172.4	-92.1	0	0	0	112.8	C196 V199 F200 L215 S216 T217 T221 F222 I223 E282 V285 F286 W289	C196-W219 PolarHBondContact O-NE1 2.89Å; V199-W219 HydrophobicContact CB-CZ2 4.29Å; V199-W219 HydrophobicContact CG1-CZ2 3.86Å; F200-W219 HydrophobicContact CB-CH2 4.1Å; F200-W219 HydrophobicContact CB-CZ2 3.55Å; F200-W219 HydrophobicContact CD2-CD2 4.42Å; F200-W219 HydrophobicContact CD2-CE3 4.26Å; F200-W219 AromaticContact CD2-CH2 3.75Å; F200-W219 HydrophobicContact CD2-CH2 3.75Å; F200-W219 AromaticContact CD2-CZ2 3.94Å; F200-W219 HydrophobicContact CD2-CZ2 3.94Å; F200-W219 AromaticContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CG-CH2 4.39Å; F200-W219 HydrophobicContact CG-CZ2 4.26Å; L215-W219 HydrophobicContact CB-CB 3.99Å; L215-W219 HydrophobicContact CB-CG 4.02Å; L215-W219 HydrophobicContact CD1-CG 4Å; L215-W219 HydrophobicContact CD2-CD2 4.39Å; L215-W219 HydrophobicContact CD2-CG 4.3Å; L215-W219 HydrophobicContact CG-CG 4.29Å; S216-W219 WeakPolarHBondContact O-CB 3.29Å; S216-W219 PolarHBondContact O-N 2.88Å; S216-W219 VanDerWaalsContact O-N 3.16Å; S216-W219 PolarHBondContact OG-N 3.3Å; T217-W219 VanDerWaalsContact C-N 3.32Å; T217-W219 PolarHBondContact O-N 3.46Å; W219-T221 VanDerWaalsContact C-N 3.27Å; W219-T221 PolarHBondContact O-N 2.74Å; W219-F222 PolarHBondContact O-N 2.86Å; W219-I223 HydrophobicContact CZ2-CD1 4.49Å; W219-I223 PolarHBondContact O-N 3.15Å; W219-I223 VanDerWaalsContact O-N 3.08Å; W219-E282 HydrophobicContact CD2-CG 4.47Å; W219-E282 HydrophobicContact CE3-CB 4.02Å; W219-E282 HydrophobicContact CE3-CG 3.65Å; W219-E282 HydrophobicContact CZ3-CB 4.38Å; W219-E282 HydrophobicContact CZ3-CG 4.17Å; W219-V285 HydrophobicContact CH2-CB 4.25Å; W219-V285 HydrophobicContact CH2-CG1 3.8Å; W219-V285 HydrophobicContact CH2-CG2 4.39Å; W219-V285 HydrophobicContact CZ3-CB 3.91Å; W219-V285 HydrophobicContact CZ3-CG1 3.85Å; W219-V285 HydrophobicContact CZ3-CG2 4.26Å; W219-F286 HydrophobicContact CB-CZ 4.45Å; W219-F286 HydrophobicContact CD2-CE1 4.36Å; W219-F286 HydrophobicContact CE3-CD1 4.46Å; W219-F286 AromaticContact CE3-CE1 3.48Å; W219-F286 HydrophobicContact CE3-CE1 3.48Å; W219-F286 VanDerWaalsContact CE3-CE1 3.48Å; W219-F286 AromaticContact CE3-CZ 3.93Å; W219-F286 HydrophobicContact CE3-CZ 3.93Å; W219-F286 AromaticContact CZ3-CE1 3.93Å; W219-F286 HydrophobicContact CZ3-CE1 3.93Å; W219-W289 HydrophobicContact CD2-CH2 4.37Å; W219-W289 HydrophobicContact CE3-CH2 4.21Å; W219-W289 AromaticContact CH2-CH2 3.66Å; W219-W289 HydrophobicContact CH2-CH2 3.66Å; W219-W289 AromaticContact CH2-CZ2 3.79Å; W219-W289 HydrophobicContact CH2-CZ2 3.79Å; W219-W289 AromaticContact CZ2-CH2 3.8Å; W219-W289 HydrophobicContact CZ2-CH2 3.8Å; W219-W289 HydrophobicContact CZ2-CZ2 4.07Å; W219-W289 AromaticContact CZ3-CH2 3.88Å; W219-W289 HydrophobicContact CZ3-CH2 3.88Å; W219-W289 HydrophobicContact CZ3-CZ2 4.31Å
220	F	98.4	Very high	92.7	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.039	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-35.9	177.9	-65.7	-77.3	0	0	0	112.2	V127 W155 M193 C196 L215 S216 T217 L224	V127-F220 HydrophobicContact CG1-CB 4.33Å; W155-F220 HydrophobicContact CB-CD1 4.33Å; W155-F220 HydrophobicContact CB-CG 4.27Å; W155-F220 AromaticContact CD1-CD2 3.98Å; W155-F220 AromaticContact CD2-CD2 3.35Å; W155-F220 HydrophobicContact CD2-CD2 3.35Å; W155-F220 AromaticContact CD2-CE2 3.39Å; W155-F220 HydrophobicContact CD2-CE2 3.39Å; W155-F220 AromaticContact CD2-CG 3.99Å; W155-F220 HydrophobicContact CD2-CG 3.99Å; W155-F220 HydrophobicContact CD2-CZ 4.05Å; W155-F220 AromaticContact CE2-CD2 3.42Å; W155-F220 VanDerWaalsContact CE2-CD2 3.42Å; W155-F220 AromaticContact CE2-CE2 3.69Å; W155-F220 AromaticContact CE3-CD2 3.74Å; W155-F220 HydrophobicContact CE3-CD2 3.74Å; W155-F220 HydrophobicContact CE3-CE1 4.38Å; W155-F220 AromaticContact CE3-CE2 3.21Å; W155-F220 HydrophobicContact CE3-CE2 3.21Å; W155-F220 AromaticContact CE3-CZ 3.6Å; W155-F220 HydrophobicContact CE3-CZ 3.6Å; W155-F220 HydrophobicContact CG-CB 4.31Å; W155-F220 HydrophobicContact CG-CD1 4.37Å; W155-F220 AromaticContact CG-CD2 3.72Å; W155-F220 HydrophobicContact CG-CD2 3.72Å; W155-F220 HydrophobicContact CG-CE2 4.14Å; W155-F220 AromaticContact CG-CG 3.87Å; W155-F220 HydrophobicContact CG-CG 3.87Å; W155-F220 HydrophobicContact CH2-CD2 4.16Å; W155-F220 AromaticContact CH2-CE2 3.64Å; W155-F220 HydrophobicContact CH2-CE2 3.64Å; W155-F220 AromaticContact CZ2-CD2 3.84Å; W155-F220 HydrophobicContact CZ2-CD2 3.84Å; W155-F220 AromaticContact CZ2-CE2 3.82Å; W155-F220 HydrophobicContact CZ2-CE2 3.82Å; W155-F220 HydrophobicContact CZ3-CD2 4.12Å; W155-F220 AromaticContact CZ3-CE2 3.34Å; W155-F220 HydrophobicContact CZ3-CE2 3.34Å; W155-F220 AromaticContact CZ3-CZ 3.91Å; W155-F220 HydrophobicContact CZ3-CZ 3.91Å; W155-F220 AromaticContact NE1-CD2 3.8Å; M193-F220 HydrophobicContact CE-CE1 3.73Å; M193-F220 HydrophobicContact CE-CZ 3.58Å; M193-F220 HydrophobicContact SD-CD1 4.31Å; M193-F220 HydrophobicContact SD-CE1 3.57Å; M193-F220 VanDerWaalsContact SD-CE1 3.57Å; M193-F220 HydrophobicContact SD-CZ 4.04Å; C196-F220 HydrophobicContact CB-CD1 4.05Å; C196-F220 HydrophobicContact CB-CE1 3.66Å; L215-F220 HydrophobicContact CB-CD2 4.45Å; L215-F220 HydrophobicContact CB-CE2 3.67Å; L215-F220 HydrophobicContact CB-CZ 4.02Å; L215-F220 HydrophobicContact CD1-CE2 4.49Å; L215-F220 HydrophobicContact CD1-CZ 4.03Å; S216-F220 WeakPolarHBondContact O-CD2 3.25Å; T217-F220 PolarHBondContact O-N 3.49Å; F220-L224 PolarHBondContact O-N 2.88Å
221	T	98.6	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-45.1	176.9	-54.7	0	0	0	0	111.2	V82 W105 M107 V127 T217 G218 W219 L224 A225	V82-T221 HydrophobicContact CG1-CG2 4.15Å; W105-T221 HydrophobicContact CE3-CG2 4.15Å; M107-T221 HydrophobicContact CE-CG2 3.82Å; V127-T221 WeakPolarHBondContact CB-OG1 3.35Å; V127-T221 HydrophobicContact CG2-CG2 4.04Å; T217-T221 WeakPolarHBondContact O-CB 3.39Å; T217-T221 PolarHBondContact O-N 3.43Å; T217-T221 PolarHBondContact O-OG1 3.06Å; G218-T221 PolarHBondContact O-N 2.78Å; W219-T221 VanDerWaalsContact C-N 3.27Å; W219-T221 PolarHBondContact O-N 2.74Å; T221-L224 PolarHBondContact O-N 3.13Å; T221-A225 WeakPolarHBondContact O-CB 3.41Å; T221-A225 PolarHBondContact O-N 3.33Å
222	F	97.9	Very high	94.9	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-42.1	-178.7	-91.5	-120	0	0	0	112.1	V82 G218 W219 L224 A225 M226 V234 M237 F286 W289 I295 F297	V82-F222 HydrophobicContact CG1-CE2 4.19Å; G218-F222 VanDerWaalsContact O-CD2 3.29Å; G218-F222 WeakPolarHBondContact O-CD2 3.43Å; G218-F222 PolarHBondContact O-N 2.79Å; W219-F222 PolarHBondContact O-N 2.86Å; F222-L224 VanDerWaalsContact C-N 3.35Å; F222-L224 PolarHBondContact O-N 3.48Å; F222-A225 PolarHBondContact O-N 3.42Å; F222-M226 WeakPolarHBondContact O-CB 3.42Å; F222-M226 VanDerWaalsContact O-CG 3.25Å; F222-M226 WeakPolarHBondContact O-CG 3.15Å; F222-M226 PolarHBondContact O-N 3.43Å; F222-V234 HydrophobicContact CE1-CG2 4.09Å; F222-V234 HydrophobicContact CE2-CG1 4.36Å; F222-V234 HydrophobicContact CE2-CG2 4.28Å; F222-V234 HydrophobicContact CZ-CB 4.35Å; F222-V234 HydrophobicContact CZ-CG1 3.95Å; F222-V234 HydrophobicContact CZ-CG2 3.47Å; F222-V234 VanDerWaalsContact CZ-CG2 3.47Å; F222-M237 HydrophobicContact CE2-CE 3.78Å; F222-M237 HydrophobicContact CZ-CE 4.09Å; F222-M237 HydrophobicContact CZ-SD 4.38Å; F222-F286 HydrophobicContact CB-CE1 4.22Å; F222-F286 HydrophobicContact CD1-CD1 4.02Å; F222-F286 HydrophobicContact CD1-CE1 4.34Å; F222-F286 HydrophobicContact CD1-CG 4.19Å; F222-F286 HydrophobicContact CE1-CB 4.34Å; F222-F286 HydrophobicContact CE1-CD1 4.49Å; F222-F286 HydrophobicContact CE1-CD2 4.44Å; F222-F286 HydrophobicContact CE1-CG 4.19Å; F222-F286 HydrophobicContact CG-CD1 4.37Å; F222-F286 HydrophobicContact CG-CE1 4.22Å; F222-F286 HydrophobicContact CG-CZ 4.44Å; F222-W289 HydrophobicContact CB-CE3 4.42Å; F222-W289 HydrophobicContact CB-CZ3 3.92Å; F222-W289 HydrophobicContact CD1-CE3 4.32Å; F222-I295 HydrophobicContact CE1-CG2 4.2Å; F222-F297 AromaticContact CE1-CE1 3.97Å; F222-F297 HydrophobicContact CE1-CE1 3.97Å; F222-F297 AromaticContact CE1-CZ 3.6Å; F222-F297 HydrophobicContact CE1-CZ 3.6Å; F222-F297 AromaticContact CZ-CE1 3.7Å; F222-F297 HydrophobicContact CZ-CE1 3.7Å; F222-F297 AromaticContact CZ-CZ 3.85Å; F222-F297 HydrophobicContact CZ-CZ 3.85Å
223	I	98	Very high	95.9	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-50.1	175.9	-75.3	-179.5	0	0	0	110.5	Y195 C196 V199 W219 M226 D227 W289	Y195-I223 HydrophobicContact CE1-CG2 4.17Å; C196-I223 HydrophobicContact CB-CD1 3.87Å; V199-I223 HydrophobicContact CB-CD1 4.3Å; V199-I223 HydrophobicContact CG1-CD1 4.35Å; W219-I223 HydrophobicContact CZ2-CD1 4.49Å; W219-I223 PolarHBondContact O-N 3.15Å; W219-I223 VanDerWaalsContact O-N 3.08Å; I223-M226 HydrophobicContact CG1-CE 4.48Å; I223-M226 PolarHBondContact O-N 3.47Å; I223-D227 VanDerWaalsContact O-CG 3.25Å; I223-D227 PolarHBondContact O-N 3.07Å; I223-W289 HydrophobicContact CG1-CH2 4.08Å
224	L	98.3	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-41.2	178.6	176.7	52	0	0	0	112.7	Y64 L73 W105 V153 F220 T221 F222 M226 D227 A228	Y64-L224 HydrophobicContact CD2-CD1 4.14Å; Y64-L224 HydrophobicContact CE1-CD2 4.15Å; Y64-L224 HydrophobicContact CE2-CD1 3.55Å; Y64-L224 HydrophobicContact CE2-CD2 4.4Å; Y64-L224 HydrophobicContact CE2-CG 4.36Å; Y64-L224 WeakPolarHBondContact OH-CB 3.44Å; L73-L224 HydrophobicContact CD2-CD1 4.33Å; L73-L224 HydrophobicContact CD2-CD2 4.31Å; W105-L224 HydrophobicContact CH2-CD1 4.45Å; W105-L224 HydrophobicContact CH2-CD2 4.04Å; W105-L224 HydrophobicContact CH2-CG 3.67Å; W105-L224 HydrophobicContact CZ3-CB 4.32Å; W105-L224 HydrophobicContact CZ3-CD2 3.75Å; W105-L224 HydrophobicContact CZ3-CG 3.69Å; V153-L224 HydrophobicContact CB-CD2 4.38Å; V153-L224 HydrophobicContact CG1-CD2 4.07Å; V153-L224 HydrophobicContact CG2-CD2 4.01Å; F220-L224 PolarHBondContact O-N 2.88Å; T221-L224 PolarHBondContact O-N 3.13Å; F222-L224 VanDerWaalsContact C-N 3.35Å; F222-L224 PolarHBondContact O-N 3.48Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.1Å; L224-D227 WeakPolarHBondContact O-CB 3.48Å; L224-D227 PolarHBondContact O-N 2.94Å; L224-D227 VanDerWaalsContact O-N 3.15Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.28Å
225	A	97.8	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.4	-37.4	178.1	0	0	0	0	0	111.4	V82 T221 F222 D227 A228 C229 I232	V82-A225 HydrophobicContact CG2-CB 4.46Å; T221-A225 WeakPolarHBondContact O-CB 3.41Å; T221-A225 PolarHBondContact O-N 3.33Å; F222-A225 PolarHBondContact O-N 3.42Å; A225-D227 VanDerWaalsContact C-N 3.31Å; A225-D227 PolarHBondContact O-N 2.91Å; A225-A228 PolarHBondContact O-N 3.03Å; A225-C229 WeakPolarHBondContact O-CA 3.4Å; A225-C229 WeakPolarHBondContact O-CB 3.49Å; A225-C229 PolarHBondContact O-N 3.42Å; A225-C229 PolarHBondContact O-SG 2.91Å; A225-I232 HydrophobicContact CB-CD1 3.76Å; A225-I232 HydrophobicContact CB-CG1 4.44Å
226	M	96.8	Very high	97.5	Very high	46 Å²	46	17.4 Å²	17.4	23%	0.227	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-30.6	174.5	-73.1	-173.8	-60.8	0	0	112.9	F222 I223 L224 I232 W289 I295	F222-M226 WeakPolarHBondContact O-CB 3.42Å; F222-M226 VanDerWaalsContact O-CG 3.25Å; F222-M226 WeakPolarHBondContact O-CG 3.15Å; F222-M226 PolarHBondContact O-N 3.43Å; I223-M226 HydrophobicContact CG1-CE 4.48Å; I223-M226 PolarHBondContact O-N 3.47Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.1Å; M226-I232 HydrophobicContact CG-CD1 3.91Å; M226-W289 HydrophobicContact CE-CD2 3.78Å; M226-W289 HydrophobicContact CE-CE3 3.36Å; M226-W289 HydrophobicContact CE-CH2 3.87Å; M226-W289 HydrophobicContact CE-CZ2 4.23Å; M226-W289 HydrophobicContact CE-CZ3 3.41Å; M226-W289 VanDerWaalsContact CE-CZ3 3.41Å; M226-W289 HydrophobicContact SD-CB 4.35Å; M226-W289 HydrophobicContact SD-CD2 4.04Å; M226-W289 HydrophobicContact SD-CE3 3.83Å; M226-W289 HydrophobicContact SD-CG 4.3Å; M226-W289 HydrophobicContact SD-CZ3 4.46Å; M226-I295 HydrophobicContact CG-CD1 4.25Å; M226-I295 HydrophobicContact SD-CD1 4.1Å
227	D	95.3	Very high	97.6	Very high	52 Å²	52	17.5 Å²	17.5	28%	0.278	9%	0.087	S	C	.	.	H	α-helix	trans	-71.7	-32.5	173.1	-55	-41.6	0	0	0	112.2	R192 I223 L224 A225	R192-D227 IonicContact CZ-OD2 2.78Å; R192-D227 VanDerWaalsContact NH2-CG 3.26Å; R192-D227 IonicContact NH2-OD1 3.52Å; R192-D227 PolarHBondContact NH2-OD1 3.49Å; R192-D227 IonicContact NH2-OD2 2.74Å; R192-D227 PolarHBondContact NH2-OD2 2.99Å; I223-D227 VanDerWaalsContact O-CG 3.25Å; I223-D227 PolarHBondContact O-N 3.07Å; L224-D227 WeakPolarHBondContact O-CB 3.48Å; L224-D227 PolarHBondContact O-N 2.94Å; L224-D227 VanDerWaalsContact O-N 3.15Å; A225-D227 VanDerWaalsContact C-N 3.31Å; A225-D227 PolarHBondContact O-N 2.91Å
228	A	95.7	Very high	97.6	Very high	3 Å²	3	17 Å²	17	3%	0.025	8%	0.083	C	C	.	.	H	α-helix	trans	-106.9	-17.5	-165.2	0	0	0	0	0	114.8	L75 C77 W105 L224 A225	L75-A228 HydrophobicContact CD2-CB 3.86Å; L75-A228 HydrophobicContact CG-CB 4.14Å; C77-A228 WeakPolarHBondContact CB-O 3.34Å; C77-A228 PolarHBondContact N-O 3.49Å; C77-A228 VanDerWaalsContact O-O 3.07Å; W105-A228 HydrophobicContact CH2-CB 4.28Å; W105-A228 HydrophobicContact CZ2-CB 4.18Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.28Å; A225-A228 PolarHBondContact O-N 3.03Å
229	C	96.1	Very high	97.5	Very high	17 Å²	17	18 Å²	18	12%	0.115	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.4	-171.5	-56.3	0	0	0	0	112	C77 C80 A225 I232	C77-C229 VanDerWaalsContact O-CA 3.32Å; C77-C229 WeakPolarHBondContact O-CA 3.45Å; C80-C229 HydrophobicContact CB-CB 3.79Å; C80-C229 WeakPolarHBondContact CB-SG 3.41Å; C80-C229 WeakPolarHBondContact SG-CB 3.45Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 3.49Å; A225-C229 WeakPolarHBondContact O-CA 3.4Å; A225-C229 WeakPolarHBondContact O-CB 3.49Å; A225-C229 PolarHBondContact O-N 3.42Å; A225-C229 PolarHBondContact O-SG 2.91Å; C229-I232 HydrophobicContact CB-CD1 4.43Å; C229-I232 HydrophobicContact CB-CG1 3.8Å
230	Y	94.6	Very high	97.4	Very high	118 Å²	118	21 Å²	21	46%	0.463	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-35.8	168.7	174.2	-98.1	0	0	0	112.7	C77 N78 R294	C77-Y230 PolarHBondContact O-N 3.31Å; N78-Y230 WeakPolarHBondContact O-CB 3.47Å; N78-Y230 PolarHBondContact O-N 2.85Å; N78-Y230 VanDerWaalsContact O-N 3.09Å; Y230-R294 PolarHBondContact OH-NH1 2.84Å; Y230-R294 PolarHBondContact OH-NH2 2.66Å; Y230-R294 VanDerWaalsContact OH-NH2 3.14Å
231	S	97.1	Very high	97.2	Very high	22 Å²	22	23.8 Å²	23.8	15%	0.154	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.9	175.1	60.5	0	0	0	0	111.3	N78 H79 C80 R294	N78-S231 PolarHBondContact O-N 3.24Å; H79-S231 PolarHBondContact CD2-OG 3.39Å; C80-S231 PolarHBondContact N-O 2.77Å; S231-R294 WeakPolarHBondContact CA-O 3.48Å
232	I	98.4	Very high	97.1	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.1	-174.3	-53.4	173.2	0	0	0	108.7	V82 A225 M226 C229 V234 R294 I295 V296	V82-I232 HydrophobicContact CB-CG2 4.35Å; V82-I232 HydrophobicContact CG2-CG2 3.63Å; A225-I232 HydrophobicContact CB-CD1 3.76Å; A225-I232 HydrophobicContact CB-CG1 4.44Å; M226-I232 HydrophobicContact CG-CD1 3.91Å; C229-I232 HydrophobicContact CB-CD1 4.43Å; C229-I232 HydrophobicContact CB-CG1 3.8Å; I232-V234 HydrophobicContact CG2-CG2 3.87Å; I232-R294 PolarHBondContact N-O 3.5Å; I232-I295 HydrophobicContact CB-CG1 4.27Å; I232-I295 HydrophobicContact CB-CG2 4.28Å; I232-I295 HydrophobicContact CD1-CD1 4.41Å; I232-I295 HydrophobicContact CD1-CG1 4.25Å; I232-I295 HydrophobicContact CG2-CG2 4.4Å; I232-I295 CarbonylContact O-C 3.47Å; I232-I295 VanDerWaalsContact O-CA 3.28Å; I232-I295 WeakPolarHBondContact O-CA 3.48Å; I232-V296 PolarHBondContact O-N 3.36Å
233	H	98.6	Very high	97	Very high	48 Å²	48	26 Å²	26	22%	0.222	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	170	-165.5	-179.4	0	0	0	108.7	C80 A81 V82 E97 Y235 V296 T298	C80-H233 PolarHBondContact O-N 3.2Å; A81-H233 CarbonylContact C-O 3.53Å; A81-H233 WeakPolarHBondContact CA-O 3.24Å; V82-H233 PolarHBondContact N-O 2.93Å; E97-H233 IonicContact OE1-CE1 3.53Å; E97-H233 PolarHBondContact OE1-CE1 2.86Å; E97-H233 IonicContact OE1-ND1 2.55Å; H233-Y235 HydrophobicContact CB-CE2 4.02Å; H233-Y235 AromaticContact CE1-CE1 3.81Å; H233-Y235 AromaticContact CE1-CZ 3.45Å; H233-Y235 VanDerWaalsContact CE1-CZ 3.45Å; H233-Y235 PolarHBondContact CE1-OH 3.35Å; H233-Y235 AromaticContact CG-CE2 3.69Å; H233-Y235 AromaticContact CG-CZ 3.8Å; H233-Y235 AromaticContact ND1-CE2 3.73Å; H233-Y235 AromaticContact ND1-CZ 3.35Å; H233-Y235 PolarHBondContact ND1-OH 2.88Å; H233-Y235 AromaticContact NE2-CZ 3.95Å; H233-V296 CarbonylContact C-O 3.27Å; H233-T298 WeakPolarHBondContact NE2-CG2 3.24Å; H233-T298 PolarHBondContact NE2-OG1 2.77Å
234	V	98.8	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.6	-173.8	-172.4	0	0	0	0	108.9	V82 F222 I232 M237 I295 V296 F297 T298	V82-V234 HydrophobicContact CB-CG2 4.47Å; V82-V234 WeakPolarHBondContact O-CA 3.27Å; F222-V234 HydrophobicContact CE1-CG2 4.09Å; F222-V234 HydrophobicContact CE2-CG1 4.36Å; F222-V234 HydrophobicContact CE2-CG2 4.28Å; F222-V234 HydrophobicContact CZ-CB 4.35Å; F222-V234 HydrophobicContact CZ-CG1 3.95Å; F222-V234 HydrophobicContact CZ-CG2 3.47Å; F222-V234 VanDerWaalsContact CZ-CG2 3.47Å; I232-V234 HydrophobicContact CG2-CG2 3.87Å; V234-M237 HydrophobicContact CG1-CB 3.96Å; V234-M237 HydrophobicContact CG1-CE 4.14Å; V234-M237 HydrophobicContact CG1-SD 4.48Å; V234-I295 HydrophobicContact CG2-CG2 3.79Å; V234-V296 PolarHBondContact N-O 3Å; V234-F297 HydrophobicContact CB-CD1 3.6Å; V234-F297 HydrophobicContact CB-CE1 3.9Å; V234-F297 HydrophobicContact CB-CG 4.15Å; V234-F297 HydrophobicContact CG1-CD1 3.69Å; V234-F297 HydrophobicContact CG1-CE1 3.83Å; V234-F297 HydrophobicContact CG2-CD1 4.01Å; V234-F297 HydrophobicContact CG2-CE1 3.85Å; V234-F297 HydrophobicContact CG2-CG 4.49Å; V234-F297 HydrophobicContact CG2-CZ 4.18Å; V234-F297 WeakPolarHBondContact O-CA 3.47Å; V234-T298 PolarHBondContact O-N 3.49Å
235	Y	98.8	Very high	96.6	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	179.8	-62.5	-98.4	0	0	0	110.1	A81 V82 S84 V94 E97 I98 H233 H299	A81-Y235 HydrophobicContact CB-CD2 4.37Å; A81-Y235 HydrophobicContact CB-CE2 3.88Å; V82-Y235 PolarHBondContact O-N 2.93Å; S84-Y235 WeakPolarHBondContact CB-O 3.33Å; S84-Y235 PolarHBondContact N-O 2.98Å; V94-Y235 HydrophobicContact CG2-CD1 4.07Å; V94-Y235 HydrophobicContact CG2-CE1 4.38Å; E97-Y235 WeakPolarHBondContact OE1-CE1 3.4Å; E97-Y235 PolarHBondContact OE1-OH 3.39Å; I98-Y235 HydrophobicContact CD1-CD1 4.21Å; I98-Y235 HydrophobicContact CD1-CD2 4.46Å; I98-Y235 HydrophobicContact CD1-CG 4.14Å; I98-Y235 HydrophobicContact CG1-CD1 4.03Å; I98-Y235 HydrophobicContact CG1-CD2 3.98Å; I98-Y235 HydrophobicContact CG1-CE1 3.94Å; I98-Y235 HydrophobicContact CG1-CE2 3.9Å; I98-Y235 HydrophobicContact CG1-CG 4.05Å; H233-Y235 HydrophobicContact CB-CE2 4.02Å; H233-Y235 AromaticContact CE1-CE1 3.81Å; H233-Y235 AromaticContact CE1-CZ 3.45Å; H233-Y235 VanDerWaalsContact CE1-CZ 3.45Å; H233-Y235 PolarHBondContact CE1-OH 3.35Å; H233-Y235 AromaticContact CG-CE2 3.69Å; H233-Y235 AromaticContact CG-CZ 3.8Å; H233-Y235 AromaticContact ND1-CE2 3.73Å; H233-Y235 AromaticContact ND1-CZ 3.35Å; H233-Y235 PolarHBondContact ND1-OH 2.88Å; H233-Y235 AromaticContact NE2-CZ 3.95Å; Y235-H299 AromaticContact CD1-ND1 3.78Å
236	G	98	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	76.9	28.2	169.5	0	0	0	0	0	113.8	S84 S86 M89 T298 H299	S84-G236 VanDerWaalsContact CB-C 3.49Å; S84-G236 WeakPolarHBondContact CB-O 3.3Å; S84-G236 PolarHBondContact OG-O 2.96Å; S86-G236 WeakPolarHBondContact CB-O 2.99Å; M89-G236 WeakPolarHBondContact SD-CA 3.44Å; M89-G236 PolarHBondContact SD-N 3.33Å; M89-G236 VanDerWaalsContact SD-N 3.44Å; G236-T298 PolarHBondContact N-O 3.43Å; G236-T298 VanDerWaalsContact N-O 3.12Å; G236-H299 WeakPolarHBondContact CA-O 3.34Å; G236-H299 PolarHBondContact N-O 2.68Å
237	M	98.1	Very high	96.1	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.059	25%	0.254	C	S	.	.			trans	-117.6	125.1	177	-162.8	-179.4	-74.2	0	0	109.3	F222 V234 F286 F297 W302	F222-M237 HydrophobicContact CE2-CE 3.78Å; F222-M237 HydrophobicContact CZ-CE 4.09Å; F222-M237 HydrophobicContact CZ-SD 4.38Å; V234-M237 HydrophobicContact CG1-CB 3.96Å; V234-M237 HydrophobicContact CG1-CE 4.14Å; V234-M237 HydrophobicContact CG1-SD 4.48Å; M237-F286 HydrophobicContact CE-CE2 4.43Å; M237-F286 HydrophobicContact SD-CD2 3.81Å; M237-F286 HydrophobicContact SD-CE2 4.13Å; M237-F297 HydrophobicContact CB-CD1 4.26Å; M237-F297 HydrophobicContact SD-CD1 4.4Å; M237-F297 HydrophobicContact SD-CE1 3.84Å; M237-W302 HydrophobicContact CB-CZ2 4.2Å; M237-W302 HydrophobicContact CG-CZ2 3.83Å; M237-W302 PolarHBondContact O-NE1 2.94Å; M237-W302 HydrophobicContact SD-CH2 4.14Å; M237-W302 HydrophobicContact SD-CZ2 3.97Å
238	I	97.4	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.			trans	-80.3	152.5	172.1	71	177.2	0	0	0	110.9	Q88 Y242 C243 E262 Y266 K283 P300 W302	Q88-I238 HydrophobicContact CG-CG2 3.59Å; I238-Y242 HydrophobicContact CB-CD1 3.86Å; I238-Y242 HydrophobicContact CB-CD2 4.22Å; I238-Y242 HydrophobicContact CB-CG 3.68Å; I238-Y242 HydrophobicContact CD1-CD1 3.86Å; I238-Y242 HydrophobicContact CD1-CG 4.3Å; I238-Y242 HydrophobicContact CG1-CD1 4.45Å; I238-Y242 HydrophobicContact CG1-CG 4.5Å; I238-Y242 HydrophobicContact CG2-CD1 3.68Å; I238-Y242 HydrophobicContact CG2-CD2 4.25Å; I238-Y242 HydrophobicContact CG2-CE1 3.86Å; I238-Y242 HydrophobicContact CG2-CE2 4.42Å; I238-Y242 HydrophobicContact CG2-CG 3.88Å; I238-C243 WeakPolarHBondContact CD1-SG 3.44Å; I238-E262 HydrophobicContact CD1-CG 4.34Å; I238-E262 WeakPolarHBondContact CG2-OE2 3.49Å; I238-Y266 HydrophobicContact CD1-CD2 3.67Å; I238-Y266 HydrophobicContact CD1-CE2 3.63Å; I238-Y266 HydrophobicContact CG1-CD2 4.24Å; I238-Y266 HydrophobicContact CG1-CE2 3.82Å; I238-K283 HydrophobicContact CG1-CD 4.37Å; I238-K283 WeakPolarHBondContact O-CD 3.26Å; I238-K283 WeakPolarHBondContact O-CE 3.49Å; I238-P300 HydrophobicContact CB-CG 4.45Å; I238-P300 HydrophobicContact CG2-CG 4.05Å; I238-W302 VanDerWaalsContact C-CZ2 3.47Å; I238-W302 WeakPolarHBondContact O-CZ2 3.42Å
239	N	96.8	Very high	95.9	Very high	28 Å²	28	51.1 Å²	51.1	15%	0.15	27%	0.271	C	S	.	.			trans	-80.8	179.7	174.9	70.6	13.8	0	0	0	112.2	T241 Y242 W302	N239-T241 VanDerWaalsContact C-N 3.3Å; N239-T241 PolarHBondContact O-N 3.5Å; N239-T241 PolarHBondContact OD1-N 3.2Å; N239-T241 PolarHBondContact OD1-OG1 3.02Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.4Å; N239-Y242 PolarHBondContact OD1-N 3.29Å; N239-W302 HydrophobicContact CB-CD2 3.61Å; N239-W302 HydrophobicContact CB-CE3 4.06Å; N239-W302 HydrophobicContact CB-CG 3.88Å; N239-W302 HydrophobicContact CB-CZ2 4.15Å; N239-W302 HydrophobicContact CB-CZ3 4.49Å
240	E	95.3	Very high	95.9	Very high	63 Å²	63	57.5 Å²	57.5	29%	0.294	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.7	-175.7	75.9	-79.1	-165.1	0	0	114.5	I280 K283 K284	E240-I280 HydrophobicContact CB-CG2 3.9Å; E240-K283 HydrophobicContact CB-CB 4.22Å; E240-K284 HydrophobicContact CB-CB 4.29Å; E240-K284 HydrophobicContact CG-CB 4.24Å
241	T	95.3	Very high	96	Very high	67 Å²	67	52.3 Å²	52.3	41%	0.411	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-5.9	-178.7	58.1	0	0	0	0	113.7	N239 C243 T244 T245	N239-T241 VanDerWaalsContact C-N 3.3Å; N239-T241 PolarHBondContact O-N 3.5Å; N239-T241 PolarHBondContact OD1-N 3.2Å; N239-T241 PolarHBondContact OD1-OG1 3.02Å; T241-C243 PolarHBondContact O-N 3.19Å; T241-T244 PolarHBondContact O-N 3.41Å; T241-T244 VanDerWaalsContact O-N 3.08Å; T241-T244 PolarHBondContact O-OG1 2.85Å; T241-T245 PolarHBondContact O-N 3.34Å; T241-T245 PolarHBondContact O-OG1 3.21Å
242	Y	96.3	Very high	96	Very high	36 Å²	36	53.7 Å²	53.7	14%	0.141	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.5	-48.2	-173.9	-172.5	-91.1	0	0	0	112.1	I238 N239 T244 T245 Y248 R249 P300	I238-Y242 HydrophobicContact CB-CD1 3.86Å; I238-Y242 HydrophobicContact CB-CD2 4.22Å; I238-Y242 HydrophobicContact CB-CG 3.68Å; I238-Y242 HydrophobicContact CD1-CD1 3.86Å; I238-Y242 HydrophobicContact CD1-CG 4.3Å; I238-Y242 HydrophobicContact CG1-CD1 4.45Å; I238-Y242 HydrophobicContact CG1-CG 4.5Å; I238-Y242 HydrophobicContact CG2-CD1 3.68Å; I238-Y242 HydrophobicContact CG2-CD2 4.25Å; I238-Y242 HydrophobicContact CG2-CE1 3.86Å; I238-Y242 HydrophobicContact CG2-CE2 4.42Å; I238-Y242 HydrophobicContact CG2-CG 3.88Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.4Å; N239-Y242 PolarHBondContact OD1-N 3.29Å; Y242-T244 PolarHBondContact O-N 3.14Å; Y242-T244 VanDerWaalsContact O-N 3.14Å; Y242-T245 WeakPolarHBondContact O-CB 3.17Å; Y242-T245 PolarHBondContact O-N 3.39Å; Y242-Y248 HydrophobicContact CD1-CD2 4.41Å; Y242-Y248 HydrophobicContact CD1-CG 4.43Å; Y242-Y248 HydrophobicContact CE1-CD2 4.02Å; Y242-Y248 HydrophobicContact CE1-CG 4.24Å; Y242-Y248 WeakPolarHBondContact O-CB 3.44Å; Y242-R249 PolarHBondContact OH-N 3.38Å; Y242-P300 HydrophobicContact CD2-CG 4.08Å; Y242-P300 HydrophobicContact CE2-CB 4.13Å; Y242-P300 HydrophobicContact CE2-CG 3.84Å
243	C	95.3	Very high	96	Very high	13 Å²	13	55.1 Å²	55.1	9%	0.088	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.5	-10	-177.8	-63.1	0	0	0	0	114.6	I238 T241 Y248 C263	I238-C243 WeakPolarHBondContact CD1-SG 3.44Å; T241-C243 PolarHBondContact O-N 3.19Å; C243-Y248 WeakPolarHBondContact O-CE1 3.42Å; C243-C263 WeakPolarHBondContact CA-SG 3.3Å; C243-C263 HydrophobicContact CB-CB 3.65Å; C243-C263 WeakPolarHBondContact CB-SG 3.43Å; C243-C263 WeakPolarHBondContact SG-CA 3.42Å; C243-C263 WeakPolarHBondContact SG-CB 3.43Å; C243-C263 CovalentContact SG-SG 2.04Å; C243-C263 PolarHBondContact SG-SG 3.5Å
244	T	93.8	Very high	95.9	Very high	116 Å²	116	54.2 Å²	54.2	71%	0.712	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-107.8	-0.4	174.1	61.7	0	0	0	0	112.5	T241 Y242	T241-T244 PolarHBondContact O-N 3.41Å; T241-T244 VanDerWaalsContact O-N 3.08Å; T241-T244 PolarHBondContact O-OG1 2.85Å; Y242-T244 PolarHBondContact O-N 3.14Å; Y242-T244 VanDerWaalsContact O-N 3.14Å
245	T	94.1	Very high	95.9	Very high	72 Å²	72	54.8 Å²	54.8	44%	0.442	29%	0.289	S	S	.	.	S	Bend	trans	-78.3	135.5	178.9	-60.5	0	0	0	0	110.1	T241 Y242 G247 Y248	T241-T245 PolarHBondContact O-N 3.34Å; T241-T245 PolarHBondContact O-OG1 3.21Å; Y242-T245 WeakPolarHBondContact O-CB 3.17Å; Y242-T245 PolarHBondContact O-N 3.39Å; T245-G247 PolarHBondContact O-N 3.43Å; T245-Y248 VanDerWaalsContact O-CD1 3.26Å; T245-Y248 WeakPolarHBondContact O-CD1 3.35Å; T245-Y248 PolarHBondContact O-N 3.32Å
246	E	93.3	Very high	95.7	Very high	195 Å²	195	56.1 Å²	56.1	91%	0.911	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	133.7	178.5	-168.6	176.3	-176.5	0	0	111.3	Y248	E246-Y248 VanDerWaalsContact C-N 3.33Å; E246-Y248 PolarHBondContact O-N 3.44Å
247	G	91.6	Very high	95.3	Very high	78 Å²	78	60.2 Å²	60.2	80%	0.804	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	17.2	176.2	0	0	0	0	0	115.8	T245	T245-G247 PolarHBondContact O-N 3.43Å
248	Y	93.3	Very high	94.5	Very high	58 Å²	58	69.1 Å²	69.1	23%	0.227	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-55.6	144	177.2	73.8	-100.3	0	0	0	112.2	Y242 C243 T245 E246 K250 C263	Y242-Y248 HydrophobicContact CD1-CD2 4.41Å; Y242-Y248 HydrophobicContact CD1-CG 4.43Å; Y242-Y248 HydrophobicContact CE1-CD2 4.02Å; Y242-Y248 HydrophobicContact CE1-CG 4.24Å; Y242-Y248 WeakPolarHBondContact O-CB 3.44Å; C243-Y248 WeakPolarHBondContact O-CE1 3.42Å; T245-Y248 VanDerWaalsContact O-CD1 3.26Å; T245-Y248 WeakPolarHBondContact O-CD1 3.35Å; T245-Y248 PolarHBondContact O-N 3.32Å; E246-Y248 VanDerWaalsContact C-N 3.33Å; E246-Y248 PolarHBondContact O-N 3.44Å; Y248-K250 HydrophobicContact CD2-CG 4.42Å; Y248-K250 HydrophobicContact CE2-CG 3.84Å; Y248-K250 PolarHBondContact O-N 3.33Å; Y248-C263 HydrophobicContact CE2-CB 4.02Å
249	R	93.9	Very high	93.7	Very high	116 Å²	116	71.5 Å²	71.5	44%	0.438	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-69.6	119.2	177.8	-177.5	-172	172.8	-171.3	-4.6	109.8	V90 Y242 V251	V90-R249 PolarHBondContact O-NH2 3.33Å; Y242-R249 PolarHBondContact OH-N 3.38Å; R249-V251 HydrophobicContact CG-CG1 3.91Å
250	K	95.4	Very high	93.4	Very high	151 Å²	151	75.8 Å²	75.8	66%	0.657	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-76.7	130.4	170.4	-65.5	-170.6	-177.6	-176.6	0	110.6	Y248 D261	Y248-K250 HydrophobicContact CD2-CG 4.42Å; Y248-K250 HydrophobicContact CE2-CG 3.84Å; Y248-K250 PolarHBondContact O-N 3.33Å; K250-D261 WeakPolarHBondContact CB-OD2 3.37Å
251	V	96.8	Very high	93.4	Very high	9 Å²	9	74 Å²	74	6%	0.055	39%	0.39	C	S	.	.			trans	-141.4	157.8	179.9	-61.5	0	0	0	0	109.2	Q88 R249 D261 E262	Q88-V251 HydrophobicContact CG-CG2 4.16Å; Q88-V251 VanDerWaalsContact NE2-CG2 3.28Å; R249-V251 HydrophobicContact CG-CG1 3.91Å; V251-D261 WeakPolarHBondContact O-CA 3.46Å; V251-E262 HydrophobicContact CG2-CB 3.91Å; V251-E262 WeakPolarHBondContact CG2-OE2 3.06Å; V251-E262 PolarHBondContact O-N 3.13Å
252	P	97.4	Very high	93.4	Very high	50 Å²	50	71 Å²	71	33%	0.325	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-59	154.2	169.8	-21.4	33.5	0	0	0	111.9	G87 H254 K260	G87-P252 VanDerWaalsContact CA-O 3.22Å; G87-P252 WeakPolarHBondContact CA-O 3.4Å; G87-P252 PolarHBondContact N-O 3.34Å; G87-P252 VanDerWaalsContact N-O 3.16Å; P252-H254 PolarHBondContact O-N 3Å; P252-K260 CarbonylContact C-O 3.58Å; P252-K260 WeakPolarHBondContact CA-O 3.3Å
253	Y	97.2	Very high	93.5	Very high	38 Å²	38	69.3 Å²	69.3	15%	0.149	37%	0.365	C	S	.	.	S	Bend	trans	-56.4	-38	178	-178.8	-116.1	0	0	0	113	S86 K260 E265 Y266 F279	S86-Y253 WeakPolarHBondContact CA-O 3.43Å; Y253-K260 PolarHBondContact N-O 2.78Å; Y253-E265 HydrophobicContact CD1-CG 4.28Å; Y253-E265 HydrophobicContact CD2-CB 3.52Å; Y253-E265 HydrophobicContact CD2-CG 3.73Å; Y253-E265 HydrophobicContact CE1-CG 4.29Å; Y253-E265 HydrophobicContact CE2-CB 3.84Å; Y253-E265 HydrophobicContact CE2-CG 3.68Å; Y253-E265 HydrophobicContact CG-CB 4.03Å; Y253-E265 HydrophobicContact CG-CG 4.02Å; Y253-Y266 HydrophobicContact CD2-CD1 4.35Å; Y253-Y266 HydrophobicContact CD2-CE1 4.09Å; Y253-Y266 AromaticContact CE2-CD1 3.59Å; Y253-Y266 HydrophobicContact CE2-CD1 3.59Å; Y253-Y266 AromaticContact CE2-CE1 3.3Å; Y253-Y266 HydrophobicContact CE2-CE1 3.3Å; Y253-F279 WeakPolarHBondContact OH-CZ 3.47Å
254	H	97.6	Very high	93.5	Very high	30 Å²	30	73.4 Å²	73.4	14%	0.139	39%	0.385	C	S	.	.	S	Bend	trans	-124.6	149.7	171.7	-58.6	139.6	0	0	0	112.9	N85 P252 Y256 E257	N85-H254 WeakPolarHBondContact CB-CD2 3.42Å; N85-H254 CarbonylContact O-C 3.59Å; N85-H254 WeakPolarHBondContact O-CA 3.38Å; N85-H254 WeakPolarHBondContact O-CB 3.34Å; P252-H254 PolarHBondContact O-N 3Å; H254-Y256 HydrophobicContact CB-CD1 4.02Å; H254-Y256 HydrophobicContact CB-CD2 4.49Å; H254-Y256 HydrophobicContact CB-CE1 3.67Å; H254-Y256 HydrophobicContact CB-CE2 4.17Å; H254-Y256 HydrophobicContact CB-CG 4.44Å; H254-Y256 AromaticContact CG-CZ 3.77Å; H254-Y256 AromaticContact ND1-CZ 3.79Å; H254-Y256 PolarHBondContact ND1-OH 2.91Å; H254-Y256 PolarHBondContact O-N 3.13Å; H254-E257 HydrophobicContact CB-CG 4.04Å; H254-E257 IonicContact CE1-OE1 3.17Å; H254-E257 IonicContact CG-OE1 3.49Å; H254-E257 IonicContact ND1-OE1 3.93Å; H254-E257 PolarHBondContact ND1-OE1 3.46Å; H254-E257 IonicContact ND1-OE2 2.74Å
255	Y	97.8	Very high	93.6	Very high	12 Å²	12	69.2 Å²	69.2	5%	0.047	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.3	179.6	63.7	-103.4	0	0	0	114.3	N85 M89 A110 P111 F115 V119	N85-Y255 WeakPolarHBondContact O-CD1 3.49Å; N85-Y255 PolarHBondContact O-N 2.87Å; M89-Y255 HydrophobicContact CB-CD1 4.16Å; M89-Y255 HydrophobicContact CB-CG 4.38Å; M89-Y255 HydrophobicContact CG-CD1 4.39Å; A110-Y255 HydrophobicContact CB-CE1 4.35Å; A110-Y255 WeakPolarHBondContact CB-OH 3.06Å; P111-Y255 WeakPolarHBondContact O-CE2 3.4Å; P111-Y255 PolarHBondContact O-OH 2.62Å; F115-Y255 HydrophobicContact CB-CD2 4.28Å; F115-Y255 HydrophobicContact CB-CE2 4.13Å; F115-Y255 AromaticContact CD1-CD2 3.83Å; F115-Y255 HydrophobicContact CD1-CD2 3.83Å; F115-Y255 HydrophobicContact CD1-CE2 4.41Å; F115-Y255 HydrophobicContact CD2-CD2 4.36Å; F115-Y255 HydrophobicContact CD2-CE2 4.21Å; F115-Y255 HydrophobicContact CE1-CD2 4.27Å; F115-Y255 WeakPolarHBondContact CE1-O 3.47Å; F115-Y255 AromaticContact CG-CD2 3.89Å; F115-Y255 HydrophobicContact CG-CD2 3.89Å; F115-Y255 AromaticContact CG-CE2 3.99Å; F115-Y255 HydrophobicContact CG-CE2 3.99Å; V119-Y255 HydrophobicContact CG1-CD1 4.25Å; V119-Y255 HydrophobicContact CG1-CD2 4.27Å; V119-Y255 HydrophobicContact CG1-CE1 4.07Å; V119-Y255 HydrophobicContact CG1-CE2 4.1Å; V119-Y255 HydrophobicContact CG1-CG 4.35Å; V119-Y255 HydrophobicContact CG2-CE2 4.2Å
256	Y	95.7	Very high	93.7	Very high	35 Å²	35	66.4 Å²	66.4	14%	0.137	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	1.7	-170.3	54.1	-93.9	0	0	0	114.4	N85 A110 P111 F115 H254	N85-Y256 HydrophobicContact CB-CE1 4.04Å; N85-Y256 PolarHBondContact ND2-OH 2.04Å; A110-Y256 HydrophobicContact CB-CD1 4.03Å; A110-Y256 HydrophobicContact CB-CE1 3.44Å; A110-Y256 VanDerWaalsContact CB-CE1 3.44Å; P111-Y256 HydrophobicContact CG-CD1 4.5Å; P111-Y256 HydrophobicContact CG-CD2 4.4Å; P111-Y256 HydrophobicContact CG-CG 3.92Å; F115-Y256 VanDerWaalsContact CZ-CA 3.48Å; H254-Y256 HydrophobicContact CB-CD1 4.02Å; H254-Y256 HydrophobicContact CB-CD2 4.49Å; H254-Y256 HydrophobicContact CB-CE1 3.67Å; H254-Y256 HydrophobicContact CB-CE2 4.17Å; H254-Y256 HydrophobicContact CB-CG 4.44Å; H254-Y256 AromaticContact CG-CZ 3.77Å; H254-Y256 AromaticContact ND1-CZ 3.79Å; H254-Y256 PolarHBondContact ND1-OH 2.91Å; H254-Y256 PolarHBondContact O-N 3.13Å
257	E	89.5	Confident	93.8	Very high	86 Å²	86	59.9 Å²	59.9	40%	0.402	31%	0.31	S	S	.	.	S	Bend	trans	-135.9	143.3	176.6	77.1	-161.9	177.9	0	0	110.6	H254	H254-E257 HydrophobicContact CB-CG 4.04Å; H254-E257 IonicContact CE1-OE1 3.17Å; H254-E257 IonicContact CG-OE1 3.49Å; H254-E257 IonicContact ND1-OE1 3.93Å; H254-E257 PolarHBondContact ND1-OE1 3.46Å; H254-E257 IonicContact ND1-OE2 2.74Å
258	Q	81.3	Confident	94	Very high	198 Å²	198	61.1 Å²	61.1	93%	0.925	30%	0.298	S	S	*	.			trans	-72.3	132.3	163.6	-63.9	-175.3	3.2	0	0	107.1
259	G	81.1	Confident	94	Very high	51 Å²	51	60.2 Å²	60.2	53%	0.526	30%	0.296	S	S	.	.			trans	-170.3	-166.6	-171.7	0	0	0	0	0	113.3
260	K	88.6	Confident	94	Very high	117 Å²	117	55.8 Å²	55.8	51%	0.509	28%	0.28	S	S	.	.	S	Bend	trans	-61.9	153.6	175.6	-62.7	173.3	-179.1	170.7	0	110.3	P252 Y253 E265	P252-K260 CarbonylContact C-O 3.58Å; P252-K260 WeakPolarHBondContact CA-O 3.3Å; Y253-K260 PolarHBondContact N-O 2.78Å; K260-E265 WeakPolarHBondContact CD-OE2 3.38Å; K260-E265 WeakPolarHBondContact CE-OE2 3.44Å; K260-E265 IonicContact NZ-OE1 3.53Å; K260-E265 PolarHBondContact NZ-OE1 3.19Å; K260-E265 IonicContact NZ-OE2 3.21Å; K260-E265 PolarHBondContact NZ-OE2 3.29Å
261	D	95.6	Very high	93.8	Very high	27 Å²	27	55 Å²	55	14%	0.144	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-58.2	137.4	169.2	172.5	-91.8	0	0	0	111.1	K250 V251 C263 N264 E265	K250-D261 WeakPolarHBondContact CB-OD2 3.37Å; V251-D261 WeakPolarHBondContact O-CA 3.46Å; D261-C263 PolarHBondContact O-N 3.31Å; D261-C263 WeakPolarHBondContact OD1-CB 3.47Å; D261-C263 PolarHBondContact OD1-N 2.79Å; D261-N264 HydrophobicContact CB-CB 4.16Å; D261-N264 PolarHBondContact O-N 3.04Å; D261-N264 PolarHBondContact OD1-N 3.46Å; D261-E265 PolarHBondContact O-N 3.28Å; D261-E265 VanDerWaalsContact O-N 3.09Å
262	E	96.9	Very high	93.6	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-54.4	-49.4	-177.5	176.4	-176.5	-141.6	0	0	112.6	S86 Q88 I238 V251 E265 Y266	S86-E262 VanDerWaalsContact CB-OE1 3.27Å; S86-E262 WeakPolarHBondContact CB-OE1 3.41Å; S86-E262 PolarHBondContact OG-OE1 2.94Å; Q88-E262 PolarHBondContact NE2-OE2 2.9Å; I238-E262 HydrophobicContact CD1-CG 4.34Å; I238-E262 WeakPolarHBondContact CG2-OE2 3.49Å; V251-E262 HydrophobicContact CG2-CB 3.91Å; V251-E262 WeakPolarHBondContact CG2-OE2 3.06Å; V251-E262 PolarHBondContact O-N 3.13Å; E262-E265 PolarHBondContact O-N 3.19Å; E262-Y266 HydrophobicContact CG-CD2 3.9Å; E262-Y266 HydrophobicContact CG-CE2 3.46Å; E262-Y266 VanDerWaalsContact CG-CE2 3.46Å; E262-Y266 PolarHBondContact O-N 2.96Å; E262-Y266 WeakPolarHBondContact OE1-CE2 3.26Å; E262-Y266 PolarHBondContact OE1-OH 3.42Å
263	C	97	Very high	92.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.014	30%	0.298	C	S	.	.	H	α-helix	trans	-68.1	-39.9	-176.3	-80.1	0	0	0	0	111.7	C243 Y248 D261 E265 Y266 L267	C243-C263 WeakPolarHBondContact CA-SG 3.3Å; C243-C263 HydrophobicContact CB-CB 3.65Å; C243-C263 WeakPolarHBondContact CB-SG 3.43Å; C243-C263 WeakPolarHBondContact SG-CA 3.42Å; C243-C263 WeakPolarHBondContact SG-CB 3.43Å; C243-C263 CovalentContact SG-SG 2.04Å; C243-C263 PolarHBondContact SG-SG 3.5Å; Y248-C263 HydrophobicContact CE2-CB 4.02Å; D261-C263 PolarHBondContact O-N 3.31Å; D261-C263 WeakPolarHBondContact OD1-CB 3.47Å; D261-C263 PolarHBondContact OD1-N 2.79Å; C263-E265 VanDerWaalsContact C-N 3.34Å; C263-E265 PolarHBondContact O-N 2.97Å; C263-Y266 PolarHBondContact O-N 3.39Å; C263-L267 WeakPolarHBondContact O-CB 3Å; C263-L267 VanDerWaalsContact O-CG 3.26Å; C263-L267 WeakPolarHBondContact O-CG 3.09Å; C263-L267 PolarHBondContact O-N 3.19Å
264	N	95.8	Very high	92.3	Very high	98 Å²	98	64.6 Å²	64.6	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-43.7	174.6	-72.9	-19.9	0	0	0	112	D261 L267 L268	D261-N264 HydrophobicContact CB-CB 4.16Å; D261-N264 PolarHBondContact O-N 3.04Å; D261-N264 PolarHBondContact OD1-N 3.46Å; N264-L267 PolarHBondContact O-N 3.1Å; N264-L268 VanDerWaalsContact O-CB 3.24Å; N264-L268 WeakPolarHBondContact O-CB 3.2Å; N264-L268 PolarHBondContact O-N 2.86Å
265	E	95.9	Very high	91.7	Very high	28 Å²	28	65.3 Å²	65.3	13%	0.131	34%	0.341	C	S	.	.	H	α-helix	trans	-68.8	-40.6	179.3	-164.3	70.3	164.9	0	0	111.7	Y253 K260 D261 E262 C263 L268 H269	Y253-E265 HydrophobicContact CD1-CG 4.28Å; Y253-E265 HydrophobicContact CD2-CB 3.52Å; Y253-E265 HydrophobicContact CD2-CG 3.73Å; Y253-E265 HydrophobicContact CE1-CG 4.29Å; Y253-E265 HydrophobicContact CE2-CB 3.84Å; Y253-E265 HydrophobicContact CE2-CG 3.68Å; Y253-E265 HydrophobicContact CG-CB 4.03Å; Y253-E265 HydrophobicContact CG-CG 4.02Å; K260-E265 WeakPolarHBondContact CD-OE2 3.38Å; K260-E265 WeakPolarHBondContact CE-OE2 3.44Å; K260-E265 IonicContact NZ-OE1 3.53Å; K260-E265 PolarHBondContact NZ-OE1 3.19Å; K260-E265 IonicContact NZ-OE2 3.21Å; K260-E265 PolarHBondContact NZ-OE2 3.29Å; D261-E265 PolarHBondContact O-N 3.28Å; D261-E265 VanDerWaalsContact O-N 3.09Å; E262-E265 PolarHBondContact O-N 3.19Å; C263-E265 VanDerWaalsContact C-N 3.34Å; C263-E265 PolarHBondContact O-N 2.97Å; E265-L268 PolarHBondContact O-N 3.11Å; E265-H269 PolarHBondContact O-CD2 3.32Å; E265-H269 VanDerWaalsContact O-CD2 3.26Å; E265-H269 PolarHBondContact O-N 2.68Å; E265-H269 IonicContact OE1-CD2 3.59Å; E265-H269 IonicContact OE1-NE2 3.43Å; E265-H269 PolarHBondContact OE1-NE2 3.31Å
266	Y	96.1	Very high	91.2	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174.9	-71.9	-19.6	0	0	0	112.6	I238 Y253 E262 C263 H269 E270 F279	I238-Y266 HydrophobicContact CD1-CD2 3.67Å; I238-Y266 HydrophobicContact CD1-CE2 3.63Å; I238-Y266 HydrophobicContact CG1-CD2 4.24Å; I238-Y266 HydrophobicContact CG1-CE2 3.82Å; Y253-Y266 HydrophobicContact CD2-CD1 4.35Å; Y253-Y266 HydrophobicContact CD2-CE1 4.09Å; Y253-Y266 AromaticContact CE2-CD1 3.59Å; Y253-Y266 HydrophobicContact CE2-CD1 3.59Å; Y253-Y266 AromaticContact CE2-CE1 3.3Å; Y253-Y266 HydrophobicContact CE2-CE1 3.3Å; E262-Y266 HydrophobicContact CG-CD2 3.9Å; E262-Y266 HydrophobicContact CG-CE2 3.46Å; E262-Y266 VanDerWaalsContact CG-CE2 3.46Å; E262-Y266 PolarHBondContact O-N 2.96Å; E262-Y266 WeakPolarHBondContact OE1-CE2 3.26Å; E262-Y266 PolarHBondContact OE1-OH 3.42Å; C263-Y266 PolarHBondContact O-N 3.39Å; Y266-H269 PolarHBondContact O-N 3.47Å; Y266-E270 VanDerWaalsContact O-CB 3.23Å; Y266-E270 WeakPolarHBondContact O-CB 3.4Å; Y266-E270 PolarHBondContact O-N 3.16Å; Y266-F279 HydrophobicContact CD1-CB 3.86Å; Y266-F279 HydrophobicContact CD1-CD1 4.2Å; Y266-F279 AromaticContact CD1-CD2 3.4Å; Y266-F279 HydrophobicContact CD1-CD2 3.4Å; Y266-F279 AromaticContact CD1-CE2 3.84Å; Y266-F279 HydrophobicContact CD1-CE2 3.84Å; Y266-F279 AromaticContact CD1-CG 3.58Å; Y266-F279 HydrophobicContact CD1-CG 3.58Å; Y266-F279 HydrophobicContact CD1-CZ 4.42Å; Y266-F279 HydrophobicContact CE1-CB 4.43Å; Y266-F279 HydrophobicContact CE1-CD1 4.15Å; Y266-F279 HydrophobicContact CE1-CD2 4.1Å; Y266-F279 HydrophobicContact CE1-CE1 4.37Å; Y266-F279 HydrophobicContact CE1-CE2 4.29Å; Y266-F279 HydrophobicContact CE1-CG 4Å; Y266-F279 HydrophobicContact CE1-CZ 4.44Å; Y266-F279 HydrophobicContact CG-CB 4.14Å; Y266-F279 HydrophobicContact CG-CD2 4.24Å; Y266-F279 HydrophobicContact CG-CG 4.34Å
267	L	95.4	Very high	91	Very high	58 Å²	58	65.2 Å²	65.2	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-69.3	-37	179.8	-68	169.6	0	0	0	112	C263 N264 E270 H271	C263-L267 WeakPolarHBondContact O-CB 3Å; C263-L267 VanDerWaalsContact O-CG 3.26Å; C263-L267 WeakPolarHBondContact O-CG 3.09Å; C263-L267 PolarHBondContact O-N 3.19Å; N264-L267 PolarHBondContact O-N 3.1Å; L267-E270 PolarHBondContact O-N 3.3Å; L267-H271 PolarHBondContact O-N 2.9Å; L267-H271 VanDerWaalsContact O-N 3.16Å; L267-H271 PolarHBondContact O-ND1 2.93Å
268	L	94.9	Very high	91.2	Very high	103 Å²	103	62.6 Å²	62.6	54%	0.539	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-49.2	174.1	-177	109.5	0	0	0	110.9	N264 E265 A272	N264-L268 VanDerWaalsContact O-CB 3.24Å; N264-L268 WeakPolarHBondContact O-CB 3.2Å; N264-L268 PolarHBondContact O-N 2.86Å; E265-L268 PolarHBondContact O-N 3.11Å; L268-A272 PolarHBondContact O-N 2.8Å; L268-A272 VanDerWaalsContact O-N 3.13Å
269	H	94.5	Very high	91.9	Very high	40 Å²	40	53.8 Å²	53.8	19%	0.185	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-40	179.2	-83.4	-102.6	0	0	0	112.5	E265 Y266 H271 A272 H277 F279	E265-H269 PolarHBondContact O-CD2 3.32Å; E265-H269 VanDerWaalsContact O-CD2 3.26Å; E265-H269 PolarHBondContact O-N 2.68Å; E265-H269 IonicContact OE1-CD2 3.59Å; E265-H269 IonicContact OE1-NE2 3.43Å; E265-H269 PolarHBondContact OE1-NE2 3.31Å; Y266-H269 PolarHBondContact O-N 3.47Å; H269-H271 VanDerWaalsContact C-N 3.27Å; H269-H271 PolarHBondContact O-N 2.85Å; H269-A272 PolarHBondContact O-N 3.26Å; H269-H277 CarbonylContact C-O 3.58Å; H269-H277 HydrophobicContact CB-CB 4.4Å; H269-H277 AromaticContact ND1-CD2 3.73Å; H269-F279 HydrophobicContact CB-CD2 3.68Å; H269-F279 HydrophobicContact CB-CE2 3.63Å; H269-F279 AromaticContact CG-CE2 3.78Å
270	E	93.9	Very high	92.6	Very high	23 Å²	23	52.8 Å²	52.8	11%	0.107	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-37.7	-179.9	-176.1	66.4	-155.6	0	0	111.8	Y266 L267 H277 R278 F279 I280 T281	Y266-E270 VanDerWaalsContact O-CB 3.23Å; Y266-E270 WeakPolarHBondContact O-CB 3.4Å; Y266-E270 PolarHBondContact O-N 3.16Å; L267-E270 PolarHBondContact O-N 3.3Å; E270-H277 WeakPolarHBondContact CA-O 3.01Å; E270-H277 PolarHBondContact N-O 3.43Å; E270-R278 PolarHBondContact O-NH1 3.17Å; E270-R278 WeakPolarHBondContact OE2-CA 3.26Å; E270-F279 PolarHBondContact OE2-N 3.44Å; E270-I280 HydrophobicContact CB-CG1 4.2Å; E270-I280 HydrophobicContact CG-CB 3.96Å; E270-I280 HydrophobicContact CG-CG1 4.03Å; E270-I280 PolarHBondContact OE2-N 3.06Å; E270-T281 PolarHBondContact OE1-N 2.95Å; E270-T281 PolarHBondContact OE1-OG1 3.31Å; E270-T281 PolarHBondContact OE2-N 3.45Å
271	H	91.8	Very high	92.9	Very high	135 Å²	135	48.3 Å²	48.3	63%	0.625	25%	0.252	S	S	*	.	H	α-helix	trans	-97	-2.7	-178.1	-60.4	99.1	0	0	0	113.9	L267 H269	L267-H271 PolarHBondContact O-N 2.9Å; L267-H271 VanDerWaalsContact O-N 3.16Å; L267-H271 PolarHBondContact O-ND1 2.93Å; H269-H271 VanDerWaalsContact C-N 3.27Å; H269-H271 PolarHBondContact O-N 2.85Å
272	A	91.2	Very high	93	Very high	21 Å²	21	47.1 Å²	47.1	17%	0.174	25%	0.245	C	C	.	.			trans	-60.7	135.4	179	0	0	0	0	0	110.6	L268 H269 Y274 R278	L268-A272 PolarHBondContact O-N 2.8Å; L268-A272 VanDerWaalsContact O-N 3.13Å; H269-A272 PolarHBondContact O-N 3.26Å; A272-Y274 VanDerWaalsContact C-N 3.34Å; A272-R278 PolarHBondContact O-NH1 3.07Å; A272-R278 PolarHBondContact O-NH2 3.38Å
273	P	83.8	Confident	93	Very high	95 Å²	95	47.4 Å²	47.4	62%	0.617	25%	0.247	S	C	*	.	S	Bend	trans	-69.7	-33.9	179.8	27.2	-33.8	0	0	0	111.6
274	Y	85.1	Confident	92.9	Very high	182 Å²	182	54.1 Å²	54.1	71%	0.714	28%	0.276	S	S	*	.	S	Bend	trans	-144.9	152.7	178.6	-55.3	-81	0	0	0	110.6	G212 A272 G276	G212-Y274 CarbonylContact O-C 3.56Å; G212-Y274 WeakPolarHBondContact O-CA 3.46Å; A272-Y274 VanDerWaalsContact C-N 3.34Å; Y274-G276 PolarHBondContact O-N 3.08Å
275	G	83.3	Confident	93	Very high	45 Å²	45	49.8 Å²	49.8	46%	0.464	25%	0.253	S	S	.	.	S	Bend	trans	74.6	-10.8	173.1	0	0	0	0	0	115.6	G212	G212-G275 PolarHBondContact O-N 2.97Å
276	G	88.4	Confident	93.1	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.021	25%	0.247	C	C	.	.			trans	-77.6	165.1	177.4	0	0	0	0	0	114.1	S213 Y214 Y274	S213-G276 CarbonylContact C-O 3.16Å; S213-G276 WeakPolarHBondContact CA-O 3.29Å; S213-G276 WeakPolarHBondContact CB-O 3.4Å; Y214-G276 PolarHBondContact N-O 2.91Å; Y274-G276 PolarHBondContact O-N 3.08Å
277	H	92.3	Very high	93.1	Very high	42 Å²	42	48.5 Å²	48.5	19%	0.194	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-98	147.2	170.1	-66.1	-66.5	0	0	0	110	Y214 L215 H269 E270 F279	Y214-H277 WeakPolarHBondContact O-CA 3.19Å; Y214-H277 PolarHBondContact O-ND1 3.21Å; L215-H277 PolarHBondContact O-CE1 2.91Å; L215-H277 PolarHBondContact O-ND1 3.5Å; H269-H277 CarbonylContact C-O 3.58Å; H269-H277 HydrophobicContact CB-CB 4.4Å; H269-H277 AromaticContact ND1-CD2 3.73Å; E270-H277 WeakPolarHBondContact CA-O 3.01Å; E270-H277 PolarHBondContact N-O 3.43Å; H277-F279 HydrophobicContact CB-CD1 3.94Å; H277-F279 HydrophobicContact CB-CD2 3.78Å; H277-F279 HydrophobicContact CB-CE1 3.71Å; H277-F279 HydrophobicContact CB-CE2 3.59Å; H277-F279 HydrophobicContact CB-CG 3.98Å; H277-F279 HydrophobicContact CB-CZ 3.53Å; H277-F279 AromaticContact CD2-CE2 3.95Å; H277-F279 AromaticContact CD2-CZ 3.43Å; H277-F279 VanDerWaalsContact CD2-CZ 3.43Å; H277-F279 WeakPolarHBondContact CD2-CZ 2.99Å; H277-F279 AromaticContact CG-CE1 3.98Å; H277-F279 AromaticContact CG-CZ 3.68Å; H277-F279 PolarHBondContact O-N 2.93Å
278	R	93.1	Very high	93.2	Very high	31 Å²	31	49.9 Å²	49.9	12%	0.117	25%	0.253	C	S	.	.			trans	-92.4	55.5	176.2	-56	-61.5	-174.8	-156.4	-8.8	110.6	F200 S211 E270 A272 I280 T281 E282	F200-R278 HydrophobicContact CE2-CB 4.45Å; F200-R278 HydrophobicContact CZ-CB 4.09Å; F200-R278 HydrophobicContact CZ-CG 4.22Å; S211-R278 PolarHBondContact O-NH2 2.77Å; E270-R278 PolarHBondContact O-NH1 3.17Å; E270-R278 WeakPolarHBondContact OE2-CA 3.26Å; A272-R278 PolarHBondContact O-NH1 3.07Å; A272-R278 PolarHBondContact O-NH2 3.38Å; R278-I280 VanDerWaalsContact C-N 3.33Å; R278-I280 PolarHBondContact O-N 3.49Å; R278-T281 PolarHBondContact O-N 2.88Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; R278-E282 VanDerWaalsContact O-CG 3.27Å; R278-E282 WeakPolarHBondContact O-CG 3.4Å; R278-E282 PolarHBondContact O-N 3.4Å
279	F	95.1	Very high	93.3	Very high	13 Å²	13	45.4 Å²	45.4	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-55.2	-40.2	-171.9	-70	-57.8	0	0	0	114.7	Y253 Y266 H269 E270 H277 K283	Y253-F279 WeakPolarHBondContact OH-CZ 3.47Å; Y266-F279 HydrophobicContact CD1-CB 3.86Å; Y266-F279 HydrophobicContact CD1-CD1 4.2Å; Y266-F279 AromaticContact CD1-CD2 3.4Å; Y266-F279 HydrophobicContact CD1-CD2 3.4Å; Y266-F279 AromaticContact CD1-CE2 3.84Å; Y266-F279 HydrophobicContact CD1-CE2 3.84Å; Y266-F279 AromaticContact CD1-CG 3.58Å; Y266-F279 HydrophobicContact CD1-CG 3.58Å; Y266-F279 HydrophobicContact CD1-CZ 4.42Å; Y266-F279 HydrophobicContact CE1-CB 4.43Å; Y266-F279 HydrophobicContact CE1-CD1 4.15Å; Y266-F279 HydrophobicContact CE1-CD2 4.1Å; Y266-F279 HydrophobicContact CE1-CE1 4.37Å; Y266-F279 HydrophobicContact CE1-CE2 4.29Å; Y266-F279 HydrophobicContact CE1-CG 4Å; Y266-F279 HydrophobicContact CE1-CZ 4.44Å; Y266-F279 HydrophobicContact CG-CB 4.14Å; Y266-F279 HydrophobicContact CG-CD2 4.24Å; Y266-F279 HydrophobicContact CG-CG 4.34Å; H269-F279 HydrophobicContact CB-CD2 3.68Å; H269-F279 HydrophobicContact CB-CE2 3.63Å; H269-F279 AromaticContact CG-CE2 3.78Å; E270-F279 PolarHBondContact OE2-N 3.44Å; H277-F279 HydrophobicContact CB-CD1 3.94Å; H277-F279 HydrophobicContact CB-CD2 3.78Å; H277-F279 HydrophobicContact CB-CE1 3.71Å; H277-F279 HydrophobicContact CB-CE2 3.59Å; H277-F279 HydrophobicContact CB-CG 3.98Å; H277-F279 HydrophobicContact CB-CZ 3.53Å; H277-F279 AromaticContact CD2-CE2 3.95Å; H277-F279 AromaticContact CD2-CZ 3.43Å; H277-F279 VanDerWaalsContact CD2-CZ 3.43Å; H277-F279 WeakPolarHBondContact CD2-CZ 2.99Å; H277-F279 AromaticContact CG-CE1 3.98Å; H277-F279 AromaticContact CG-CZ 3.68Å; H277-F279 PolarHBondContact O-N 2.93Å; F279-K283 WeakPolarHBondContact O-CD 3.45Å; F279-K283 WeakPolarHBondContact O-CG 3.37Å; F279-K283 PolarHBondContact O-N 2.9Å; F279-K283 VanDerWaalsContact O-N 3.13Å
280	I	95.8	Very high	93.4	Very high	30 Å²	30	44 Å²	44	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-76.1	-41.6	179.9	-56	-57.4	0	0	0	109.7	E240 E270 R278 E282 K283 K284	E240-I280 HydrophobicContact CB-CG2 3.9Å; E270-I280 HydrophobicContact CB-CG1 4.2Å; E270-I280 HydrophobicContact CG-CB 3.96Å; E270-I280 HydrophobicContact CG-CG1 4.03Å; E270-I280 PolarHBondContact OE2-N 3.06Å; R278-I280 VanDerWaalsContact C-N 3.33Å; R278-I280 PolarHBondContact O-N 3.49Å; I280-E282 VanDerWaalsContact C-N 3.34Å; I280-E282 PolarHBondContact O-N 3.42Å; I280-K283 HydrophobicContact CD1-CD 4.46Å; I280-K283 PolarHBondContact O-N 2.85Å; I280-K284 PolarHBondContact O-N 2.84Å; I280-K284 VanDerWaalsContact O-N 3.08Å
281	T	95.3	Very high	93.5	Very high	23 Å²	23	48.7 Å²	48.7	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-44.3	173.5	-63.9	0	0	0	0	111.4	F200 T204 E270 R278 K284 V285	F200-T281 HydrophobicContact CE2-CG2 4.17Å; F200-T281 HydrophobicContact CZ-CG2 4.05Å; T204-T281 HydrophobicContact CG2-CG2 3.57Å; E270-T281 PolarHBondContact OE1-N 2.95Å; E270-T281 PolarHBondContact OE1-OG1 3.31Å; E270-T281 PolarHBondContact OE2-N 3.45Å; R278-T281 PolarHBondContact O-N 2.88Å; T281-K284 WeakPolarHBondContact O-CB 3.45Å; T281-K284 PolarHBondContact O-N 3.31Å; T281-V285 PolarHBondContact O-N 3.22Å
282	E	96.8	Very high	93.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-45.4	177	-72	177.3	-157	0	0	111.7	F200 L215 S216 W219 R278 I280 K284 V285 F286	F200-E282 HydrophobicContact CD2-CG 4.49Å; F200-E282 HydrophobicContact CE2-CG 4.03Å; L215-E282 WeakPolarHBondContact CA-OE1 3.15Å; S216-E282 WeakPolarHBondContact CB-OE2 3.48Å; S216-E282 PolarHBondContact N-OE1 3.37Å; S216-E282 PolarHBondContact OG-OE2 3.48Å; W219-E282 HydrophobicContact CD2-CG 4.47Å; W219-E282 HydrophobicContact CE3-CB 4.02Å; W219-E282 HydrophobicContact CE3-CG 3.65Å; W219-E282 HydrophobicContact CZ3-CB 4.38Å; W219-E282 HydrophobicContact CZ3-CG 4.17Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; R278-E282 VanDerWaalsContact O-CG 3.27Å; R278-E282 WeakPolarHBondContact O-CG 3.4Å; R278-E282 PolarHBondContact O-N 3.4Å; I280-E282 VanDerWaalsContact C-N 3.34Å; I280-E282 PolarHBondContact O-N 3.42Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.44Å; E282-V285 CarbonylContact O-C 3.59Å; E282-V285 WeakPolarHBondContact O-CA 3.27Å; E282-V285 WeakPolarHBondContact O-CB 3.45Å; E282-V285 PolarHBondContact O-N 2.91Å; E282-F286 HydrophobicContact CB-CE2 4.22Å; E282-F286 HydrophobicContact CB-CZ 4.01Å; E282-F286 WeakPolarHBondContact O-CD1 3.23Å; E282-F286 VanDerWaalsContact O-CG 3.29Å; E282-F286 WeakPolarHBondContact O-CG 3.5Å; E282-F286 PolarHBondContact O-N 3.13Å
283	K	97	Very high	93.8	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-39.5	177.1	-75.2	167.6	174.4	86	0	112.6	I238 E240 F279 I280 V285 F286 A287 W302	I238-K283 HydrophobicContact CG1-CD 4.37Å; I238-K283 WeakPolarHBondContact O-CD 3.26Å; I238-K283 WeakPolarHBondContact O-CE 3.49Å; E240-K283 HydrophobicContact CB-CB 4.22Å; F279-K283 WeakPolarHBondContact O-CD 3.45Å; F279-K283 WeakPolarHBondContact O-CG 3.37Å; F279-K283 PolarHBondContact O-N 2.9Å; F279-K283 VanDerWaalsContact O-N 3.13Å; I280-K283 HydrophobicContact CD1-CD 4.46Å; I280-K283 PolarHBondContact O-N 2.85Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 3.39Å; K283-F286 WeakPolarHBondContact O-CB 3.34Å; K283-F286 PolarHBondContact O-N 2.91Å; K283-F286 VanDerWaalsContact O-N 3.13Å; K283-A287 PolarHBondContact O-N 2.99Å; K283-W302 HydrophobicContact CB-CH2 4.07Å; K283-W302 HydrophobicContact CG-CH2 4.15Å
284	K	96.3	Very high	94.4	Very high	142 Å²	142	55.1 Å²	55.1	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-60.1	-38.3	173.7	-176.8	175	179.1	174.5	0	112.1	E240 I280 T281 E282 K288	E240-K284 HydrophobicContact CB-CB 4.29Å; E240-K284 HydrophobicContact CG-CB 4.24Å; I280-K284 PolarHBondContact O-N 2.84Å; I280-K284 VanDerWaalsContact O-N 3.08Å; T281-K284 WeakPolarHBondContact O-CB 3.45Å; T281-K284 PolarHBondContact O-N 3.31Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.44Å; K284-K288 PolarHBondContact O-N 3.38Å
285	V	97.2	Very high	95	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-69.5	-41.7	173.8	178.4	0	0	0	0	111	E203 T204 W219 T281 E282 K283 A287 K288 W289	E203-V285 HydrophobicContact CB-CB 4.49Å; E203-V285 HydrophobicContact CB-CG1 3.76Å; E203-V285 HydrophobicContact CB-CG2 3.85Å; E203-V285 HydrophobicContact CG-CG1 3.72Å; T204-V285 HydrophobicContact CG2-CG2 3.72Å; W219-V285 HydrophobicContact CH2-CB 4.25Å; W219-V285 HydrophobicContact CH2-CG1 3.8Å; W219-V285 HydrophobicContact CH2-CG2 4.39Å; W219-V285 HydrophobicContact CZ3-CB 3.91Å; W219-V285 HydrophobicContact CZ3-CG1 3.85Å; W219-V285 HydrophobicContact CZ3-CG2 4.26Å; T281-V285 PolarHBondContact O-N 3.22Å; E282-V285 CarbonylContact O-C 3.59Å; E282-V285 WeakPolarHBondContact O-CA 3.27Å; E282-V285 WeakPolarHBondContact O-CB 3.45Å; E282-V285 PolarHBondContact O-N 2.91Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 3.39Å; V285-A287 VanDerWaalsContact C-N 3.27Å; V285-A287 PolarHBondContact O-N 3.26Å; V285-K288 CarbonylContact O-C 3.57Å; V285-K288 WeakPolarHBondContact O-CA 3.31Å; V285-K288 VanDerWaalsContact O-CB 3.31Å; V285-K288 WeakPolarHBondContact O-CB 3.42Å; V285-K288 PolarHBondContact O-N 2.92Å; V285-W289 HydrophobicContact CG1-CD2 3.97Å; V285-W289 VanDerWaalsContact CG1-CE2 3.44Å; V285-W289 HydrophobicContact CG1-CG 4.41Å; V285-W289 HydrophobicContact CG1-CH2 4.26Å; V285-W289 HydrophobicContact CG1-CZ2 3.61Å; V285-W289 PolarHBondContact O-N 3.05Å
286	F	98	Very high	95.7	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-38.6	176.7	-59.2	-19.5	0	0	0	112.1	W219 F222 M237 E282 K283 K288 W289 A290 F297 W302	W219-F286 HydrophobicContact CB-CZ 4.45Å; W219-F286 HydrophobicContact CD2-CE1 4.36Å; W219-F286 HydrophobicContact CE3-CD1 4.46Å; W219-F286 AromaticContact CE3-CE1 3.48Å; W219-F286 HydrophobicContact CE3-CE1 3.48Å; W219-F286 VanDerWaalsContact CE3-CE1 3.48Å; W219-F286 AromaticContact CE3-CZ 3.93Å; W219-F286 HydrophobicContact CE3-CZ 3.93Å; W219-F286 AromaticContact CZ3-CE1 3.93Å; W219-F286 HydrophobicContact CZ3-CE1 3.93Å; F222-F286 HydrophobicContact CB-CE1 4.22Å; F222-F286 HydrophobicContact CD1-CD1 4.02Å; F222-F286 HydrophobicContact CD1-CE1 4.34Å; F222-F286 HydrophobicContact CD1-CG 4.19Å; F222-F286 HydrophobicContact CE1-CB 4.34Å; F222-F286 HydrophobicContact CE1-CD1 4.49Å; F222-F286 HydrophobicContact CE1-CD2 4.44Å; F222-F286 HydrophobicContact CE1-CG 4.19Å; F222-F286 HydrophobicContact CG-CD1 4.37Å; F222-F286 HydrophobicContact CG-CE1 4.22Å; F222-F286 HydrophobicContact CG-CZ 4.44Å; M237-F286 HydrophobicContact CE-CE2 4.43Å; M237-F286 HydrophobicContact SD-CD2 3.81Å; M237-F286 HydrophobicContact SD-CE2 4.13Å; E282-F286 HydrophobicContact CB-CE2 4.22Å; E282-F286 HydrophobicContact CB-CZ 4.01Å; E282-F286 WeakPolarHBondContact O-CD1 3.23Å; E282-F286 VanDerWaalsContact O-CG 3.29Å; E282-F286 WeakPolarHBondContact O-CG 3.5Å; E282-F286 PolarHBondContact O-N 3.13Å; K283-F286 WeakPolarHBondContact O-CB 3.34Å; K283-F286 PolarHBondContact O-N 2.91Å; K283-F286 VanDerWaalsContact O-N 3.13Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.33Å; F286-W289 AromaticContact CD1-CE3 3.66Å; F286-W289 HydrophobicContact CD1-CE3 3.66Å; F286-W289 HydrophobicContact CD1-CH2 4.49Å; F286-W289 AromaticContact CD1-CZ3 3.61Å; F286-W289 HydrophobicContact CD1-CZ3 3.61Å; F286-W289 HydrophobicContact CE1-CE3 4.17Å; F286-W289 HydrophobicContact CE1-CH2 4.33Å; F286-W289 AromaticContact CE1-CZ3 3.63Å; F286-W289 HydrophobicContact CE1-CZ3 3.63Å; F286-W289 PolarHBondContact O-N 2.88Å; F286-A290 WeakPolarHBondContact O-CB 3.36Å; F286-A290 PolarHBondContact O-N 2.97Å; F286-F297 HydrophobicContact CB-CZ 3.97Å; F286-W302 HydrophobicContact CB-CH2 4.11Å; F286-W302 HydrophobicContact CB-CZ3 4.06Å
287	A	97.1	Very high	96.2	Very high	12 Å²	12	49.1 Å²	49.1	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-38.1	173.2	0	0	0	0	0	111.8	K283 V285 A290 W302	K283-A287 PolarHBondContact O-N 2.99Å; V285-A287 VanDerWaalsContact C-N 3.27Å; V285-A287 PolarHBondContact O-N 3.26Å; A287-A290 PolarHBondContact O-N 3.08Å; A287-W302 HydrophobicContact CB-CE3 4.11Å; A287-W302 HydrophobicContact CB-CZ3 3.97Å
288	K	96.6	Very high	96.4	Very high	86 Å²	86	47.9 Å²	47.9	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-66.6	-40	173.4	-178.1	-176.4	174.8	-168.2	0	112	E203 K284 V285 F286 K291	E203-K288 WeakPolarHBondContact OE2-CD 3.07Å; E203-K288 WeakPolarHBondContact OE2-CE 3.38Å; E203-K288 IonicContact OE2-NZ 2.66Å; E203-K288 PolarHBondContact OE2-NZ 2.55Å; K284-K288 PolarHBondContact O-N 3.38Å; V285-K288 CarbonylContact O-C 3.57Å; V285-K288 WeakPolarHBondContact O-CA 3.31Å; V285-K288 VanDerWaalsContact O-CB 3.31Å; V285-K288 WeakPolarHBondContact O-CB 3.42Å; V285-K288 PolarHBondContact O-N 2.92Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.33Å; K288-K291 PolarHBondContact O-N 3.35Å
289	W	97.4	Very high	96.6	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-38	176	-67.7	-13.9	0	0	0	112.1	V199 E203 W219 F222 I223 M226 V285 F286 K291 K292 H293 I295	V199-W289 HydrophobicContact CG1-CH2 4.26Å; V199-W289 HydrophobicContact CG1-CZ2 3.69Å; E203-W289 HydrophobicContact CG-CZ2 4.22Å; E203-W289 PolarHBondContact OE1-NE1 3.14Å; W219-W289 HydrophobicContact CD2-CH2 4.37Å; W219-W289 HydrophobicContact CE3-CH2 4.21Å; W219-W289 AromaticContact CH2-CH2 3.66Å; W219-W289 HydrophobicContact CH2-CH2 3.66Å; W219-W289 AromaticContact CH2-CZ2 3.79Å; W219-W289 HydrophobicContact CH2-CZ2 3.79Å; W219-W289 AromaticContact CZ2-CH2 3.8Å; W219-W289 HydrophobicContact CZ2-CH2 3.8Å; W219-W289 HydrophobicContact CZ2-CZ2 4.07Å; W219-W289 AromaticContact CZ3-CH2 3.88Å; W219-W289 HydrophobicContact CZ3-CH2 3.88Å; W219-W289 HydrophobicContact CZ3-CZ2 4.31Å; F222-W289 HydrophobicContact CB-CE3 4.42Å; F222-W289 HydrophobicContact CB-CZ3 3.92Å; F222-W289 HydrophobicContact CD1-CE3 4.32Å; I223-W289 HydrophobicContact CG1-CH2 4.08Å; M226-W289 HydrophobicContact CE-CD2 3.78Å; M226-W289 HydrophobicContact CE-CE3 3.36Å; M226-W289 HydrophobicContact CE-CH2 3.87Å; M226-W289 HydrophobicContact CE-CZ2 4.23Å; M226-W289 HydrophobicContact CE-CZ3 3.41Å; M226-W289 VanDerWaalsContact CE-CZ3 3.41Å; M226-W289 HydrophobicContact SD-CB 4.35Å; M226-W289 HydrophobicContact SD-CD2 4.04Å; M226-W289 HydrophobicContact SD-CE3 3.83Å; M226-W289 HydrophobicContact SD-CG 4.3Å; M226-W289 HydrophobicContact SD-CZ3 4.46Å; V285-W289 HydrophobicContact CG1-CD2 3.97Å; V285-W289 VanDerWaalsContact CG1-CE2 3.44Å; V285-W289 HydrophobicContact CG1-CG 4.41Å; V285-W289 HydrophobicContact CG1-CH2 4.26Å; V285-W289 HydrophobicContact CG1-CZ2 3.61Å; V285-W289 PolarHBondContact O-N 3.05Å; F286-W289 AromaticContact CD1-CE3 3.66Å; F286-W289 HydrophobicContact CD1-CE3 3.66Å; F286-W289 HydrophobicContact CD1-CH2 4.49Å; F286-W289 AromaticContact CD1-CZ3 3.61Å; F286-W289 HydrophobicContact CD1-CZ3 3.61Å; F286-W289 HydrophobicContact CE1-CE3 4.17Å; F286-W289 HydrophobicContact CE1-CH2 4.33Å; F286-W289 AromaticContact CE1-CZ3 3.63Å; F286-W289 HydrophobicContact CE1-CZ3 3.63Å; F286-W289 PolarHBondContact O-N 2.88Å; W289-K291 PolarHBondContact O-N 3.08Å; W289-K291 VanDerWaalsContact O-N 3.13Å; W289-K292 PolarHBondContact O-N 3.38Å; W289-H293 WeakPolarHBondContact O-CB 3.47Å; W289-H293 PolarHBondContact O-CD2 3.27Å; W289-H293 PolarHBondContact O-N 3.18Å; W289-I295 HydrophobicContact CB-CD1 4.2Å
290	A	97.2	Very high	96.6	Very high	11 Å²	11	49.3 Å²	49.3	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-25.4	176.4	0	0	0	0	0	114.1	F286 A287 K292 I295 F297 V304	F286-A290 WeakPolarHBondContact O-CB 3.36Å; F286-A290 PolarHBondContact O-N 2.97Å; A287-A290 PolarHBondContact O-N 3.08Å; A290-K292 VanDerWaalsContact C-N 3.35Å; A290-I295 HydrophobicContact CB-CB 4.28Å; A290-F297 HydrophobicContact CB-CD2 4.45Å; A290-F297 HydrophobicContact CB-CE2 3.87Å; A290-V304 HydrophobicContact CB-CG1 3.93Å
291	K	95.5	Very high	96.6	Very high	121 Å²	121	53.7 Å²	53.7	53%	0.526	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.6	174.5	-63.2	176.7	-179.1	-172	0	113.6	K288 W289 V304 S305	K288-K291 PolarHBondContact O-N 3.35Å; W289-K291 PolarHBondContact O-N 3.08Å; W289-K291 VanDerWaalsContact O-N 3.13Å; K291-V304 HydrophobicContact CG-CB 4.46Å; K291-S305 VanDerWaalsContact CE-C 3.45Å; K291-S305 WeakPolarHBondContact CE-O 3.11Å; K291-S305 PolarHBondContact NZ-O 3.32Å; K291-S305 PolarHBondContact NZ-OXT 2.55Å
292	K	94	Very high	96.6	Very high	143 Å²	143	53.7 Å²	53.7	62%	0.622	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-23.2	-174.1	-63.3	-176.6	178.7	-174.6	0	112.9	W289 A290	W289-K292 PolarHBondContact O-N 3.38Å; A290-K292 VanDerWaalsContact C-N 3.35Å
293	H	94.3	Very high	96.1	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.449	29%	0.29	S	S	.	.	S	Bend	trans	-122.8	160.6	-176.1	-60.8	-85.3	0	0	0	110.1	W289 I295	W289-H293 WeakPolarHBondContact O-CB 3.47Å; W289-H293 PolarHBondContact O-CD2 3.27Å; W289-H293 PolarHBondContact O-N 3.18Å; H293-I295 HydrophobicContact CB-CD1 3.91Å; H293-I295 HydrophobicContact CB-CG1 3.83Å; H293-I295 PolarHBondContact O-N 3.49Å
294	R	96.5	Very high	95.3	Very high	146 Å²	146	62.2 Å²	62.2	55%	0.551	31%	0.306	S	S	*	.	S	Bend	trans	-76.7	70.4	175.9	-65.3	-173.2	178.3	95.3	2.3	110.6	Y230 S231 I232	Y230-R294 PolarHBondContact OH-NH1 2.84Å; Y230-R294 PolarHBondContact OH-NH2 2.66Å; Y230-R294 VanDerWaalsContact OH-NH2 3.14Å; S231-R294 WeakPolarHBondContact CA-O 3.48Å; I232-R294 PolarHBondContact N-O 3.5Å
295	I	97.9	Very high	93.4	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.046	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123	179.2	-47.9	176.4	0	0	0	108.8	F222 M226 I232 V234 W289 A290 H293 F297	F222-I295 HydrophobicContact CE1-CG2 4.2Å; M226-I295 HydrophobicContact CG-CD1 4.25Å; M226-I295 HydrophobicContact SD-CD1 4.1Å; I232-I295 HydrophobicContact CB-CG1 4.27Å; I232-I295 HydrophobicContact CB-CG2 4.28Å; I232-I295 HydrophobicContact CD1-CD1 4.41Å; I232-I295 HydrophobicContact CD1-CG1 4.25Å; I232-I295 HydrophobicContact CG2-CG2 4.4Å; I232-I295 CarbonylContact O-C 3.47Å; I232-I295 VanDerWaalsContact O-CA 3.28Å; I232-I295 WeakPolarHBondContact O-CA 3.48Å; V234-I295 HydrophobicContact CG2-CG2 3.79Å; W289-I295 HydrophobicContact CB-CD1 4.2Å; A290-I295 HydrophobicContact CB-CB 4.28Å; H293-I295 HydrophobicContact CB-CD1 3.91Å; H293-I295 HydrophobicContact CB-CG1 3.83Å; H293-I295 PolarHBondContact O-N 3.49Å; I295-F297 HydrophobicContact CB-CE2 4.31Å; I295-F297 HydrophobicContact CG2-CD2 4.15Å; I295-F297 HydrophobicContact CG2-CE2 3.45Å; I295-F297 VanDerWaalsContact CG2-CE2 3.45Å; I295-F297 HydrophobicContact CG2-CZ 3.81Å
296	V	97.8	Very high	93.3	Very high	86 Å²	86	64.9 Å²	64.9	52%	0.521	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	176.3	-177.9	0	0	0	0	108.4	I232 H233 V234 T298	I232-V296 PolarHBondContact O-N 3.36Å; H233-V296 CarbonylContact C-O 3.27Å; V234-V296 PolarHBondContact N-O 3Å; V296-T298 HydrophobicContact CG1-CG2 4.13Å
297	F	98.4	Very high	93	Very high	8 Å²	8	68.1 Å²	68.1	4%	0.035	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.5	176.6	-64.9	-101.5	0	0	0	109.6	F222 V234 M237 F286 A290 I295 N301 W302	F222-F297 AromaticContact CE1-CE1 3.97Å; F222-F297 HydrophobicContact CE1-CE1 3.97Å; F222-F297 AromaticContact CE1-CZ 3.6Å; F222-F297 HydrophobicContact CE1-CZ 3.6Å; F222-F297 AromaticContact CZ-CE1 3.7Å; F222-F297 HydrophobicContact CZ-CE1 3.7Å; F222-F297 AromaticContact CZ-CZ 3.85Å; F222-F297 HydrophobicContact CZ-CZ 3.85Å; V234-F297 HydrophobicContact CB-CD1 3.6Å; V234-F297 HydrophobicContact CB-CE1 3.9Å; V234-F297 HydrophobicContact CB-CG 4.15Å; V234-F297 HydrophobicContact CG1-CD1 3.69Å; V234-F297 HydrophobicContact CG1-CE1 3.83Å; V234-F297 HydrophobicContact CG2-CD1 4.01Å; V234-F297 HydrophobicContact CG2-CE1 3.85Å; V234-F297 HydrophobicContact CG2-CG 4.49Å; V234-F297 HydrophobicContact CG2-CZ 4.18Å; V234-F297 WeakPolarHBondContact O-CA 3.47Å; M237-F297 HydrophobicContact CB-CD1 4.26Å; M237-F297 HydrophobicContact SD-CD1 4.4Å; M237-F297 HydrophobicContact SD-CE1 3.84Å; F286-F297 HydrophobicContact CB-CZ 3.97Å; A290-F297 HydrophobicContact CB-CD2 4.45Å; A290-F297 HydrophobicContact CB-CE2 3.87Å; I295-F297 HydrophobicContact CB-CE2 4.31Å; I295-F297 HydrophobicContact CG2-CD2 4.15Å; I295-F297 HydrophobicContact CG2-CE2 3.45Å; I295-F297 VanDerWaalsContact CG2-CE2 3.45Å; I295-F297 HydrophobicContact CG2-CZ 3.81Å; F297-N301 WeakPolarHBondContact O-CA 3.19Å; F297-W302 HydrophobicContact CB-CB 3.87Å; F297-W302 VanDerWaalsContact CB-CD1 3.45Å; F297-W302 HydrophobicContact CB-CD2 3.73Å; F297-W302 HydrophobicContact CB-CE3 4.5Å; F297-W302 HydrophobicContact CB-CG 3.42Å; F297-W302 VanDerWaalsContact CB-CG 3.42Å; F297-W302 AromaticContact CD1-CD2 3.77Å; F297-W302 HydrophobicContact CD1-CD2 3.77Å; F297-W302 AromaticContact CD1-CE2 3.47Å; F297-W302 VanDerWaalsContact CD1-CE2 3.47Å; F297-W302 HydrophobicContact CD1-CE3 4.08Å; F297-W302 HydrophobicContact CD1-CG 4.38Å; F297-W302 AromaticContact CD1-CH2 3.89Å; F297-W302 HydrophobicContact CD1-CH2 3.89Å; F297-W302 AromaticContact CD1-CZ2 3.52Å; F297-W302 HydrophobicContact CD1-CZ2 3.52Å; F297-W302 HydrophobicContact CD1-CZ3 4.15Å; F297-W302 AromaticContact CD1-NE1 3.94Å; F297-W302 HydrophobicContact CD2-CB 4.49Å; F297-W302 AromaticContact CD2-CD2 3.89Å; F297-W302 HydrophobicContact CD2-CD2 3.89Å; F297-W302 AromaticContact CD2-CE3 3.8Å; F297-W302 HydrophobicContact CD2-CE3 3.8Å; F297-W302 HydrophobicContact CD2-CG 4.24Å; F297-W302 HydrophobicContact CD2-CZ3 4.31Å; F297-W302 HydrophobicContact CE1-CD2 4.32Å; F297-W302 HydrophobicContact CE1-CE3 4.2Å; F297-W302 AromaticContact CE1-CH2 3.56Å; F297-W302 HydrophobicContact CE1-CH2 3.56Å; F297-W302 AromaticContact CE1-CZ2 3.66Å; F297-W302 HydrophobicContact CE1-CZ2 3.66Å; F297-W302 AromaticContact CE1-CZ3 3.85Å; F297-W302 HydrophobicContact CE1-CZ3 3.85Å; F297-W302 HydrophobicContact CE2-CD2 4.45Å; F297-W302 AromaticContact CE2-CE3 3.95Å; F297-W302 HydrophobicContact CE2-CE3 3.95Å; F297-W302 HydrophobicContact CE2-CZ3 4.05Å; F297-W302 HydrophobicContact CG-CB 4.39Å; F297-W302 AromaticContact CG-CD2 3.52Å; F297-W302 HydrophobicContact CG-CD2 3.52Å; F297-W302 AromaticContact CG-CE2 3.71Å; F297-W302 AromaticContact CG-CE3 3.87Å; F297-W302 HydrophobicContact CG-CE3 3.87Å; F297-W302 AromaticContact CG-CG 3.79Å; F297-W302 HydrophobicContact CG-CG 3.79Å; F297-W302 HydrophobicContact CG-CZ2 4.18Å; F297-W302 HydrophobicContact CG-CZ3 4.36Å; F297-W302 HydrophobicContact CZ-CE3 4.14Å; F297-W302 AromaticContact CZ-CH2 3.96Å; F297-W302 HydrophobicContact CZ-CH2 3.96Å; F297-W302 HydrophobicContact CZ-CZ2 4.44Å; F297-W302 AromaticContact CZ-CZ3 3.8Å; F297-W302 HydrophobicContact CZ-CZ3 3.8Å; F297-W302 PolarHBondContact O-N 3.07Å
298	T	97.4	Very high	92.8	Very high	16 Å²	16	71.2 Å²	71.2	10%	0.098	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.7	177.9	63.1	0	0	0	0	111.5	H233 V234 G236 V296 P300 N301	H233-T298 WeakPolarHBondContact NE2-CG2 3.24Å; H233-T298 PolarHBondContact NE2-OG1 2.77Å; V234-T298 PolarHBondContact O-N 3.49Å; G236-T298 PolarHBondContact N-O 3.43Å; G236-T298 VanDerWaalsContact N-O 3.12Å; V296-T298 HydrophobicContact CG1-CG2 4.13Å; T298-P300 VanDerWaalsContact C-C 3.41Å; T298-P300 CarbonylContact C-O 3.51Å; T298-P300 WeakPolarHBondContact CA-O 3.34Å; T298-N301 WeakPolarHBondContact CA-OD1 3.48Å; T298-N301 WeakPolarHBondContact CB-OD1 3.4Å; T298-N301 WeakPolarHBondContact CG2-OD1 3.34Å
299	H	96.2	Very high	92.6	Very high	44 Å²	44	70.4 Å²	70.4	20%	0.204	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	55.1	177.7	-47.7	80.4	0	0	0	113.1	Q88 Q92 V94 Y235 G236	Q88-H299 WeakPolarHBondContact CB-O 3.32Å; Q92-H299 HydrophobicContact CG-CB 4.19Å; Q92-H299 PolarHBondContact OE1-CD2 2.63Å; V94-H299 WeakPolarHBondContact CG1-NE2 3.45Å; Y235-H299 AromaticContact CD1-ND1 3.78Å; G236-H299 WeakPolarHBondContact CA-O 3.34Å; G236-H299 PolarHBondContact N-O 2.68Å
300	P	96.4	Very high	92.2	Very high	30 Å²	30	74.1 Å²	74.1	20%	0.195	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.9	160.5	10.8	35.4	-37.2	0	0	0	115	I238 Y242 T298	I238-P300 HydrophobicContact CB-CG 4.45Å; I238-P300 HydrophobicContact CG2-CG 4.05Å; Y242-P300 HydrophobicContact CD2-CG 4.08Å; Y242-P300 HydrophobicContact CE2-CB 4.13Å; Y242-P300 HydrophobicContact CE2-CG 3.84Å; T298-P300 VanDerWaalsContact C-C 3.41Å; T298-P300 CarbonylContact C-O 3.51Å; T298-P300 WeakPolarHBondContact CA-O 3.34Å
301	N	95.4	Very high	91.9	Very high	122 Å²	122	78.3 Å²	78.3	65%	0.652	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	137.4	176.8	-67	-9.5	0	0	0	111.5	F297 T298	F297-N301 WeakPolarHBondContact O-CA 3.19Å; T298-N301 WeakPolarHBondContact CA-OD1 3.48Å; T298-N301 WeakPolarHBondContact CB-OD1 3.4Å; T298-N301 WeakPolarHBondContact CG2-OD1 3.34Å
302	W	95.4	Very high	91.7	Very high	23 Å²	23	75.3 Å²	75.3	9%	0.087	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-97.1	130.8	173.8	-67.4	22.5	0	0	0	110.7	M237 I238 N239 K283 F286 A287 F297 V304	M237-W302 HydrophobicContact CB-CZ2 4.2Å; M237-W302 HydrophobicContact CG-CZ2 3.83Å; M237-W302 PolarHBondContact O-NE1 2.94Å; M237-W302 HydrophobicContact SD-CH2 4.14Å; M237-W302 HydrophobicContact SD-CZ2 3.97Å; I238-W302 VanDerWaalsContact C-CZ2 3.47Å; I238-W302 WeakPolarHBondContact O-CZ2 3.42Å; N239-W302 HydrophobicContact CB-CD2 3.61Å; N239-W302 HydrophobicContact CB-CE3 4.06Å; N239-W302 HydrophobicContact CB-CG 3.88Å; N239-W302 HydrophobicContact CB-CZ2 4.15Å; N239-W302 HydrophobicContact CB-CZ3 4.49Å; K283-W302 HydrophobicContact CB-CH2 4.07Å; K283-W302 HydrophobicContact CG-CH2 4.15Å; F286-W302 HydrophobicContact CB-CH2 4.11Å; F286-W302 HydrophobicContact CB-CZ3 4.06Å; A287-W302 HydrophobicContact CB-CE3 4.11Å; A287-W302 HydrophobicContact CB-CZ3 3.97Å; F297-W302 HydrophobicContact CB-CB 3.87Å; F297-W302 VanDerWaalsContact CB-CD1 3.45Å; F297-W302 HydrophobicContact CB-CD2 3.73Å; F297-W302 HydrophobicContact CB-CE3 4.5Å; F297-W302 HydrophobicContact CB-CG 3.42Å; F297-W302 VanDerWaalsContact CB-CG 3.42Å; F297-W302 AromaticContact CD1-CD2 3.77Å; F297-W302 HydrophobicContact CD1-CD2 3.77Å; F297-W302 AromaticContact CD1-CE2 3.47Å; F297-W302 VanDerWaalsContact CD1-CE2 3.47Å; F297-W302 HydrophobicContact CD1-CE3 4.08Å; F297-W302 HydrophobicContact CD1-CG 4.38Å; F297-W302 AromaticContact CD1-CH2 3.89Å; F297-W302 HydrophobicContact CD1-CH2 3.89Å; F297-W302 AromaticContact CD1-CZ2 3.52Å; F297-W302 HydrophobicContact CD1-CZ2 3.52Å; F297-W302 HydrophobicContact CD1-CZ3 4.15Å; F297-W302 AromaticContact CD1-NE1 3.94Å; F297-W302 HydrophobicContact CD2-CB 4.49Å; F297-W302 AromaticContact CD2-CD2 3.89Å; F297-W302 HydrophobicContact CD2-CD2 3.89Å; F297-W302 AromaticContact CD2-CE3 3.8Å; F297-W302 HydrophobicContact CD2-CE3 3.8Å; F297-W302 HydrophobicContact CD2-CG 4.24Å; F297-W302 HydrophobicContact CD2-CZ3 4.31Å; F297-W302 HydrophobicContact CE1-CD2 4.32Å; F297-W302 HydrophobicContact CE1-CE3 4.2Å; F297-W302 AromaticContact CE1-CH2 3.56Å; F297-W302 HydrophobicContact CE1-CH2 3.56Å; F297-W302 AromaticContact CE1-CZ2 3.66Å; F297-W302 HydrophobicContact CE1-CZ2 3.66Å; F297-W302 AromaticContact CE1-CZ3 3.85Å; F297-W302 HydrophobicContact CE1-CZ3 3.85Å; F297-W302 HydrophobicContact CE2-CD2 4.45Å; F297-W302 AromaticContact CE2-CE3 3.95Å; F297-W302 HydrophobicContact CE2-CE3 3.95Å; F297-W302 HydrophobicContact CE2-CZ3 4.05Å; F297-W302 HydrophobicContact CG-CB 4.39Å; F297-W302 AromaticContact CG-CD2 3.52Å; F297-W302 HydrophobicContact CG-CD2 3.52Å; F297-W302 AromaticContact CG-CE2 3.71Å; F297-W302 AromaticContact CG-CE3 3.87Å; F297-W302 HydrophobicContact CG-CE3 3.87Å; F297-W302 AromaticContact CG-CG 3.79Å; F297-W302 HydrophobicContact CG-CG 3.79Å; F297-W302 HydrophobicContact CG-CZ2 4.18Å; F297-W302 HydrophobicContact CG-CZ3 4.36Å; F297-W302 HydrophobicContact CZ-CE3 4.14Å; F297-W302 AromaticContact CZ-CH2 3.96Å; F297-W302 HydrophobicContact CZ-CH2 3.96Å; F297-W302 HydrophobicContact CZ-CZ2 4.44Å; F297-W302 AromaticContact CZ-CZ3 3.8Å; F297-W302 HydrophobicContact CZ-CZ3 3.8Å; F297-W302 PolarHBondContact O-N 3.07Å; W302-V304 HydrophobicContact CB-CG1 4.33Å; W302-V304 PolarHBondContact O-N 3.28Å
303	T	85.9	Confident	91.5	Very high	128 Å²	128	70.1 Å²	70.1	79%	0.785	38%	0.383	S	S	*	.			trans	-85.4	103.7	165.4	-52	0	0	0	0	108.8	S305	T303-S305 PolarHBondContact O-N 3.47Å
304	V	80.4	Confident	91.2	Very high	61 Å²	61	67.8 Å²	67.8	37%	0.37	38%	0.378	S	S	.	.			trans	-95.6	83	176.8	-70.8	0	0	0	0	109.6	A290 K291 W302	A290-V304 HydrophobicContact CB-CG1 3.93Å; K291-V304 HydrophobicContact CG-CB 4.46Å; W302-V304 HydrophobicContact CB-CG1 4.33Å; W302-V304 PolarHBondContact O-N 3.28Å
305	S	57	Low	90.8	Very high	141 Å²	141	60.7 Å²	60.7	99%	0.986	36%	0.362	S	S	*	.			trans	-84.2	0	173.4	63	0	0	0	0	111.2	K291 T303	K291-S305 VanDerWaalsContact CE-C 3.45Å; K291-S305 WeakPolarHBondContact CE-O 3.11Å; K291-S305 PolarHBondContact NZ-O 3.32Å; K291-S305 PolarHBondContact NZ-OXT 2.55Å; T303-S305 PolarHBondContact O-N 3.47Å

Retrieved 305 of 305 residues in 231.7 ms (Link to these results)

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