A0A5K4F8W9_SCHMA Loading...

5'-AMP-activated protein kinase subunit gamma-1

AlphaFold DB , UniProt , Accession A0A5K4F8W9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 401 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	30.4	Very low	31.5	Very low	244 Å²	244	153.5 Å²	153.5	100%	1.202	84%	0.839	S	S	*	*				0	111.2	0	-81.7	-164.5	-95.1	0	0	106.3
2	E	25.8	Very low	32.1	Very low	195 Å²	195	151.9 Å²	151.9	91%	0.911	82%	0.821	S	S	*	*			trans	52.2	117.2	175.4	-63.5	174.6	170.2	0	0	116.4
3	C	26.4	Very low	32.9	Very low	126 Å²	126	152.5 Å²	152.5	85%	0.851	81%	0.811	S	S	*	*			cis	-148.8	117.7	16.4	-89.6	0	0	0	0	107.6
4	L	27.1	Very low	33.4	Very low	168 Å²	168	149.3 Å²	149.3	88%	0.88	79%	0.793	S	S	*	*			trans	-138.6	86	171	-111.5	153.4	0	0	0	103.8
5	N	29.2	Very low	34.1	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	78%	0.781	S	S	*	*			trans	173.3	75.9	166.5	-88.6	-20.2	0	0	0	112.2
6	T	31	Very low	34.7	Very low	137 Å²	137	147.5 Å²	147.5	84%	0.84	77%	0.773	S	S	*	*			trans	-166.8	75.6	156.9	7.9	0	0	0	0	111
7	L	30.1	Very low	34.9	Very low	172 Å²	172	144.8 Å²	144.8	90%	0.901	76%	0.759	S	S	*	*			trans	-126	22.3	179.3	-104.2	164.7	0	0	0	113.8
8	T	33.5	Very low	35.3	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	74%	0.743	S	S	*	*	S	Bend	trans	-130	20.6	-171.2	46.5	0	0	0	0	116.1
9	R	34.8	Very low	35.9	Very low	209 Å²	209	138.3 Å²	138.3	79%	0.789	73%	0.726	S	S	*	*			trans	-120.7	16.5	-174.1	-94.2	-174.8	172.9	-179.4	-0.7	117.8
10	S	41.4	Very low	36.2	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	72%	0.716	S	S	*	*	S	Bend	trans	-99.6	-9.4	176.6	55.7	0	0	0	0	115
11	G	37.3	Very low	36.5	Very low	49 Å²	49	134.9 Å²	134.9	51%	0.505	70%	0.702	S	S	.	*	S	Bend	trans	-79.8	-37.7	-179.7	0	0	0	0	0	114.6	K13 L14 E15	G11-K13 PolarHBondContact O-N 2.83Å; G11-L14 PolarHBondContact O-N 2.96Å; G11-E15 PolarHBondContact O-N 2.87Å
12	E	38.2	Very low	37.3	Very low	134 Å²	134	132.5 Å²	132.5	63%	0.626	68%	0.68	S	S	*	*	H	α-helix	trans	-69.3	-33.5	-173.5	-67.5	175	152	0	0	112.8	L14 E15 E16	E12-L14 PolarHBondContact O-N 3.18Å; E12-E15 PolarHBondContact O-N 3.23Å; E12-E16 PolarHBondContact O-N 3.34Å; E12-E16 VanDerWaalsContact O-N 3.13Å
13	K	43	Very low	38.1	Very low	159 Å²	159	133.3 Å²	133.3	69%	0.691	68%	0.675	S	S	*	*	H	α-helix	trans	-71.7	-26.5	175.9	-76	-172.9	175.8	-176.6	0	113.7	G11 L17	G11-K13 PolarHBondContact O-N 2.83Å; K13-L17 WeakPolarHBondContact O-CB 3.35Å; K13-L17 PolarHBondContact O-N 2.77Å
14	L	39.3	Very low	38.5	Very low	108 Å²	108	131.2 Å²	131.2	57%	0.565	66%	0.655	S	S	*	*	H	α-helix	trans	-77.5	-34.1	176.3	-99.5	154.8	0	0	0	111.6	G11 E12 N18	G11-L14 PolarHBondContact O-N 2.96Å; E12-L14 PolarHBondContact O-N 3.18Å; L14-N18 WeakPolarHBondContact O-CB 3.37Å; L14-N18 PolarHBondContact O-N 2.94Å; L14-N18 PolarHBondContact O-ND2 2.74Å
15	E	43.4	Very low	39	Very low	131 Å²	131	130.3 Å²	130.3	61%	0.612	64%	0.644	S	S	*	*	H	α-helix	trans	-70.2	-40.3	172.6	-100.1	-176	159	0	0	112.6	G11 E12 N18 N19	G11-E15 PolarHBondContact O-N 2.87Å; E12-E15 PolarHBondContact O-N 3.23Å; E15-N18 PolarHBondContact O-N 3.37Å; E15-N19 VanDerWaalsContact O-CB 3.3Å; E15-N19 WeakPolarHBondContact O-CB 3.06Å; E15-N19 PolarHBondContact O-N 2.73Å; E15-N19 PolarHBondContact O-ND2 2.92Å
16	E	45	Very low	39.3	Very low	139 Å²	139	126.7 Å²	126.7	65%	0.65	63%	0.631	S	S	*	*	H	α-helix	trans	-63.1	-40.9	174.9	-76.3	-176.1	159.4	0	0	112.3	E12 N19 F20	E12-E16 PolarHBondContact O-N 3.34Å; E12-E16 VanDerWaalsContact O-N 3.13Å; E16-N19 PolarHBondContact O-N 2.79Å; E16-F20 WeakPolarHBondContact O-CB 3.42Å; E16-F20 PolarHBondContact O-N 2.75Å
17	L	38.1	Very low	39.5	Very low	102 Å²	102	127.8 Å²	127.8	53%	0.534	63%	0.632	S	S	.	*	H	α-helix	trans	-67	-41.9	176	-168.6	68.5	0	0	0	111.8	K13 F20 I21	K13-L17 WeakPolarHBondContact O-CB 3.35Å; K13-L17 PolarHBondContact O-N 2.77Å; L17-F20 PolarHBondContact O-N 3.15Å; L17-I21 HydrophobicContact CG-CD1 4.18Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.21Å
18	N	41.1	Very low	39.6	Very low	89 Å²	89	126 Å²	126	48%	0.476	62%	0.623	S	S	.	*	H	α-helix	trans	-66.5	-35.9	175.8	-80.5	-45.3	0	0	0	112.6	L14 E15 R22	L14-N18 WeakPolarHBondContact O-CB 3.37Å; L14-N18 PolarHBondContact O-N 2.94Å; L14-N18 PolarHBondContact O-ND2 2.74Å; E15-N18 PolarHBondContact O-N 3.37Å; N18-R22 WeakPolarHBondContact O-CB 3.49Å; N18-R22 WeakPolarHBondContact O-CG 3.31Å; N18-R22 PolarHBondContact O-N 3.08Å
19	N	47.1	Very low	39.9	Very low	76 Å²	76	124.3 Å²	124.3	41%	0.406	61%	0.612	S	S	.	*	H	α-helix	trans	-71.2	-34.9	174.5	-78.6	-30.9	0	0	0	112.2	E15 E16 R22 R23	E15-N19 VanDerWaalsContact O-CB 3.3Å; E15-N19 WeakPolarHBondContact O-CB 3.06Å; E15-N19 PolarHBondContact O-N 2.73Å; E15-N19 PolarHBondContact O-ND2 2.92Å; E16-N19 PolarHBondContact O-N 2.79Å; N19-R22 PolarHBondContact O-N 3.02Å; N19-R23 WeakPolarHBondContact O-CB 3.41Å; N19-R23 WeakPolarHBondContact O-CG 3.46Å; N19-R23 PolarHBondContact O-N 3.15Å
20	F	42.6	Very low	39.9	Very low	121 Å²	121	120.9 Å²	120.9	53%	0.531	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-42.6	173	-175.8	-96.3	0	0	0	111.9	E16 L17 R23 N24	E16-F20 WeakPolarHBondContact O-CB 3.42Å; E16-F20 PolarHBondContact O-N 2.75Å; L17-F20 PolarHBondContact O-N 3.15Å; F20-R23 PolarHBondContact O-N 3.2Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.16Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.44Å; F20-N24 PolarHBondContact O-N 3.3Å; F20-N24 PolarHBondContact O-ND2 2.85Å
21	I	42.8	Very low	39.6	Very low	84 Å²	84	119.2 Å²	119.2	43%	0.431	60%	0.598	S	S	.	*	H	α-helix	trans	-66.3	-39	175.8	-67.3	166.1	0	0	0	111	L17 K25	L17-I21 HydrophobicContact CG-CD1 4.18Å; L17-I21 VanDerWaalsContact O-CG1 3.26Å; L17-I21 WeakPolarHBondContact O-CG1 3.37Å; L17-I21 PolarHBondContact O-N 3.21Å; I21-K25 PolarHBondContact O-N 2.91Å
22	R	46.7	Very low	39.9	Very low	195 Å²	195	118.6 Å²	118.6	74%	0.736	58%	0.583	S	S	*	*	H	α-helix	trans	-66.8	-36.9	175	-79.8	-178.4	179.5	-172.2	0.2	113.3	N18 N19 N24	N18-R22 WeakPolarHBondContact O-CB 3.49Å; N18-R22 WeakPolarHBondContact O-CG 3.31Å; N18-R22 PolarHBondContact O-N 3.08Å; N19-R22 PolarHBondContact O-N 3.02Å; R22-N24 VanDerWaalsContact C-N 3.34Å
23	R	42.6	Very low	40.2	Very low	212 Å²	212	114.6 Å²	114.6	80%	0.8	57%	0.568	S	S	*	*	H	α-helix	trans	-73	-24.3	179.2	-78.2	177.7	-176.3	169.4	2.8	113.8	N19 F20	N19-R23 WeakPolarHBondContact O-CB 3.41Å; N19-R23 WeakPolarHBondContact O-CG 3.46Å; N19-R23 PolarHBondContact O-N 3.15Å; F20-R23 PolarHBondContact O-N 3.2Å
24	N	35.2	Very low	40.3	Very low	82 Å²	82	109 Å²	109	44%	0.439	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.5	-178.8	-68.6	-59.9	0	0	0	113.7	F20 R22 S26	F20-N24 WeakPolarHBondContact CE2-ND2 3.16Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.44Å; F20-N24 PolarHBondContact O-N 3.3Å; F20-N24 PolarHBondContact O-ND2 2.85Å; R22-N24 VanDerWaalsContact C-N 3.34Å; N24-S26 PolarHBondContact O-N 2.95Å; N24-S26 VanDerWaalsContact O-N 3.13Å
25	K	36.6	Very low	40.7	Very low	149 Å²	149	109.7 Å²	109.7	65%	0.648	54%	0.539	S	S	*	.			trans	-73	102.4	166.2	-85.6	-174.5	173.8	-170.6	0	109.1	I21 D27	I21-K25 PolarHBondContact O-N 2.91Å; K25-D27 PolarHBondContact O-N 3.45Å
26	S	35.5	Very low	40.9	Very low	83 Å²	83	106.2 Å²	106.2	58%	0.58	53%	0.525	S	S	*	.			trans	-64.9	122.1	158.3	167.1	0	0	0	0	108.5	N24 N28	N24-S26 PolarHBondContact O-N 2.95Å; N24-S26 VanDerWaalsContact O-N 3.13Å; S26-N28 PolarHBondContact O-N 3.17Å; S26-N28 PolarHBondContact OG-N 2.66Å; S26-N28 PolarHBondContact OG-O 3.05Å
27	D	35.6	Very low	40.9	Very low	161 Å²	161	104.1 Å²	104.1	86%	0.861	52%	0.515	S	S	*	.	S	Bend	trans	-71.9	18	176.6	-73	-37.2	0	0	0	113.8	K25	K25-D27 PolarHBondContact O-N 3.45Å
28	N	32.7	Very low	41.6	Very low	133 Å²	133	105.2 Å²	105.2	71%	0.711	52%	0.522	S	S	*	.			trans	-134.2	103.4	171.2	-101.7	-18.7	0	0	0	108.7	S26	S26-N28 PolarHBondContact O-N 3.17Å; S26-N28 PolarHBondContact OG-N 2.66Å; S26-N28 PolarHBondContact OG-O 3.05Å
29	V	38.3	Very low	41.7	Very low	96 Å²	96	102.7 Å²	102.7	58%	0.582	52%	0.517	S	S	*	.			trans	-106.9	76.9	-175.4	-169.6	0	0	0	0	109.9
30	D	34.9	Very low	41.6	Very low	137 Å²	137	107 Å²	107	73%	0.733	53%	0.527	S	S	*	.	S	Bend	trans	-96.9	4.8	166.4	-76.6	-29.6	0	0	0	112.4
31	S	36.6	Very low	41.8	Very low	64 Å²	64	105 Å²	105	45%	0.448	53%	0.527	S	S	.	.	S	Bend	trans	-153.6	141.1	178	52.6	0	0	0	0	111.7
32	L	42.4	Very low	41.9	Very low	35 Å²	35	103.8 Å²	103.8	18%	0.183	52%	0.521	C	S	.	.	B	Isolated β-bridge	trans	-85.9	114.2	164.9	-105.6	114.8	0	0	0	108	F34 T46 S215	L32-F34 HydrophobicContact CB-CE2 4.04Å; L32-F34 HydrophobicContact CD2-CE1 4.17Å; L32-F34 HydrophobicContact CD2-CE2 3.7Å; L32-F34 HydrophobicContact CD2-CZ 3.48Å; L32-F34 VanDerWaalsContact CD2-CZ 3.48Å; L32-T46 WeakPolarHBondContact O-CA 3.35Å; L32-S215 WeakPolarHBondContact CD1-OG 3.39Å
33	V	44.3	Very low	41.7	Very low	50 Å²	50	99.5 Å²	99.5	30%	0.303	52%	0.521	S	S	.	.			trans	-101.3	112	171.4	-177.5	0	0	0	0	107.9	Y35 P41 T46	V33-Y35 HydrophobicContact CB-CE2 4.22Å; V33-Y35 HydrophobicContact CG1-CD2 4.41Å; V33-Y35 HydrophobicContact CG1-CE1 4.25Å; V33-Y35 HydrophobicContact CG1-CE2 3.97Å; V33-P41 HydrophobicContact CG1-CB 3.57Å; V33-P41 HydrophobicContact CG1-CG 4.17Å; V33-T46 HydrophobicContact CG1-CG2 4.47Å; V33-T46 HydrophobicContact CG2-CG2 4.13Å
34	F	45.9	Very low	41.4	Very low	42 Å²	42	94.8 Å²	94.8	18%	0.184	51%	0.509	C	S	.	.			trans	-87.5	131.8	169.2	-64.1	-95.5	0	0	0	108.5	L32 N42 L45 V62	L32-F34 HydrophobicContact CB-CE2 4.04Å; L32-F34 HydrophobicContact CD2-CE1 4.17Å; L32-F34 HydrophobicContact CD2-CE2 3.7Å; L32-F34 HydrophobicContact CD2-CZ 3.48Å; L32-F34 VanDerWaalsContact CD2-CZ 3.48Å; F34-N42 WeakPolarHBondContact O-CA 3.42Å; F34-N42 WeakPolarHBondContact O-CB 3.44Å; F34-N42 PolarHBondContact O-N 3.18Å; F34-L45 HydrophobicContact CB-CB 3.69Å; F34-L45 HydrophobicContact CB-CD1 3.55Å; F34-L45 HydrophobicContact CB-CG 4.25Å; F34-L45 HydrophobicContact CD2-CB 3.6Å; F34-L45 HydrophobicContact CD2-CD1 4.46Å; F34-L45 HydrophobicContact CD2-CG 4.46Å; F34-L45 VanDerWaalsContact CD2-O 3.31Å; F34-L45 WeakPolarHBondContact CD2-O 3.39Å; F34-L45 HydrophobicContact CG-CB 3.95Å; F34-L45 HydrophobicContact CG-CD1 4.04Å; F34-V62 HydrophobicContact CE2-CG1 4.42Å
35	Y	47.3	Very low	41.5	Very low	123 Å²	123	92.4 Å²	92.4	48%	0.482	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-93.8	143.2	179.8	-66.6	-92.2	0	0	0	110.3	V33 G39 R40 P41	V33-Y35 HydrophobicContact CB-CE2 4.22Å; V33-Y35 HydrophobicContact CG1-CD2 4.41Å; V33-Y35 HydrophobicContact CG1-CE1 4.25Å; V33-Y35 HydrophobicContact CG1-CE2 3.97Å; Y35-G39 VanDerWaalsContact CD1-O 3.29Å; Y35-G39 WeakPolarHBondContact CD1-O 3.31Å; Y35-R40 CarbonylContact C-O 3.47Å; Y35-R40 VanDerWaalsContact CA-O 3.29Å; Y35-R40 WeakPolarHBondContact CA-O 3.31Å; Y35-P41 HydrophobicContact CE1-CG 4.07Å
36	D	48.1	Very low	41.3	Very low	57 Å²	57	88.4 Å²	88.4	31%	0.305	49%	0.485	S	S	.	.			trans	-75.2	-176.9	167.8	71.2	12.9	0	0	0	111.5	D38 G39 R40	D36-D38 PolarHBondContact O-N 3.03Å; D36-D38 WeakPolarHBondContact OD1-CA 3.28Å; D36-D38 WeakPolarHBondContact OD1-CB 3.5Å; D36-D38 PolarHBondContact OD1-N 3.03Å; D36-G39 PolarHBondContact O-N 3.14Å; D36-G39 VanDerWaalsContact O-N 3.07Å; D36-G39 PolarHBondContact OD1-N 3.2Å; D36-G39 VanDerWaalsContact OD1-N 3.12Å; D36-R40 PolarHBondContact N-O 3.3Å; D36-R40 WeakPolarHBondContact OD1-CB 3.44Å; D36-R40 PolarHBondContact OD1-N 3.12Å
37	Q	44.8	Very low	41.6	Very low	95 Å²	95	86.1 Å²	86.1	44%	0.444	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-176.8	-53.7	172.4	-1.7	0	0	112.2	F391 T393	Q37-F391 PolarHBondContact NE2-O 3.33Å; Q37-T393 WeakPolarHBondContact CG-OG1 3.4Å; Q37-T393 VanDerWaalsContact NE2-N 3.15Å; Q37-T393 PolarHBondContact NE2-OG1 2.86Å; Q37-T393 PolarHBondContact OE1-OG1 2.95Å
38	D	52	Low	41.7	Very low	126 Å²	126	86.4 Å²	86.4	67%	0.674	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	7.2	178.8	-61.7	-37.8	0	0	0	111.9	D36 R40	D36-D38 PolarHBondContact O-N 3.03Å; D36-D38 WeakPolarHBondContact OD1-CA 3.28Å; D36-D38 WeakPolarHBondContact OD1-CB 3.5Å; D36-D38 PolarHBondContact OD1-N 3.03Å; D38-R40 VanDerWaalsContact C-N 3.27Å; D38-R40 HydrophobicContact CB-CG 4.39Å; D38-R40 PolarHBondContact O-N 3.41Å
39	G	43.8	Very low	41.9	Very low	36 Å²	36	83.9 Å²	83.9	37%	0.371	45%	0.454	S	S	.	.	S	Bend	trans	70.5	21.1	-178.8	0	0	0	0	0	113.5	Y35 D36	Y35-G39 VanDerWaalsContact CD1-O 3.29Å; Y35-G39 WeakPolarHBondContact CD1-O 3.31Å; D36-G39 PolarHBondContact O-N 3.14Å; D36-G39 VanDerWaalsContact O-N 3.07Å; D36-G39 PolarHBondContact OD1-N 3.2Å; D36-G39 VanDerWaalsContact OD1-N 3.12Å
40	R	45	Very low	41.7	Very low	165 Å²	165	85.2 Å²	85.2	62%	0.623	46%	0.457	S	S	*	.			trans	-92.9	140	175.1	-60.8	177.1	173.1	166.9	0	110.1	Y35 D36 D38 N42	Y35-R40 CarbonylContact C-O 3.47Å; Y35-R40 VanDerWaalsContact CA-O 3.29Å; Y35-R40 WeakPolarHBondContact CA-O 3.31Å; D36-R40 PolarHBondContact N-O 3.3Å; D36-R40 WeakPolarHBondContact OD1-CB 3.44Å; D36-R40 PolarHBondContact OD1-N 3.12Å; D38-R40 VanDerWaalsContact C-N 3.27Å; D38-R40 HydrophobicContact CB-CG 4.39Å; D38-R40 PolarHBondContact O-N 3.41Å; R40-N42 PolarHBondContact O-N 3.01Å
41	P	47.5	Very low	41.7	Very low	81 Å²	81	80.9 Å²	80.9	53%	0.526	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-51.6	116.7	169.2	-24.5	33.2	0	0	0	109.7	V33 Y35 S43	V33-P41 HydrophobicContact CG1-CB 3.57Å; V33-P41 HydrophobicContact CG1-CG 4.17Å; Y35-P41 HydrophobicContact CE1-CG 4.07Å; P41-S43 PolarHBondContact O-N 3.48Å
42	N	45	Very low	42	Very low	58 Å²	58	83.6 Å²	83.6	31%	0.31	46%	0.464	S	S	.	.			trans	-75	97.8	173.5	-165.1	-14.8	0	0	0	107.1	F34 R40 M44 L45 T46	F34-N42 WeakPolarHBondContact O-CA 3.42Å; F34-N42 WeakPolarHBondContact O-CB 3.44Å; F34-N42 PolarHBondContact O-N 3.18Å; R40-N42 PolarHBondContact O-N 3.01Å; N42-M44 PolarHBondContact O-N 3.25Å; N42-L45 HydrophobicContact CB-CB 4.31Å; N42-L45 HydrophobicContact CB-CD1 4.07Å; N42-L45 HydrophobicContact CB-CG 4.44Å; N42-L45 WeakPolarHBondContact ND2-CD1 3.46Å; N42-L45 PolarHBondContact O-N 2.9Å; N42-T46 PolarHBondContact O-N 3.36Å
43	S	42.1	Very low	42.1	Very low	104 Å²	104	86.5 Å²	86.5	73%	0.727	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.7	-176.6	57.2	0	0	0	0	113.7	P41 T46	P41-S43 PolarHBondContact O-N 3.48Å; S43-T46 PolarHBondContact O-OG1 3.09Å; S43-T46 VanDerWaalsContact O-OG1 3.08Å
44	M	35.6	Very low	42.3	Very low	114 Å²	114	89.7 Å²	89.7	56%	0.562	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.6	174.3	-142.8	179.4	94.9	0	0	113.5	N42 M388	N42-M44 PolarHBondContact O-N 3.25Å; M44-M388 HydrophobicContact CE-CE 4.12Å; M44-M388 HydrophobicContact SD-CE 4.23Å
45	L	38.4	Very low	42.6	Very low	31 Å²	31	89.8 Å²	89.8	16%	0.162	50%	0.504	C	S	.	.	S	Bend	trans	-116.5	1.5	-175.7	-69.4	172.3	0	0	0	113.1	F34 N42 V47 Y66	F34-L45 HydrophobicContact CB-CB 3.69Å; F34-L45 HydrophobicContact CB-CD1 3.55Å; F34-L45 HydrophobicContact CB-CG 4.25Å; F34-L45 HydrophobicContact CD2-CB 3.6Å; F34-L45 HydrophobicContact CD2-CD1 4.46Å; F34-L45 HydrophobicContact CD2-CG 4.46Å; F34-L45 VanDerWaalsContact CD2-O 3.31Å; F34-L45 WeakPolarHBondContact CD2-O 3.39Å; F34-L45 HydrophobicContact CG-CB 3.95Å; F34-L45 HydrophobicContact CG-CD1 4.04Å; N42-L45 HydrophobicContact CB-CB 4.31Å; N42-L45 HydrophobicContact CB-CD1 4.07Å; N42-L45 HydrophobicContact CB-CG 4.44Å; N42-L45 WeakPolarHBondContact ND2-CD1 3.46Å; N42-L45 PolarHBondContact O-N 2.9Å; L45-V47 PolarHBondContact O-N 3.12Å; L45-Y66 HydrophobicContact CD2-CD1 3.52Å; L45-Y66 HydrophobicContact CD2-CD2 4.02Å; L45-Y66 HydrophobicContact CD2-CE1 3.91Å; L45-Y66 HydrophobicContact CD2-CE2 4.4Å; L45-Y66 HydrophobicContact CD2-CG 3.57Å
46	T	32.2	Very low	43	Very low	66 Å²	66	86.3 Å²	86.3	41%	0.405	49%	0.493	S	S	.	.			trans	-69.4	110.5	168.8	37	0	0	0	0	109.8	L32 V33 N42 S43	L32-T46 WeakPolarHBondContact O-CA 3.35Å; V33-T46 HydrophobicContact CG1-CG2 4.47Å; V33-T46 HydrophobicContact CG2-CG2 4.13Å; N42-T46 PolarHBondContact O-N 3.36Å; S43-T46 PolarHBondContact O-OG1 3.09Å; S43-T46 VanDerWaalsContact O-OG1 3.08Å
47	V	42.2	Very low	43.6	Very low	34 Å²	34	87.7 Å²	87.7	21%	0.206	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-95.5	117	176.4	178.9	0	0	0	0	109.5	L45 V62	L45-V47 PolarHBondContact O-N 3.12Å; V47-V62 HydrophobicContact CG1-CG2 4.07Å; V47-V62 HydrophobicContact CG2-CB 4.41Å; V47-V62 HydrophobicContact CG2-CG1 3.6Å; V47-V62 HydrophobicContact CG2-CG2 3.88Å
48	E	35.7	Very low	44.8	Very low	168 Å²	168	84.1 Å²	84.1	79%	0.785	48%	0.479	S	S	*	.			trans	-73.7	140.2	165.9	-66.5	-174.2	168	0	0	110	L50	E48-L50 PolarHBondContact O-N 3.5Å
49	P	37.1	Very low	46.4	Very low	80 Å²	80	78.6 Å²	78.6	52%	0.519	45%	0.451	S	S	.	.			trans	-72.4	112.3	-175.4	27.1	-31.1	0	0	0	111.4	G51	P49-G51 PolarHBondContact O-N 3.03Å
50	L	35.6	Very low	48.5	Very low	124 Å²	124	77.5 Å²	77.5	65%	0.649	44%	0.435	S	S	*	.			trans	-72.4	117.6	157.6	-78.9	138.9	0	0	0	108.4	E48 S55	E48-L50 PolarHBondContact O-N 3.5Å; L50-S55 WeakPolarHBondContact O-CA 3.21Å; L50-S55 WeakPolarHBondContact O-CB 3.36Å; L50-S55 PolarHBondContact O-N 3.34Å; L50-S55 VanDerWaalsContact O-N 3.1Å
51	G	34.1	Very low	50.6	Low	46 Å²	46	72.7 Å²	72.7	47%	0.474	42%	0.418	S	S	.	.			trans	49.8	124.4	159.9	0	0	0	0	0	118.9	P49 S53 E54 S55	P49-G51 PolarHBondContact O-N 3.03Å; G51-S53 VanDerWaalsContact C-N 3.26Å; G51-S53 PolarHBondContact O-N 3.27Å; G51-E54 PolarHBondContact O-N 3.09Å; G51-S55 WeakPolarHBondContact O-CB 3.48Å; G51-S55 PolarHBondContact O-N 2.89Å
52	S	42.6	Very low	52.5	Low	120 Å²	120	69.4 Å²	69.4	84%	0.839	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-17.9	-171.3	61.8	0	0	0	0	119.5
53	S	45.4	Very low	54.7	Low	96 Å²	96	66.7 Å²	66.7	67%	0.671	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-24.3	173.5	60	0	0	0	0	114	G51	G51-S53 VanDerWaalsContact C-N 3.26Å; G51-S53 PolarHBondContact O-N 3.27Å
54	E	47.8	Very low	57.1	Low	118 Å²	118	61.8 Å²	61.8	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-85.5	-31.2	178.3	-71.1	179.8	159.5	0	0	111.5	G51 E56 R57 S58	G51-E54 PolarHBondContact O-N 3.09Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.06Å; E54-R57 PolarHBondContact O-N 3.5Å; E54-S58 PolarHBondContact O-N 2.91Å
55	S	52.6	Low	59.8	Low	44 Å²	44	61 Å²	61	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-52	-39.5	178.6	165.8	0	0	0	0	113.5	L50 G51 S58	L50-S55 WeakPolarHBondContact O-CA 3.21Å; L50-S55 WeakPolarHBondContact O-CB 3.36Å; L50-S55 PolarHBondContact O-N 3.34Å; L50-S55 VanDerWaalsContact O-N 3.1Å; G51-S55 WeakPolarHBondContact O-CB 3.48Å; G51-S55 PolarHBondContact O-N 2.89Å; S55-S58 WeakPolarHBondContact O-CB 3.49Å; S55-S58 PolarHBondContact O-N 3.38Å
56	E	54.7	Low	62.4	Low	50 Å²	50	64.4 Å²	64.4	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-70.9	-45.5	-176.9	-65.1	-171.9	-174.9	0	0	111.7	E54 S58 S59 V217 K218 F219	E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.06Å; E56-S58 PolarHBondContact O-N 3.15Å; E56-S59 PolarHBondContact O-N 3.16Å; E56-S59 PolarHBondContact O-OG 2.84Å; E56-V217 HydrophobicContact CB-CB 4.26Å; E56-V217 HydrophobicContact CB-CG1 4.03Å; E56-V217 WeakPolarHBondContact O-CG1 3.47Å; E56-K218 WeakPolarHBondContact OE1-CD 3.19Å; E56-K218 WeakPolarHBondContact OE1-CG 3.2Å; E56-K218 WeakPolarHBondContact OE2-CB 3.44Å; E56-K218 PolarHBondContact OE2-N 3.45Å; E56-F219 HydrophobicContact CB-CD1 4.1Å; E56-F219 HydrophobicContact CB-CE1 4.25Å
57	R	62.5	Low	65.3	Low	85 Å²	85	63.2 Å²	63.2	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-26.4	174	-66	-176.1	-176.4	162.3	4.6	111.5	E54 S59 Y60 Y61 F219 N360	E54-R57 PolarHBondContact O-N 3.5Å; R57-S59 PolarHBondContact O-N 3.22Å; R57-Y60 PolarHBondContact O-N 3.21Å; R57-Y61 WeakPolarHBondContact O-CB 3.32Å; R57-Y61 PolarHBondContact O-N 3.09Å; R57-Y61 VanDerWaalsContact O-N 3.09Å; R57-F219 HydrophobicContact CG-CD1 4.28Å; R57-F219 HydrophobicContact CG-CE1 4.01Å; R57-N360 PolarHBondContact NH1-OD1 3.06Å
58	S	69.1	Low	67.9	Low	21 Å²	21	63.4 Å²	63.4	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-54.6	-35.6	175.7	-164.4	0	0	0	0	112	E54 S55 E56 Y60 Y61 V62	E54-S58 PolarHBondContact O-N 2.91Å; S55-S58 WeakPolarHBondContact O-CB 3.49Å; S55-S58 PolarHBondContact O-N 3.38Å; E56-S58 PolarHBondContact O-N 3.15Å; S58-Y60 PolarHBondContact O-N 3.39Å; S58-Y61 PolarHBondContact O-N 3.18Å; S58-V62 WeakPolarHBondContact O-CB 3.14Å; S58-V62 WeakPolarHBondContact O-CG2 3.49Å; S58-V62 PolarHBondContact O-N 3.34Å
59	S	85.1	Confident	70.9	Confident	10 Å²	10	55.4 Å²	55.4	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-46.4	-179.9	63.6	0	0	0	0	113.6	E56 R57 F63 V217	E56-S59 PolarHBondContact O-N 3.16Å; E56-S59 PolarHBondContact O-OG 2.84Å; R57-S59 PolarHBondContact O-N 3.22Å; S59-F63 VanDerWaalsContact O-CB 3.23Å; S59-F63 WeakPolarHBondContact O-CB 3.43Å; S59-F63 PolarHBondContact O-N 3.24Å; S59-V217 WeakPolarHBondContact OG-CG1 3.38Å
60	Y	88.5	Confident	73.6	Confident	13 Å²	13	57.9 Å²	57.9	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-41	176.3	-75.1	-100.2	0	0	0	111.3	R57 S58 F63 L64 L207 L214 V217 F219 M220 L358	R57-Y60 PolarHBondContact O-N 3.21Å; S58-Y60 PolarHBondContact O-N 3.39Å; Y60-F63 PolarHBondContact O-N 3.05Å; Y60-L64 WeakPolarHBondContact O-CG 3.12Å; Y60-L64 PolarHBondContact O-N 3.1Å; Y60-L207 HydrophobicContact CD1-CD1 4.44Å; Y60-L207 HydrophobicContact CD1-CD2 4.11Å; Y60-L214 HydrophobicContact CD1-CD1 3.79Å; Y60-L214 HydrophobicContact CD2-CD1 4.5Å; Y60-L214 HydrophobicContact CE1-CD1 3.32Å; Y60-L214 HydrophobicContact CE2-CD1 4.07Å; Y60-L214 HydrophobicContact CG-CD1 4.34Å; Y60-L214 VanDerWaalsContact CZ-CD1 3.44Å; Y60-V217 HydrophobicContact CE2-CG1 4.25Å; Y60-V217 HydrophobicContact CE2-CG2 3.78Å; Y60-F219 AromaticContact CD2-CZ 3.78Å; Y60-F219 HydrophobicContact CD2-CZ 3.78Å; Y60-F219 AromaticContact CE2-CZ 3.85Å; Y60-F219 HydrophobicContact CE2-CZ 3.85Å; Y60-M220 HydrophobicContact CE1-CE 3.66Å; Y60-M220 HydrophobicContact CE2-CE 3.89Å; Y60-M220 WeakPolarHBondContact OH-CE 3.28Å; Y60-L358 HydrophobicContact CD1-CD1 4.01Å; Y60-L358 HydrophobicContact CD1-CD2 3.88Å; Y60-L358 HydrophobicContact CD1-CG 4.36Å; Y60-L358 HydrophobicContact CD2-CD2 4.44Å; Y60-L358 HydrophobicContact CE1-CD1 4.33Å; Y60-L358 HydrophobicContact CE1-CD2 4.2Å; Y60-L358 HydrophobicContact CG-CD2 4.03Å
61	Y	88.1	Confident	76.5	Confident	64 Å²	64	55.3 Å²	55.3	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-52.1	176.8	175.3	-85.1	0	0	0	111.7	R57 S58 F63 L64 K65 L170	R57-Y61 WeakPolarHBondContact O-CB 3.32Å; R57-Y61 PolarHBondContact O-N 3.09Å; R57-Y61 VanDerWaalsContact O-N 3.09Å; S58-Y61 PolarHBondContact O-N 3.18Å; Y61-F63 VanDerWaalsContact C-N 3.34Å; Y61-F63 PolarHBondContact O-N 3.07Å; Y61-L64 PolarHBondContact O-N 3.48Å; Y61-K65 HydrophobicContact CE1-CD 3.95Å; Y61-K65 WeakPolarHBondContact O-CB 3.28Å; Y61-K65 PolarHBondContact O-N 3.38Å; Y61-L170 HydrophobicContact CD2-CD1 3.85Å; Y61-L170 HydrophobicContact CD2-CD2 3.95Å; Y61-L170 HydrophobicContact CE1-CD2 4.1Å; Y61-L170 HydrophobicContact CE2-CD1 3.93Å; Y61-L170 HydrophobicContact CE2-CD2 3.39Å; Y61-L170 HydrophobicContact CE2-CG 4.29Å; Y61-L170 VanDerWaalsContact CZ-CD2 3.46Å
62	V	87.7	Confident	79.4	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-47.9	176.4	165.8	0	0	0	0	109.5	F34 V47 S58 L64 K65 Y66	F34-V62 HydrophobicContact CE2-CG1 4.42Å; V47-V62 HydrophobicContact CG1-CG2 4.07Å; V47-V62 HydrophobicContact CG2-CB 4.41Å; V47-V62 HydrophobicContact CG2-CG1 3.6Å; V47-V62 HydrophobicContact CG2-CG2 3.88Å; S58-V62 WeakPolarHBondContact O-CB 3.14Å; S58-V62 WeakPolarHBondContact O-CG2 3.49Å; S58-V62 PolarHBondContact O-N 3.34Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.42Å; V62-K65 WeakPolarHBondContact O-CB 3.39Å; V62-K65 PolarHBondContact O-N 3.45Å; V62-K65 VanDerWaalsContact O-N 3.09Å; V62-Y66 HydrophobicContact CG1-CD2 3.68Å; V62-Y66 HydrophobicContact CG1-CE2 3.89Å; V62-Y66 VanDerWaalsContact O-CD2 3.23Å; V62-Y66 WeakPolarHBondContact O-CD2 3.5Å; V62-Y66 PolarHBondContact O-N 2.64Å
63	F	91.4	Very high	81.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-47.8	178.3	-176.9	-85.5	0	0	0	111.6	S59 Y60 Y61 K65 Y66 H67 Y206 L207 N210 L214	S59-F63 VanDerWaalsContact O-CB 3.23Å; S59-F63 WeakPolarHBondContact O-CB 3.43Å; S59-F63 PolarHBondContact O-N 3.24Å; Y60-F63 PolarHBondContact O-N 3.05Å; Y61-F63 VanDerWaalsContact C-N 3.34Å; Y61-F63 PolarHBondContact O-N 3.07Å; F63-K65 VanDerWaalsContact C-N 3.32Å; F63-K65 PolarHBondContact O-N 3.23Å; F63-Y66 PolarHBondContact O-N 2.82Å; F63-H67 AromaticContact CD1-ND1 3.86Å; F63-H67 AromaticContact CD2-CE1 3.53Å; F63-H67 AromaticContact CD2-ND1 3.81Å; F63-H67 AromaticContact CE1-ND1 3.78Å; F63-H67 AromaticContact CE2-CE1 3.19Å; F63-H67 WeakPolarHBondContact CE2-CE1 3.09Å; F63-H67 AromaticContact CE2-ND1 3.73Å; F63-H67 AromaticContact CE2-NE2 3.77Å; F63-H67 AromaticContact CG-ND1 3.87Å; F63-H67 AromaticContact CZ-CE1 3.44Å; F63-H67 VanDerWaalsContact CZ-CE1 3.44Å; F63-H67 WeakPolarHBondContact CZ-CE1 3.27Å; F63-H67 AromaticContact CZ-ND1 3.7Å; F63-H67 AromaticContact CZ-NE2 3.73Å; F63-H67 PolarHBondContact O-N 3.45Å; F63-H67 VanDerWaalsContact O-N 3.14Å; F63-H67 PolarHBondContact O-ND1 2.76Å; F63-Y206 AromaticContact CE1-CD1 3.75Å; F63-Y206 HydrophobicContact CE1-CD1 3.75Å; F63-Y206 AromaticContact CE1-CE1 3.49Å; F63-Y206 HydrophobicContact CE1-CE1 3.49Å; F63-Y206 VanDerWaalsContact CE1-CE1 3.49Å; F63-Y206 HydrophobicContact CZ-CD1 4.16Å; F63-Y206 AromaticContact CZ-CE1 3.6Å; F63-Y206 HydrophobicContact CZ-CE1 3.6Å; F63-L207 HydrophobicContact CD1-CD2 3.48Å; F63-L207 VanDerWaalsContact CD1-CD2 3.48Å; F63-L207 HydrophobicContact CE1-CD2 3.82Å; F63-L207 HydrophobicContact CG-CD2 4.42Å; F63-N210 HydrophobicContact CE1-CB 4.38Å; F63-N210 HydrophobicContact CE2-CB 3.79Å; F63-N210 HydrophobicContact CZ-CB 3.43Å; F63-N210 VanDerWaalsContact CZ-CB 3.43Å; F63-L214 HydrophobicContact CB-CD2 3.51Å; F63-L214 HydrophobicContact CD1-CD2 4.37Å; F63-L214 HydrophobicContact CD2-CD2 3.45Å; F63-L214 VanDerWaalsContact CD2-CD2 3.45Å; F63-L214 HydrophobicContact CE2-CD2 4.27Å; F63-L214 HydrophobicContact CG-CD2 3.52Å
64	L	92.9	Very high	84	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-30	177.3	-70	173.9	0	0	0	113.1	Y60 Y61 V62 H67 L169 L170 I203 L207 L355 T359	Y60-L64 WeakPolarHBondContact O-CG 3.12Å; Y60-L64 PolarHBondContact O-N 3.1Å; Y61-L64 PolarHBondContact O-N 3.48Å; V62-L64 VanDerWaalsContact C-N 3.33Å; V62-L64 PolarHBondContact O-N 3.42Å; L64-H67 VanDerWaalsContact O-O 3.14Å; L64-L169 HydrophobicContact CB-CB 4.33Å; L64-L169 HydrophobicContact CD2-CB 3.72Å; L64-L169 HydrophobicContact CD2-CD1 4.19Å; L64-L169 WeakPolarHBondContact O-CB 3.46Å; L64-L169 PolarHBondContact O-N 3.06Å; L64-L169 VanDerWaalsContact O-N 3.12Å; L64-L170 HydrophobicContact CB-CB 3.99Å; L64-L170 PolarHBondContact O-N 3.33Å; L64-I203 HydrophobicContact CD2-CG2 3.9Å; L64-L207 HydrophobicContact CD1-CD1 4.33Å; L64-L207 HydrophobicContact CD2-CD1 4.19Å; L64-L207 HydrophobicContact CD2-CD2 3.88Å; L64-L207 HydrophobicContact CD2-CG 4.13Å; L64-L207 HydrophobicContact CG-CD2 4.07Å; L64-L355 HydrophobicContact CD1-CD1 4.41Å; L64-T359 HydrophobicContact CD1-CG2 3.64Å
65	K	92	Very high	86	Confident	99 Å²	99	50.7 Å²	50.7	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-69.6	-38.3	178	-175.8	173.5	179.2	175.8	0	112.3	Y61 V62 F63 S168 L170	Y61-K65 HydrophobicContact CE1-CD 3.95Å; Y61-K65 WeakPolarHBondContact O-CB 3.28Å; Y61-K65 PolarHBondContact O-N 3.38Å; V62-K65 WeakPolarHBondContact O-CB 3.39Å; V62-K65 PolarHBondContact O-N 3.45Å; V62-K65 VanDerWaalsContact O-N 3.09Å; F63-K65 VanDerWaalsContact C-N 3.32Å; F63-K65 PolarHBondContact O-N 3.23Å; K65-S168 WeakPolarHBondContact O-CB 3.12Å; K65-L170 HydrophobicContact CB-CB 4.45Å; K65-L170 HydrophobicContact CB-CD2 4.04Å; K65-L170 HydrophobicContact CG-CD2 4.36Å
66	Y	92.3	Very high	87.9	Confident	102 Å²	102	53.9 Å²	53.9	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-96.2	-6	-176.1	-70.2	-73.6	0	0	0	114.6	L45 V62 F63	L45-Y66 HydrophobicContact CD2-CD1 3.52Å; L45-Y66 HydrophobicContact CD2-CD2 4.02Å; L45-Y66 HydrophobicContact CD2-CE1 3.91Å; L45-Y66 HydrophobicContact CD2-CE2 4.4Å; L45-Y66 HydrophobicContact CD2-CG 3.57Å; V62-Y66 HydrophobicContact CG1-CD2 3.68Å; V62-Y66 HydrophobicContact CG1-CE2 3.89Å; V62-Y66 VanDerWaalsContact O-CD2 3.23Å; V62-Y66 WeakPolarHBondContact O-CD2 3.5Å; V62-Y66 PolarHBondContact O-N 2.64Å; F63-Y66 PolarHBondContact O-N 2.82Å
67	H	94.4	Very high	89.6	Confident	41 Å²	41	54 Å²	54	19%	0.19	27%	0.271	C	S	.	.	S	Bend	trans	-98.5	150.2	166.9	-70.2	79.5	0	0	0	110.6	F63 L64 D71 S168 L169 Y206	F63-H67 AromaticContact CD1-ND1 3.86Å; F63-H67 AromaticContact CD2-CE1 3.53Å; F63-H67 AromaticContact CD2-ND1 3.81Å; F63-H67 AromaticContact CE1-ND1 3.78Å; F63-H67 AromaticContact CE2-CE1 3.19Å; F63-H67 WeakPolarHBondContact CE2-CE1 3.09Å; F63-H67 AromaticContact CE2-ND1 3.73Å; F63-H67 AromaticContact CE2-NE2 3.77Å; F63-H67 AromaticContact CG-ND1 3.87Å; F63-H67 AromaticContact CZ-CE1 3.44Å; F63-H67 VanDerWaalsContact CZ-CE1 3.44Å; F63-H67 WeakPolarHBondContact CZ-CE1 3.27Å; F63-H67 AromaticContact CZ-ND1 3.7Å; F63-H67 AromaticContact CZ-NE2 3.73Å; F63-H67 PolarHBondContact O-N 3.45Å; F63-H67 VanDerWaalsContact O-N 3.14Å; F63-H67 PolarHBondContact O-ND1 2.76Å; L64-H67 VanDerWaalsContact O-O 3.14Å; H67-D71 IonicContact CD2-OD2 3.94Å; H67-S168 CarbonylContact O-C 3.43Å; H67-S168 WeakPolarHBondContact O-CA 3.32Å; H67-L169 HydrophobicContact CB-CD1 3.63Å; H67-L169 HydrophobicContact CB-CG 4.17Å; H67-L169 PolarHBondContact O-N 2.98Å; H67-Y206 HydrophobicContact CB-CE1 4.29Å; H67-Y206 AromaticContact CD2-CE1 3.81Å; H67-Y206 AromaticContact CD2-CZ 3.82Å; H67-Y206 PolarHBondContact CD2-OH 2.77Å; H67-Y206 PolarHBondContact NE2-OH 2.84Å
68	T	97.2	Very high	91	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.233	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-110.7	163.8	-173.5	65.5	0	0	0	0	111.7	Y70 D71 P165 C167 L169	T68-Y70 PolarHBondContact O-N 2.73Å; T68-Y70 WeakPolarHBondContact OG1-CB 3.39Å; T68-D71 PolarHBondContact N-OD2 2.9Å; T68-D71 WeakPolarHBondContact O-CB 3.24Å; T68-D71 PolarHBondContact O-N 2.78Å; T68-D71 VanDerWaalsContact O-N 3.13Å; T68-D71 PolarHBondContact OG1-OD2 2.78Å; T68-P165 WeakPolarHBondContact CB-O 3.27Å; T68-C167 CarbonylContact C-O 3.56Å; T68-C167 WeakPolarHBondContact CA-O 3.08Å; T68-L169 WeakPolarHBondContact O-CD2 3.23Å
69	C	96.9	Very high	92.2	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.5	-30.1	172	-70.4	0	0	0	0	112.4	D71 L72 L73 P165 C167 A172 I186	C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.13Å; C69-L72 PolarHBondContact O-N 3.32Å; C69-L73 PolarHBondContact O-N 2.65Å; C69-P165 CarbonylContact C-O 3.57Å; C69-P165 PolarHBondContact N-O 3.11Å; C69-C167 PolarHBondContact N-O 3.38Å; C69-C167 PolarHBondContact SG-O 3.43Å; C69-C167 VanDerWaalsContact SG-O 3.33Å; C69-A172 VanDerWaalsContact SG-CB 3.55Å; C69-I186 HydrophobicContact CB-CD1 3.91Å; C69-I186 HydrophobicContact CB-CG1 4.24Å; C69-I186 HydrophobicContact CB-CG2 4.44Å
70	Y	95.9	Very high	92.7	Very high	132 Å²	132	58.1 Å²	58.1	52%	0.518	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.9	-40.1	174.8	-175.2	-93.6	0	0	0	112.4	T68 L72 L73 P165	T68-Y70 PolarHBondContact O-N 2.73Å; T68-Y70 WeakPolarHBondContact OG1-CB 3.39Å; Y70-L72 PolarHBondContact O-N 2.83Å; Y70-L72 VanDerWaalsContact O-N 3.11Å; Y70-L73 HydrophobicContact CD2-CD1 3.78Å; Y70-L73 HydrophobicContact CE2-CD1 4.31Å; Y70-L73 HydrophobicContact CG-CD1 4.45Å; Y70-L73 WeakPolarHBondContact O-CB 3.44Å; Y70-L73 PolarHBondContact O-N 3.4Å; Y70-P165 WeakPolarHBondContact CB-O 3.41Å; Y70-P165 HydrophobicContact CD2-CB 4.18Å; Y70-P165 PolarHBondContact N-O 3.04Å
71	D	94.9	Very high	93	Very high	70 Å²	70	60.4 Å²	60.4	37%	0.374	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.7	-179.7	-57.7	-48.2	0	0	0	112.6	H67 T68 C69	H67-D71 IonicContact CD2-OD2 3.94Å; T68-D71 PolarHBondContact N-OD2 2.9Å; T68-D71 WeakPolarHBondContact O-CB 3.24Å; T68-D71 PolarHBondContact O-N 2.78Å; T68-D71 VanDerWaalsContact O-N 3.13Å; T68-D71 PolarHBondContact OG1-OD2 2.78Å; C69-D71 VanDerWaalsContact C-N 3.33Å; C69-D71 PolarHBondContact O-N 3.13Å
72	L	94.7	Very high	93.4	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-92.6	-7.8	174.4	-89.2	64.3	0	0	0	112.7	C69 Y70 L169 L198 R202 I203 Y206	C69-L72 PolarHBondContact O-N 3.32Å; Y70-L72 PolarHBondContact O-N 2.83Å; Y70-L72 VanDerWaalsContact O-N 3.11Å; L72-L169 HydrophobicContact CD1-CD1 3.3Å; L72-L169 HydrophobicContact CD1-CD2 3.75Å; L72-L169 HydrophobicContact CD1-CG 4.09Å; L72-L169 HydrophobicContact CD2-CD1 4.32Å; L72-L169 HydrophobicContact CD2-CD2 3.8Å; L72-L169 HydrophobicContact CG-CD1 4.43Å; L72-L169 HydrophobicContact CG-CD2 4.23Å; L72-L198 HydrophobicContact CB-CD1 4.19Å; L72-L198 HydrophobicContact CD2-CD1 3.51Å; L72-L198 HydrophobicContact CG-CD1 4.5Å; L72-R202 HydrophobicContact CD2-CG 4.16Å; L72-R202 HydrophobicContact CG-CG 4.44Å; L72-R202 PolarHBondContact O-NE 2.98Å; L72-R202 PolarHBondContact O-NH2 3.09Å; L72-I203 HydrophobicContact CD2-CB 4.42Å; L72-I203 HydrophobicContact CD2-CG1 3.84Å; L72-Y206 HydrophobicContact CD1-CD1 3.54Å; L72-Y206 HydrophobicContact CD1-CD2 3.67Å; L72-Y206 HydrophobicContact CD1-CE1 3.84Å; L72-Y206 HydrophobicContact CD1-CE2 3.95Å; L72-Y206 HydrophobicContact CD1-CG 3.44Å; L72-Y206 VanDerWaalsContact CD1-CG 3.44Å; L72-Y206 HydrophobicContact CG-CD2 4.22Å; L72-Y206 HydrophobicContact CG-CG 4.05Å
73	L	93.9	Very high	93.8	Very high	41 Å²	41	60 Å²	60	22%	0.215	31%	0.308	C	S	.	.	S	Bend	trans	-67.5	133.8	176.1	-62.9	178.4	0	0	0	109.9	C69 Y70 I186 L195 H196	C69-L73 PolarHBondContact O-N 2.65Å; Y70-L73 HydrophobicContact CD2-CD1 3.78Å; Y70-L73 HydrophobicContact CE2-CD1 4.31Å; Y70-L73 HydrophobicContact CG-CD1 4.45Å; Y70-L73 WeakPolarHBondContact O-CB 3.44Å; Y70-L73 PolarHBondContact O-N 3.4Å; L73-I186 HydrophobicContact CD2-CD1 3.7Å; L73-L195 HydrophobicContact CD1-CD1 4.35Å; L73-L195 HydrophobicContact CD2-CB 4.49Å; L73-H196 HydrophobicContact CD2-CB 3.41Å; L73-H196 VanDerWaalsContact CD2-CB 3.41Å
74	P	92.4	Very high	93.9	Very high	43 Å²	43	60.2 Å²	60.2	28%	0.279	31%	0.309	S	S	.	.			trans	-71.9	157	171.1	31.6	-29.5	0	0	0	109.6	S76 A77 H196 R202	P74-S76 WeakPolarHBondContact CB-O 3.34Å; P74-S76 WeakPolarHBondContact CG-O 3.18Å; P74-S76 PolarHBondContact O-N 2.74Å; P74-A77 HydrophobicContact CG-CB 3.44Å; P74-A77 VanDerWaalsContact CG-CB 3.44Å; P74-H196 WeakPolarHBondContact CD-CD2 3.39Å; P74-R202 VanDerWaalsContact N-NH2 3.12Å
75	E	90.1	Very high	94	Very high	193 Å²	193	66.1 Å²	66.1	90%	0.902	34%	0.337	S	S	*	.	S	Bend	trans	-57.9	-33.4	174.5	-61.6	-174.7	167.3	0	0	112.6
76	S	92.3	Very high	94.1	Very high	110 Å²	110	64 Å²	64	77%	0.769	33%	0.33	S	S	*	.	S	Bend	trans	-140.2	134.2	172.3	-174.7	0	0	0	0	109.9	P74	P74-S76 WeakPolarHBondContact CB-O 3.34Å; P74-S76 WeakPolarHBondContact CG-O 3.18Å; P74-S76 PolarHBondContact O-N 2.74Å
77	A	89.1	Confident	94	Very high	53 Å²	53	60.1 Å²	60.1	44%	0.438	32%	0.318	S	S	.	.			trans	-140	153.5	174.6	0	0	0	0	0	111.2	P74 H196	P74-A77 HydrophobicContact CG-CB 3.44Å; P74-A77 VanDerWaalsContact CG-CB 3.44Å; A77-H196 VanDerWaalsContact CB-CD2 3.5Å; A77-H196 WeakPolarHBondContact CB-CD2 3.46Å
78	K	92.2	Very high	93.8	Very high	137 Å²	137	58.4 Å²	58.4	60%	0.596	31%	0.31	S	S	*	.			trans	-101.4	127.3	165.9	179.2	177.9	178.8	174.8	0	108.7	N98	K78-N98 WeakPolarHBondContact CE-OD1 3.49Å; K78-N98 PolarHBondContact NZ-OD1 3.2Å
79	L	93.9	Very high	93.3	Very high	52 Å²	52	58.7 Å²	58.7	27%	0.272	31%	0.308	S	S	.	.			trans	-114.6	134.8	172.7	-174.3	65.9	0	0	0	109	V81 I104 A194 I197	L79-V81 HydrophobicContact CD2-CG2 4.3Å; L79-V81 HydrophobicContact CG-CG2 4.31Å; L79-I104 HydrophobicContact CD1-CD1 4.13Å; L79-I104 HydrophobicContact CD2-CD1 4.12Å; L79-A194 HydrophobicContact CD2-CB 3.57Å; L79-A194 WeakPolarHBondContact CD2-O 3.3Å; L79-I197 HydrophobicContact CD1-CD1 4.14Å; L79-I197 HydrophobicContact CD1-CG1 3.92Å
80	V	95.5	Very high	93	Very high	13 Å²	13	65 Å²	65	8%	0.079	34%	0.336	C	S	.	.			trans	-103.4	121.3	175.1	179.6	0	0	0	0	108.2	L82 N98 V100 A103 I104	V80-L82 HydrophobicContact CG1-CD2 3.86Å; V80-L82 HydrophobicContact CG1-CG 4.15Å; V80-N98 HydrophobicContact CG2-CB 3.76Å; V80-V100 HydrophobicContact CB-CG2 4.11Å; V80-V100 HydrophobicContact CG2-CG1 4.05Å; V80-V100 HydrophobicContact CG2-CG2 3.75Å; V80-A103 HydrophobicContact CB-CB 4.2Å; V80-A103 HydrophobicContact CG1-CB 3.91Å; V80-A103 WeakPolarHBondContact O-CA 3.41Å; V80-A103 WeakPolarHBondContact O-CB 3.49Å; V80-I104 PolarHBondContact O-N 2.88Å; V80-I104 VanDerWaalsContact O-N 3.15Å
81	V	96.2	Very high	92.8	Very high	62 Å²	62	58.8 Å²	58.8	38%	0.376	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	173.5	-175.6	0	0	0	0	107.4	L79 I104 W106 Y113	L79-V81 HydrophobicContact CD2-CG2 4.3Å; L79-V81 HydrophobicContact CG-CG2 4.31Å; V81-I104 CarbonylContact C-O 3.51Å; V81-I104 VanDerWaalsContact CA-O 3.31Å; V81-I104 WeakPolarHBondContact CA-O 3.38Å; V81-W106 HydrophobicContact CG1-CB 3.71Å; V81-Y113 HydrophobicContact CG1-CE1 4.24Å
82	L	96.5	Very high	92.5	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.8	-178.6	-58.1	176.5	0	0	0	109.7	V80 L86 A91 A94 A103 I104 L105 W106 L117 I145	V80-L82 HydrophobicContact CG1-CD2 3.86Å; V80-L82 HydrophobicContact CG1-CG 4.15Å; L82-L86 HydrophobicContact CB-CD2 4.42Å; L82-L86 HydrophobicContact CD2-CD2 3.92Å; L82-A91 HydrophobicContact CD1-CB 3.89Å; L82-A94 HydrophobicContact CD2-CB 4.01Å; L82-A103 HydrophobicContact CD1-CB 3.72Å; L82-A103 HydrophobicContact CG-CB 3.81Å; L82-I104 PolarHBondContact N-O 2.92Å; L82-L105 HydrophobicContact CB-CD2 4.14Å; L82-L105 WeakPolarHBondContact O-CA 3.25Å; L82-W106 PolarHBondContact O-N 3.02Å; L82-L117 HydrophobicContact CD1-CD2 4.06Å; L82-I145 HydrophobicContact CB-CD1 4.34Å
83	D	96.3	Very high	92.3	Very high	52 Å²	52	58.5 Å²	58.5	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.8	170.8	-166.7	-70.7	0	0	0	110.1	E85 L86 W106 S108	D83-E85 PolarHBondContact O-N 2.83Å; D83-E85 WeakPolarHBondContact OD1-CB 3.42Å; D83-E85 PolarHBondContact OD1-N 3.12Å; D83-L86 VanDerWaalsContact O-CB 3.23Å; D83-L86 WeakPolarHBondContact O-CB 3.12Å; D83-L86 PolarHBondContact O-N 3.08Å; D83-L86 VanDerWaalsContact O-N 3.08Å; D83-W106 WeakPolarHBondContact CA-O 3.13Å; D83-S108 WeakPolarHBondContact OD2-CB 3.28Å; D83-S108 PolarHBondContact OD2-OG 3.33Å
84	T	93.4	Very high	92.2	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.037	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.3	179.8	50.2	0	0	0	0	113.8	L86 L105 W106 D107 I145 S146	T84-L86 VanDerWaalsContact C-N 3.3Å; T84-L105 HydrophobicContact CG2-CB 4.18Å; T84-W106 PolarHBondContact N-O 2.76Å; T84-D107 HydrophobicContact CG2-CB 4.34Å; T84-I145 WeakPolarHBondContact O-CB 3.37Å; T84-I145 PolarHBondContact O-N 3.02Å; T84-S146 PolarHBondContact O-N 3.2Å; T84-S146 PolarHBondContact O-OG 3.29Å
85	E	93.7	Very high	92.1	Very high	124 Å²	124	55.5 Å²	55.5	58%	0.579	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.5	176.3	-60.7	-52.2	117	0	0	113.2	D83 S146	D83-E85 PolarHBondContact O-N 2.83Å; D83-E85 WeakPolarHBondContact OD1-CB 3.42Å; D83-E85 PolarHBondContact OD1-N 3.12Å; E85-S146 WeakPolarHBondContact OE1-CB 3.36Å; E85-S146 PolarHBondContact OE1-OG 3.04Å
86	L	94	Very high	92	Very high	53 Å²	53	48.1 Å²	48.1	28%	0.277	26%	0.256	S	S	.	.	S	Bend	trans	-64.4	139.9	173.2	-172.3	65.6	0	0	0	110.5	L82 D83 T84 K90 A91 S144 I145	L82-L86 HydrophobicContact CB-CD2 4.42Å; L82-L86 HydrophobicContact CD2-CD2 3.92Å; D83-L86 VanDerWaalsContact O-CB 3.23Å; D83-L86 WeakPolarHBondContact O-CB 3.12Å; D83-L86 PolarHBondContact O-N 3.08Å; D83-L86 VanDerWaalsContact O-N 3.08Å; T84-L86 VanDerWaalsContact C-N 3.3Å; L86-K90 HydrophobicContact CD1-CB 3.86Å; L86-K90 HydrophobicContact CD1-CD 4.09Å; L86-K90 HydrophobicContact CD2-CB 4.4Å; L86-K90 HydrophobicContact CG-CB 4.03Å; L86-A91 HydrophobicContact CD2-CB 4.07Å; L86-S144 WeakPolarHBondContact O-CA 3.46Å; L86-I145 HydrophobicContact CB-CD1 4.22Å; L86-I145 WeakPolarHBondContact O-CG1 3.33Å; L86-I145 PolarHBondContact O-N 3.19Å
87	S	91.7	Very high	92	Very high	22 Å²	22	52.5 Å²	52.5	15%	0.154	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-64.9	143.5	174.2	80.1	0	0	0	0	111.7	K89 K90 A91 S143	S87-K89 VanDerWaalsContact C-N 3.32Å; S87-K89 PolarHBondContact O-N 3.44Å; S87-K90 WeakPolarHBondContact O-CB 3.39Å; S87-K90 PolarHBondContact O-N 2.85Å; S87-K90 WeakPolarHBondContact OG-CG 3.49Å; S87-A91 PolarHBondContact O-N 3.29Å; S87-S143 WeakPolarHBondContact CA-O 3.5Å
88	I	88.2	Confident	92.1	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-43	-174	-65.2	165.8	0	0	0	111.4	K90 A91 F92 V125 F140 S143 S144 I145 W148	I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.23Å; I88-A91 WeakPolarHBondContact O-CB 3.23Å; I88-A91 PolarHBondContact O-N 3.43Å; I88-A91 VanDerWaalsContact O-N 3.15Å; I88-F92 HydrophobicContact CG2-CD2 3.62Å; I88-F92 HydrophobicContact CG2-CE2 3.22Å; I88-F92 HydrophobicContact CG2-CZ 4.25Å; I88-F92 VanDerWaalsContact O-CD2 3.23Å; I88-F92 WeakPolarHBondContact O-CD2 3.21Å; I88-F92 PolarHBondContact O-N 3.24Å; I88-V125 HydrophobicContact CG2-CG1 4.36Å; I88-V125 HydrophobicContact CG2-CG2 4.17Å; I88-F140 HydrophobicContact CG2-CD2 4.09Å; I88-F140 HydrophobicContact CG2-CE2 3.68Å; I88-S143 WeakPolarHBondContact CG1-O 3.18Å; I88-S143 PolarHBondContact N-O 3.37Å; I88-S144 WeakPolarHBondContact CD1-O 3.36Å; I88-I145 HydrophobicContact CG1-CG1 4.42Å; I88-W148 HydrophobicContact CD1-CB 3.28Å; I88-W148 HydrophobicContact CD1-CG 3.65Å; I88-W148 HydrophobicContact CG1-CB 4.28Å
89	K	86.9	Confident	92	Very high	45 Å²	45	52.1 Å²	52.1	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-55	-48.4	173.8	175.8	173.7	173.1	174.6	0	111.9	S87 A91 F92 Y93 F140 E141	S87-K89 VanDerWaalsContact C-N 3.32Å; S87-K89 PolarHBondContact O-N 3.44Å; K89-A91 VanDerWaalsContact C-N 3.32Å; K89-A91 PolarHBondContact O-N 2.92Å; K89-F92 PolarHBondContact O-N 3.48Å; K89-Y93 HydrophobicContact CD-CE2 4.38Å; K89-Y93 HydrophobicContact CG-CD2 4.22Å; K89-Y93 HydrophobicContact CG-CE2 3.84Å; K89-Y93 PolarHBondContact O-N 3.04Å; K89-F140 HydrophobicContact CB-CD1 4.22Å; K89-F140 HydrophobicContact CB-CE1 3.84Å; K89-F140 HydrophobicContact CB-CZ 4.29Å; K89-F140 HydrophobicContact CG-CE1 4.09Å; K89-E141 HydrophobicContact CD-CB 4.02Å; K89-E141 HydrophobicContact CD-CG 3.88Å; K89-E141 IonicContact NZ-OE1 2.73Å; K89-E141 PolarHBondContact NZ-OE1 3.15Å; K89-E141 IonicContact NZ-OE2 2.74Å; K89-E141 PolarHBondContact NZ-OE2 3.06Å
90	K	90.7	Very high	91.8	Very high	133 Å²	133	51.1 Å²	51.1	58%	0.578	25%	0.25	S	C	*	.	H	α-helix	trans	-65.5	-37.1	177.7	-71.8	178.2	-177.4	175.5	0	111.5	L86 S87 I88 Y93 A94	L86-K90 HydrophobicContact CD1-CB 3.86Å; L86-K90 HydrophobicContact CD1-CD 4.09Å; L86-K90 HydrophobicContact CD2-CB 4.4Å; L86-K90 HydrophobicContact CG-CB 4.03Å; S87-K90 WeakPolarHBondContact O-CB 3.39Å; S87-K90 PolarHBondContact O-N 2.85Å; S87-K90 WeakPolarHBondContact OG-CG 3.49Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.23Å; K90-Y93 PolarHBondContact O-N 3.39Å; K90-A94 WeakPolarHBondContact O-CB 3.37Å; K90-A94 PolarHBondContact O-N 3.39Å
91	A	92.2	Very high	91.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-46.7	177.3	0	0	0	0	0	112.2	L82 L86 S87 I88 K89 A94 L95 L117 I145	L82-A91 HydrophobicContact CD1-CB 3.89Å; L86-A91 HydrophobicContact CD2-CB 4.07Å; S87-A91 PolarHBondContact O-N 3.29Å; I88-A91 WeakPolarHBondContact O-CB 3.23Å; I88-A91 PolarHBondContact O-N 3.43Å; I88-A91 VanDerWaalsContact O-N 3.15Å; K89-A91 VanDerWaalsContact C-N 3.32Å; K89-A91 PolarHBondContact O-N 2.92Å; A91-A94 WeakPolarHBondContact O-CB 3.3Å; A91-A94 PolarHBondContact O-N 2.94Å; A91-L95 PolarHBondContact O-N 3.37Å; A91-L117 HydrophobicContact CB-CD2 3.64Å; A91-I145 HydrophobicContact CB-CD1 3.67Å; A91-I145 HydrophobicContact CB-CG1 4.02Å
92	F	89.1	Confident	91.3	Very high	8 Å²	8	52 Å²	52	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-37.1	176.8	-69.4	-55.7	0	0	0	112.9	I88 K89 A94 L95 I96 L117 F122 V125 F140	I88-F92 HydrophobicContact CG2-CD2 3.62Å; I88-F92 HydrophobicContact CG2-CE2 3.22Å; I88-F92 HydrophobicContact CG2-CZ 4.25Å; I88-F92 VanDerWaalsContact O-CD2 3.23Å; I88-F92 WeakPolarHBondContact O-CD2 3.21Å; I88-F92 PolarHBondContact O-N 3.24Å; K89-F92 PolarHBondContact O-N 3.48Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.21Å; F92-L95 HydrophobicContact CD1-CD1 3.98Å; F92-L95 HydrophobicContact CE1-CD1 4.36Å; F92-L95 WeakPolarHBondContact O-CB 3.4Å; F92-L95 PolarHBondContact O-N 3.49Å; F92-I96 WeakPolarHBondContact O-CG1 3.37Å; F92-I96 PolarHBondContact O-N 3.48Å; F92-L117 HydrophobicContact CD1-CD2 4.45Å; F92-L117 HydrophobicContact CE1-CD1 4.1Å; F92-L117 HydrophobicContact CE1-CD2 4.06Å; F92-L117 HydrophobicContact CE1-CG 4.02Å; F92-L117 HydrophobicContact CZ-CD1 3.99Å; F92-L117 HydrophobicContact CZ-CD2 4.46Å; F92-L117 HydrophobicContact CZ-CG 4.4Å; F92-F122 HydrophobicContact CD1-CB 3.9Å; F92-F122 HydrophobicContact CD1-CD2 4.08Å; F92-F122 HydrophobicContact CD1-CG 4.08Å; F92-F122 AromaticContact CD2-CD2 3.42Å; F92-F122 HydrophobicContact CD2-CD2 3.42Å; F92-F122 VanDerWaalsContact CD2-CD2 3.42Å; F92-F122 AromaticContact CD2-CE2 3.97Å; F92-F122 HydrophobicContact CD2-CE2 3.97Å; F92-F122 HydrophobicContact CD2-CG 4.23Å; F92-F122 HydrophobicContact CE1-CB 3.41Å; F92-F122 VanDerWaalsContact CE1-CB 3.41Å; F92-F122 HydrophobicContact CE1-CD2 4.15Å; F92-F122 HydrophobicContact CE1-CG 4.05Å; F92-F122 HydrophobicContact CE2-CB 4.02Å; F92-F122 AromaticContact CE2-CD2 3.4Å; F92-F122 HydrophobicContact CE2-CD2 3.4Å; F92-F122 VanDerWaalsContact CE2-CD2 3.4Å; F92-F122 HydrophobicContact CE2-CE2 4.31Å; F92-F122 HydrophobicContact CE2-CG 4.11Å; F92-F122 HydrophobicContact CG-CB 4.46Å; F92-F122 AromaticContact CG-CD2 3.77Å; F92-F122 HydrophobicContact CG-CD2 3.77Å; F92-F122 HydrophobicContact CG-CE2 4.33Å; F92-F122 HydrophobicContact CG-CG 4.22Å; F92-F122 HydrophobicContact CZ-CB 3.48Å; F92-F122 VanDerWaalsContact CZ-CB 3.48Å; F92-F122 AromaticContact CZ-CD2 3.82Å; F92-F122 HydrophobicContact CZ-CD2 3.82Å; F92-F122 HydrophobicContact CZ-CG 4.06Å; F92-V125 HydrophobicContact CE2-CG2 4.17Å; F92-V125 HydrophobicContact CZ-CG2 4.43Å; F92-F140 AromaticContact CD2-CE2 3.87Å; F92-F140 HydrophobicContact CD2-CE2 3.87Å; F92-F140 AromaticContact CD2-CZ 3.92Å; F92-F140 HydrophobicContact CD2-CZ 3.92Å; F92-F140 HydrophobicContact CE2-CE2 4.09Å
93	Y	89.2	Confident	91.3	Very high	62 Å²	62	51.2 Å²	51.2	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-37.2	170.4	-71.8	-11.9	0	0	0	112.3	K89 K90 I96 Y97 A283	K89-Y93 HydrophobicContact CD-CE2 4.38Å; K89-Y93 HydrophobicContact CG-CD2 4.22Å; K89-Y93 HydrophobicContact CG-CE2 3.84Å; K89-Y93 PolarHBondContact O-N 3.04Å; K90-Y93 PolarHBondContact O-N 3.39Å; Y93-I96 HydrophobicContact CD1-CD1 4.33Å; Y93-I96 PolarHBondContact O-N 2.95Å; Y93-Y97 VanDerWaalsContact O-CB 3.28Å; Y93-Y97 WeakPolarHBondContact O-CB 3.37Å; Y93-Y97 PolarHBondContact O-N 3.47Å; Y93-A283 WeakPolarHBondContact CE1-O 3.3Å
94	A	92.2	Very high	91.2	Very high	20 Å²	20	48.8 Å²	48.8	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-40.7	173.5	0	0	0	0	0	111.4	L82 K90 A91 F92 I96 N98	L82-A94 HydrophobicContact CD2-CB 4.01Å; K90-A94 WeakPolarHBondContact O-CB 3.37Å; K90-A94 PolarHBondContact O-N 3.39Å; A91-A94 WeakPolarHBondContact O-CB 3.3Å; A91-A94 PolarHBondContact O-N 2.94Å; F92-A94 VanDerWaalsContact C-N 3.29Å; F92-A94 PolarHBondContact O-N 3.21Å; A94-I96 PolarHBondContact O-N 3.26Å; A94-N98 VanDerWaalsContact O-CB 3.3Å; A94-N98 WeakPolarHBondContact O-CB 3.26Å; A94-N98 PolarHBondContact O-N 3.32Å; A94-N98 VanDerWaalsContact O-N 3.07Å; A94-N98 PolarHBondContact O-ND2 3.07Å
95	L	91.4	Very high	91.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-46.1	174.8	-65.6	-175.3	0	0	0	111.8	A91 F92 N99 V100 A103 L117	A91-L95 PolarHBondContact O-N 3.37Å; F92-L95 HydrophobicContact CD1-CD1 3.98Å; F92-L95 HydrophobicContact CE1-CD1 4.36Å; F92-L95 WeakPolarHBondContact O-CB 3.4Å; F92-L95 PolarHBondContact O-N 3.49Å; L95-N99 PolarHBondContact O-N 3.45Å; L95-N99 VanDerWaalsContact O-N 3.09Å; L95-V100 HydrophobicContact CB-CG2 4.34Å; L95-V100 HydrophobicContact CD2-CG2 3.66Å; L95-V100 PolarHBondContact O-N 2.75Å; L95-A103 HydrophobicContact CD2-CB 3.54Å; L95-L117 HydrophobicContact CD1-CD2 4.41Å
96	I	88.1	Confident	91.4	Very high	39 Å²	39	45.6 Å²	45.6	20%	0.2	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-53.5	179	-71.1	163	0	0	0	111.3	F92 Y93 A94 N98 N99 I280 A283 I284	F92-I96 WeakPolarHBondContact O-CG1 3.37Å; F92-I96 PolarHBondContact O-N 3.48Å; Y93-I96 HydrophobicContact CD1-CD1 4.33Å; Y93-I96 PolarHBondContact O-N 2.95Å; A94-I96 PolarHBondContact O-N 3.26Å; I96-N98 PolarHBondContact O-N 2.92Å; I96-N99 WeakPolarHBondContact O-CA 3.34Å; I96-N99 PolarHBondContact O-N 3.09Å; I96-I280 HydrophobicContact CD1-CG1 4.07Å; I96-I280 HydrophobicContact CG1-CD1 3.75Å; I96-I280 HydrophobicContact CG1-CG1 3.69Å; I96-A283 HydrophobicContact CD1-CB 3.5Å; I96-I284 HydrophobicContact CB-CG1 4.46Å; I96-I284 HydrophobicContact CD1-CG1 3.73Å; I96-I284 HydrophobicContact CG1-CG1 3.99Å; I96-I284 HydrophobicContact CG2-CD1 4.06Å; I96-I284 HydrophobicContact CG2-CG1 3.62Å
97	Y	91	Very high	91.3	Very high	202 Å²	202	43.7 Å²	43.7	79%	0.792	20%	0.202	S	C	*	.	H	α-helix	trans	-60.6	-34.2	-175.9	-173.8	-96.3	0	0	0	111.7	Y93 N99	Y93-Y97 VanDerWaalsContact O-CB 3.28Å; Y93-Y97 WeakPolarHBondContact O-CB 3.37Å; Y93-Y97 PolarHBondContact O-N 3.47Å; Y97-N99 VanDerWaalsContact C-N 3.34Å
98	N	91.7	Very high	91.5	Very high	43 Å²	43	45.2 Å²	45.2	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.4	177.2	-66	-72.1	0	0	0	113.5	K78 V80 A94 I96 V100	K78-N98 WeakPolarHBondContact CE-OD1 3.49Å; K78-N98 PolarHBondContact NZ-OD1 3.2Å; V80-N98 HydrophobicContact CG2-CB 3.76Å; A94-N98 VanDerWaalsContact O-CB 3.3Å; A94-N98 WeakPolarHBondContact O-CB 3.26Å; A94-N98 PolarHBondContact O-N 3.32Å; A94-N98 VanDerWaalsContact O-N 3.07Å; A94-N98 PolarHBondContact O-ND2 3.07Å; I96-N98 PolarHBondContact O-N 2.92Å; N98-V100 HydrophobicContact CB-CG1 4.49Å; N98-V100 HydrophobicContact CB-CG2 4.09Å; N98-V100 PolarHBondContact O-N 3.05Å
99	N	89.4	Confident	91.8	Very high	138 Å²	138	50 Å²	50	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	40.4	-176.2	-166.8	25.4	0	0	0	113.3	L95 I96 Y97	L95-N99 PolarHBondContact O-N 3.45Å; L95-N99 VanDerWaalsContact O-N 3.09Å; I96-N99 WeakPolarHBondContact O-CA 3.34Å; I96-N99 PolarHBondContact O-N 3.09Å; Y97-N99 VanDerWaalsContact C-N 3.34Å
100	V	90.8	Very high	92	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.188	27%	0.266	C	S	.	.			trans	-111.6	151	177.3	-65.8	0	0	0	0	110.6	V80 L95 N98	V80-V100 HydrophobicContact CB-CG2 4.11Å; V80-V100 HydrophobicContact CG2-CG1 4.05Å; V80-V100 HydrophobicContact CG2-CG2 3.75Å; L95-V100 HydrophobicContact CB-CG2 4.34Å; L95-V100 HydrophobicContact CD2-CG2 3.66Å; L95-V100 PolarHBondContact O-N 2.75Å; N98-V100 HydrophobicContact CB-CG1 4.49Å; N98-V100 HydrophobicContact CB-CG2 4.09Å; N98-V100 PolarHBondContact O-N 3.05Å
101	R	88.6	Confident	92.1	Very high	85 Å²	85	54.3 Å²	54.3	32%	0.321	27%	0.267	S	S	.	.	S	Bend	trans	-101	-4	-176.8	-63.9	179.5	178.9	172.4	0.7	113.7	I119 F277 H334	R101-I119 HydrophobicContact CB-CD1 4.3Å; R101-I119 HydrophobicContact CG-CD1 4.39Å; R101-F277 HydrophobicContact CG-CD2 4.09Å; R101-F277 HydrophobicContact CG-CE2 4.03Å; R101-F277 VanDerWaalsContact NE-CD2 3.33Å; R101-F277 VanDerWaalsContact NE-CE2 3.3Å; R101-H334 PolarHBondContact NH1-NE2 3.07Å
102	A	93.1	Very high	92.1	Very high	8 Å²	8	56.5 Å²	56.5	7%	0.066	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	153	177.8	0	0	0	0	0	109.4	I116 L117 T118 R183 I197	A102-I116 HydrophobicContact CB-CG2 3.84Å; A102-L117 CarbonylContact C-O 3.4Å; A102-L117 WeakPolarHBondContact CA-O 3.23Å; A102-T118 HydrophobicContact CB-CG2 4.32Å; A102-R183 HydrophobicContact CB-CG 3.98Å; A102-I197 HydrophobicContact CB-CD1 4.21Å
103	A	95.4	Very high	92.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.7	170.1	0	0	0	0	0	109.8	V80 L82 L95 I116 L117	V80-A103 HydrophobicContact CB-CB 4.2Å; V80-A103 HydrophobicContact CG1-CB 3.91Å; V80-A103 WeakPolarHBondContact O-CA 3.41Å; V80-A103 WeakPolarHBondContact O-CB 3.49Å; L82-A103 HydrophobicContact CD1-CB 3.72Å; L82-A103 HydrophobicContact CG-CB 3.81Å; L95-A103 HydrophobicContact CD2-CB 3.54Å; A103-I116 CarbonylContact O-C 3.59Å; A103-I116 WeakPolarHBondContact O-CA 3.34Å; A103-I116 WeakPolarHBondContact O-CG2 3.43Å; A103-L117 PolarHBondContact N-O 2.99Å; A103-L117 PolarHBondContact O-N 3.15Å
104	I	94.7	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.6	172.2	-59.1	174.6	0	0	0	107.9	L79 V80 V81 L82 Y113 P185 A194 I197	L79-I104 HydrophobicContact CD1-CD1 4.13Å; L79-I104 HydrophobicContact CD2-CD1 4.12Å; V80-I104 PolarHBondContact O-N 2.88Å; V80-I104 VanDerWaalsContact O-N 3.15Å; V81-I104 CarbonylContact C-O 3.51Å; V81-I104 VanDerWaalsContact CA-O 3.31Å; V81-I104 WeakPolarHBondContact CA-O 3.38Å; L82-I104 PolarHBondContact N-O 2.92Å; I104-Y113 HydrophobicContact CG2-CD1 3.43Å; I104-Y113 VanDerWaalsContact CG2-CD1 3.43Å; I104-Y113 HydrophobicContact CG2-CE1 4.13Å; I104-Y113 HydrophobicContact CG2-CG 3.99Å; I104-P185 HydrophobicContact CD1-CB 3.97Å; I104-P185 HydrophobicContact CD1-CG 4.4Å; I104-P185 HydrophobicContact CG1-CG 4.46Å; I104-A194 HydrophobicContact CD1-CB 3.58Å; I104-I197 HydrophobicContact CD1-CG1 4.27Å; I104-I197 HydrophobicContact CG1-CD1 4.16Å; I104-I197 HydrophobicContact CG1-CG1 4.27Å
105	L	94.9	Very high	92.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.3	178.7	-62.1	179.4	0	0	0	110.5	L82 T84 Y113 T114 G115 L117 I145	L82-L105 HydrophobicContact CB-CD2 4.14Å; L82-L105 WeakPolarHBondContact O-CA 3.25Å; T84-L105 HydrophobicContact CG2-CB 4.18Å; L105-Y113 CarbonylContact O-C 3.58Å; L105-Y113 VanDerWaalsContact O-CA 3.27Å; L105-Y113 WeakPolarHBondContact O-CA 3.26Å; L105-T114 PolarHBondContact O-N 3.39Å; L105-G115 PolarHBondContact N-O 2.88Å; L105-L117 HydrophobicContact CD1-CB 4.41Å; L105-L117 HydrophobicContact CD2-CB 3.92Å; L105-L117 HydrophobicContact CG-CB 4.28Å; L105-I145 HydrophobicContact CD1-CG2 3.74Å; L105-I145 HydrophobicContact CD2-CD1 3.89Å; L105-I145 HydrophobicContact CD2-CG2 4.05Å
106	W	95.2	Very high	92.4	Very high	63 Å²	63	57.5 Å²	57.5	24%	0.239	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	175.5	175.7	-97.7	0	0	0	109.8	V81 L82 D83 T84 S108 Q111 Y113	V81-W106 HydrophobicContact CG1-CB 3.71Å; L82-W106 PolarHBondContact O-N 3.02Å; D83-W106 WeakPolarHBondContact CA-O 3.13Å; T84-W106 PolarHBondContact N-O 2.76Å; W106-S108 PolarHBondContact NE1-OG 3.03Å; W106-Q111 HydrophobicContact CH2-CB 4.37Å; W106-Q111 VanDerWaalsContact CH2-O 3.3Å; W106-Q111 WeakPolarHBondContact CH2-O 3.18Å; W106-Q111 HydrophobicContact CZ2-CB 4.18Å; W106-Y113 AromaticContact CE3-CD1 3.72Å; W106-Y113 HydrophobicContact CE3-CD1 3.72Å; W106-Y113 AromaticContact CE3-CE1 3.73Å; W106-Y113 HydrophobicContact CE3-CE1 3.73Å; W106-Y113 HydrophobicContact CE3-CG 4.2Å; W106-Y113 HydrophobicContact CZ3-CD1 4.38Å; W106-Y113 HydrophobicContact CZ3-CE1 4.25Å; W106-Y113 HydrophobicContact CZ3-CE2 4.42Å
107	D	93.7	Very high	92.6	Very high	13 Å²	13	56 Å²	56	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	105.7	172.6	-178.1	-26.1	0	0	0	108.6	T84 S109 K110 Q111 S112 T114	T84-D107 HydrophobicContact CG2-CB 4.34Å; D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CA 2.92Å; D107-S109 WeakPolarHBondContact OD1-CB 3.45Å; D107-S109 PolarHBondContact OD1-N 3.08Å; D107-S109 PolarHBondContact OD1-OG 3.05Å; D107-K110 HydrophobicContact CB-CB 4.24Å; D107-K110 PolarHBondContact O-N 3.16Å; D107-K110 PolarHBondContact OD1-N 3.12Å; D107-K110 VanDerWaalsContact OD1-N 3.07Å; D107-K110 WeakPolarHBondContact OD2-CD 3.3Å; D107-K110 WeakPolarHBondContact OD2-CE 3.11Å; D107-K110 WeakPolarHBondContact OD2-CG 3.2Å; D107-K110 IonicContact OD2-NZ 2.74Å; D107-K110 PolarHBondContact OD2-NZ 2.82Å; D107-Q111 WeakPolarHBondContact O-CA 3.34Å; D107-Q111 PolarHBondContact O-N 2.97Å; D107-S112 PolarHBondContact N-O 3.21Å; D107-S112 PolarHBondContact O-N 3.42Å; D107-T114 HydrophobicContact CB-CG2 3.36Å
108	S	94.8	Very high	92.6	Very high	53 Å²	53	47.8 Å²	47.8	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.4	-179.2	-77.7	0	0	0	0	113.4	D83 W106 Q111	D83-S108 WeakPolarHBondContact OD2-CB 3.28Å; D83-S108 PolarHBondContact OD2-OG 3.33Å; W106-S108 PolarHBondContact NE1-OG 3.03Å; S108-Q111 PolarHBondContact O-NE2 3.19Å
109	S	94	Very high	92.6	Very high	104 Å²	104	46.6 Å²	46.6	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-37.5	177.2	74.1	0	0	0	0	111.8	D107	D107-S109 PolarHBondContact O-N 3.28Å; D107-S109 WeakPolarHBondContact OD1-CA 2.92Å; D107-S109 WeakPolarHBondContact OD1-CB 3.45Å; D107-S109 PolarHBondContact OD1-N 3.08Å; D107-S109 PolarHBondContact OD1-OG 3.05Å
110	K	91.9	Very high	92.7	Very high	139 Å²	139	41.8 Å²	41.8	60%	0.604	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.4	178.9	-60.5	-173.7	-169.5	106.8	0	114	D107 S112	D107-K110 HydrophobicContact CB-CB 4.24Å; D107-K110 PolarHBondContact O-N 3.16Å; D107-K110 PolarHBondContact OD1-N 3.12Å; D107-K110 VanDerWaalsContact OD1-N 3.07Å; D107-K110 WeakPolarHBondContact OD2-CD 3.3Å; D107-K110 WeakPolarHBondContact OD2-CE 3.11Å; D107-K110 WeakPolarHBondContact OD2-CG 3.2Å; D107-K110 IonicContact OD2-NZ 2.74Å; D107-K110 PolarHBondContact OD2-NZ 2.82Å; K110-S112 WeakPolarHBondContact CB-OG 3.5Å; K110-S112 PolarHBondContact O-N 2.8Å; K110-S112 PolarHBondContact O-OG 3.44Å
111	Q	93.2	Very high	92.6	Very high	130 Å²	130	41 Å²	41	61%	0.607	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	45.2	-173.9	-66.4	-70.1	-66.3	0	0	112.6	W106 D107 S108	W106-Q111 HydrophobicContact CH2-CB 4.37Å; W106-Q111 VanDerWaalsContact CH2-O 3.3Å; W106-Q111 WeakPolarHBondContact CH2-O 3.18Å; W106-Q111 HydrophobicContact CZ2-CB 4.18Å; D107-Q111 WeakPolarHBondContact O-CA 3.34Å; D107-Q111 PolarHBondContact O-N 2.97Å; S108-Q111 PolarHBondContact O-NE2 3.19Å
112	S	92.8	Very high	92.6	Very high	46 Å²	46	37.1 Å²	37.1	32%	0.322	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.2	-176.4	54.1	0	0	0	0	113.2	D107 K110	D107-S112 PolarHBondContact N-O 3.21Å; D107-S112 PolarHBondContact O-N 3.42Å; K110-S112 WeakPolarHBondContact CB-OG 3.5Å; K110-S112 PolarHBondContact O-N 2.8Å; K110-S112 PolarHBondContact O-OG 3.44Å
113	Y	93.2	Very high	92.6	Very high	50 Å²	50	36.7 Å²	36.7	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.6	170	-55.9	-69.9	0	0	0	110.4	V81 I104 L105 W106 L160 I187 G192 A194	V81-Y113 HydrophobicContact CG1-CE1 4.24Å; I104-Y113 HydrophobicContact CG2-CD1 3.43Å; I104-Y113 VanDerWaalsContact CG2-CD1 3.43Å; I104-Y113 HydrophobicContact CG2-CE1 4.13Å; I104-Y113 HydrophobicContact CG2-CG 3.99Å; L105-Y113 CarbonylContact O-C 3.58Å; L105-Y113 VanDerWaalsContact O-CA 3.27Å; L105-Y113 WeakPolarHBondContact O-CA 3.26Å; W106-Y113 AromaticContact CE3-CD1 3.72Å; W106-Y113 HydrophobicContact CE3-CD1 3.72Å; W106-Y113 AromaticContact CE3-CE1 3.73Å; W106-Y113 HydrophobicContact CE3-CE1 3.73Å; W106-Y113 HydrophobicContact CE3-CG 4.2Å; W106-Y113 HydrophobicContact CZ3-CD1 4.38Å; W106-Y113 HydrophobicContact CZ3-CE1 4.25Å; W106-Y113 HydrophobicContact CZ3-CE2 4.42Å; Y113-L160 VanDerWaalsContact CB-CD2 3.4Å; Y113-L160 HydrophobicContact CG-CD2 4.49Å; Y113-I187 HydrophobicContact CD2-CD1 3.83Å; Y113-I187 HydrophobicContact CE2-CD1 4.4Å; Y113-I187 HydrophobicContact CE2-CG2 4.39Å; Y113-I187 HydrophobicContact CG-CD1 4.37Å; Y113-G192 VanDerWaalsContact CE2-O 3.23Å; Y113-G192 WeakPolarHBondContact CE2-O 3.45Å; Y113-G192 PolarHBondContact OH-O 3.04Å; Y113-G192 VanDerWaalsContact OH-O 3.13Å; Y113-A194 HydrophobicContact CE1-CB 4.03Å; Y113-A194 HydrophobicContact CE2-CB 4.12Å; Y113-A194 PolarHBondContact OH-N 3.43Å; Y113-A194 VanDerWaalsContact OH-N 3.09Å
114	T	90.6	Very high	92.3	Very high	30 Å²	30	38.6 Å²	38.6	18%	0.184	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-12.7	-171.3	54.9	0	0	0	0	114.3	L105 D107 R149	L105-T114 PolarHBondContact O-N 3.39Å; D107-T114 HydrophobicContact CB-CG2 3.36Å; T114-R149 PolarHBondContact O-NH2 2.95Å; T114-R149 VanDerWaalsContact O-NH2 3.16Å
115	G	90.9	Very high	92	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-172.9	-174.5	0	0	0	0	0	114.4	L105	L105-G115 PolarHBondContact N-O 2.88Å
116	I	92.3	Very high	91.7	Very high	29 Å²	29	38.6 Å²	38.6	15%	0.149	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.1	171.1	-54.5	173.1	0	0	0	107.2	A102 A103 T118 L160 R183 P185	A102-I116 HydrophobicContact CB-CG2 3.84Å; A103-I116 CarbonylContact O-C 3.59Å; A103-I116 WeakPolarHBondContact O-CA 3.34Å; A103-I116 WeakPolarHBondContact O-CG2 3.43Å; I116-T118 HydrophobicContact CB-CG2 4.43Å; I116-T118 HydrophobicContact CG2-CG2 3.71Å; I116-L160 HydrophobicContact CD1-CD1 4.22Å; I116-L160 HydrophobicContact CG1-CD1 3.76Å; I116-R183 HydrophobicContact CD1-CB 4.23Å; I116-P185 VanDerWaalsContact CD1-CD 3.46Å; I116-P185 HydrophobicContact CD1-CG 3.38Å; I116-P185 HydrophobicContact CG1-CG 3.86Å
117	L	92.4	Very high	91.5	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.9	167.1	-174.6	71.1	0	0	0	109.1	L82 A91 F92 L95 A102 A103 L105 D121 I145	L82-L117 HydrophobicContact CD1-CD2 4.06Å; A91-L117 HydrophobicContact CB-CD2 3.64Å; F92-L117 HydrophobicContact CD1-CD2 4.45Å; F92-L117 HydrophobicContact CE1-CD1 4.1Å; F92-L117 HydrophobicContact CE1-CD2 4.06Å; F92-L117 HydrophobicContact CE1-CG 4.02Å; F92-L117 HydrophobicContact CZ-CD1 3.99Å; F92-L117 HydrophobicContact CZ-CD2 4.46Å; F92-L117 HydrophobicContact CZ-CG 4.4Å; L95-L117 HydrophobicContact CD1-CD2 4.41Å; A102-L117 CarbonylContact C-O 3.4Å; A102-L117 WeakPolarHBondContact CA-O 3.23Å; A103-L117 PolarHBondContact N-O 2.99Å; A103-L117 PolarHBondContact O-N 3.15Å; L105-L117 HydrophobicContact CD1-CB 4.41Å; L105-L117 HydrophobicContact CD2-CB 3.92Å; L105-L117 HydrophobicContact CG-CB 4.28Å; L117-D121 HydrophobicContact CD1-CB 3.84Å; L117-I145 HydrophobicContact CD2-CD1 4.42Å
118	T	91.8	Very high	91.2	Very high	30 Å²	30	40.4 Å²	40.4	18%	0.184	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	172.1	-176.6	73.3	0	0	0	0	111.9	A102 I116 T120 D121 F122	A102-T118 HydrophobicContact CB-CG2 4.32Å; I116-T118 HydrophobicContact CB-CG2 4.43Å; I116-T118 HydrophobicContact CG2-CG2 3.71Å; T118-T120 PolarHBondContact O-N 3Å; T118-T120 WeakPolarHBondContact OG1-CB 3.49Å; T118-T120 PolarHBondContact OG1-N 3.18Å; T118-D121 WeakPolarHBondContact CA-OD2 3.17Å; T118-D121 WeakPolarHBondContact CB-OD2 3.48Å; T118-D121 PolarHBondContact N-OD2 3.39Å; T118-D121 WeakPolarHBondContact O-CB 3.24Å; T118-D121 PolarHBondContact O-N 3.07Å; T118-D121 VanDerWaalsContact O-N 3.08Å; T118-D121 PolarHBondContact OG1-OD2 3.39Å; T118-F122 PolarHBondContact O-N 3.34Å
119	I	90.8	Very high	90.7	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-26.1	172.6	-50.5	175.4	0	0	0	111.7	R101 D121 F122 I123 K276 F277 V279 I280	R101-I119 HydrophobicContact CB-CD1 4.3Å; R101-I119 HydrophobicContact CG-CD1 4.39Å; I119-D121 VanDerWaalsContact C-N 3.27Å; I119-D121 PolarHBondContact O-N 2.84Å; I119-F122 WeakPolarHBondContact O-CB 3.46Å; I119-F122 PolarHBondContact O-N 2.86Å; I119-I123 HydrophobicContact CG2-CD1 4.43Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.43Å; I119-I123 PolarHBondContact O-N 3.27Å; I119-K276 WeakPolarHBondContact CG2-O 3.36Å; I119-F277 HydrophobicContact CD1-CD2 3.97Å; I119-V279 HydrophobicContact CG2-CB 4.49Å; I119-I280 HydrophobicContact CD1-CD1 4.48Å
120	T	91.2	Very high	90.2	Very high	38 Å²	38	35.4 Å²	35.4	23%	0.233	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-37.6	173.4	-59	0	0	0	0	110.7	T118 F122 I123 K124 L253 K276	T118-T120 PolarHBondContact O-N 3Å; T118-T120 WeakPolarHBondContact OG1-CB 3.49Å; T118-T120 PolarHBondContact OG1-N 3.18Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-I123 PolarHBondContact O-N 2.77Å; T120-K124 WeakPolarHBondContact O-CG 3.15Å; T120-K124 PolarHBondContact O-N 2.88Å; T120-L253 HydrophobicContact CG2-CD2 4.41Å; T120-K276 PolarHBondContact OG1-NZ 3.06Å; T120-K276 VanDerWaalsContact OG1-NZ 3.16Å
121	D	89.6	Confident	89.5	Confident	15 Å²	15	30.3 Å²	30.3	8%	0.08	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-40.8	175.6	-53.1	-64.5	0	0	0	110.3	L117 T118 I119 I123 K124 V125 W148	L117-D121 HydrophobicContact CD1-CB 3.84Å; T118-D121 WeakPolarHBondContact CA-OD2 3.17Å; T118-D121 WeakPolarHBondContact CB-OD2 3.48Å; T118-D121 PolarHBondContact N-OD2 3.39Å; T118-D121 WeakPolarHBondContact O-CB 3.24Å; T118-D121 PolarHBondContact O-N 3.07Å; T118-D121 VanDerWaalsContact O-N 3.08Å; T118-D121 PolarHBondContact OG1-OD2 3.39Å; I119-D121 VanDerWaalsContact C-N 3.27Å; I119-D121 PolarHBondContact O-N 2.84Å; D121-I123 VanDerWaalsContact C-N 3.33Å; D121-I123 PolarHBondContact O-N 3.27Å; D121-K124 WeakPolarHBondContact O-CB 3.34Å; D121-K124 PolarHBondContact O-N 3.38Å; D121-K124 VanDerWaalsContact O-N 3.15Å; D121-V125 WeakPolarHBondContact O-CG2 3.31Å; D121-V125 PolarHBondContact O-N 3.01Å; D121-W148 HydrophobicContact CB-CH2 3.95Å; D121-W148 HydrophobicContact CB-CZ3 3.9Å
122	F	89	Confident	88.4	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-46.4	172.6	-171.1	-136.3	0	0	0	112.5	F92 T118 I119 T120 K124 V125 L126 F140 V279 A283	F92-F122 HydrophobicContact CD1-CB 3.9Å; F92-F122 HydrophobicContact CD1-CD2 4.08Å; F92-F122 HydrophobicContact CD1-CG 4.08Å; F92-F122 AromaticContact CD2-CD2 3.42Å; F92-F122 HydrophobicContact CD2-CD2 3.42Å; F92-F122 VanDerWaalsContact CD2-CD2 3.42Å; F92-F122 AromaticContact CD2-CE2 3.97Å; F92-F122 HydrophobicContact CD2-CE2 3.97Å; F92-F122 HydrophobicContact CD2-CG 4.23Å; F92-F122 HydrophobicContact CE1-CB 3.41Å; F92-F122 VanDerWaalsContact CE1-CB 3.41Å; F92-F122 HydrophobicContact CE1-CD2 4.15Å; F92-F122 HydrophobicContact CE1-CG 4.05Å; F92-F122 HydrophobicContact CE2-CB 4.02Å; F92-F122 AromaticContact CE2-CD2 3.4Å; F92-F122 HydrophobicContact CE2-CD2 3.4Å; F92-F122 VanDerWaalsContact CE2-CD2 3.4Å; F92-F122 HydrophobicContact CE2-CE2 4.31Å; F92-F122 HydrophobicContact CE2-CG 4.11Å; F92-F122 HydrophobicContact CG-CB 4.46Å; F92-F122 AromaticContact CG-CD2 3.77Å; F92-F122 HydrophobicContact CG-CD2 3.77Å; F92-F122 HydrophobicContact CG-CE2 4.33Å; F92-F122 HydrophobicContact CG-CG 4.22Å; F92-F122 HydrophobicContact CZ-CB 3.48Å; F92-F122 VanDerWaalsContact CZ-CB 3.48Å; F92-F122 AromaticContact CZ-CD2 3.82Å; F92-F122 HydrophobicContact CZ-CD2 3.82Å; F92-F122 HydrophobicContact CZ-CG 4.06Å; T118-F122 PolarHBondContact O-N 3.34Å; I119-F122 WeakPolarHBondContact O-CB 3.46Å; I119-F122 PolarHBondContact O-N 2.86Å; T120-F122 VanDerWaalsContact C-N 3.34Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.42Å; F122-V125 WeakPolarHBondContact O-CB 3.35Å; F122-V125 PolarHBondContact O-N 2.89Å; F122-L126 HydrophobicContact CD1-CD1 4.09Å; F122-L126 HydrophobicContact CD2-CD1 4.45Å; F122-L126 HydrophobicContact CD2-CG 4.19Å; F122-L126 HydrophobicContact CE1-CD1 3.68Å; F122-L126 HydrophobicContact CE1-CG 4.37Å; F122-L126 HydrophobicContact CE2-CD1 4.07Å; F122-L126 HydrophobicContact CE2-CD2 3.86Å; F122-L126 HydrophobicContact CE2-CG 3.86Å; F122-L126 HydrophobicContact CG-CD1 4.46Å; F122-L126 HydrophobicContact CZ-CD1 3.66Å; F122-L126 HydrophobicContact CZ-CD2 3.95Å; F122-L126 HydrophobicContact CZ-CG 3.95Å; F122-L126 WeakPolarHBondContact O-CG 3.47Å; F122-L126 PolarHBondContact O-N 3.01Å; F122-F140 HydrophobicContact CD2-CE2 4.29Å; F122-F140 HydrophobicContact CD2-CZ 4.4Å; F122-F140 AromaticContact CE2-CE2 3.95Å; F122-F140 HydrophobicContact CE2-CE2 3.95Å; F122-F140 AromaticContact CE2-CZ 3.73Å; F122-F140 HydrophobicContact CE2-CZ 3.73Å; F122-V279 HydrophobicContact CD1-CG1 3.95Å; F122-V279 HydrophobicContact CE1-CG1 4.04Å; F122-A283 HydrophobicContact CE1-CB 3.93Å; F122-A283 HydrophobicContact CE2-CB 4.46Å; F122-A283 HydrophobicContact CZ-CB 3.64Å
123	I	91.7	Very high	87.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-43.3	178	-66.2	164.9	0	0	0	110.7	I119 T120 D121 L126 V127 L249 F252 L253 K276 V279	I119-I123 HydrophobicContact CG2-CD1 4.43Å; I119-I123 VanDerWaalsContact O-CG1 3.31Å; I119-I123 WeakPolarHBondContact O-CG1 3.43Å; I119-I123 PolarHBondContact O-N 3.27Å; T120-I123 PolarHBondContact O-N 2.77Å; D121-I123 VanDerWaalsContact C-N 3.33Å; D121-I123 PolarHBondContact O-N 3.27Å; I123-L126 PolarHBondContact O-N 3.39Å; I123-V127 HydrophobicContact CG2-CG2 4.36Å; I123-V127 VanDerWaalsContact O-CG2 3.31Å; I123-V127 WeakPolarHBondContact O-CG2 3.42Å; I123-V127 PolarHBondContact O-N 2.76Å; I123-L249 HydrophobicContact CG1-CD2 4.2Å; I123-L249 HydrophobicContact CG2-CB 4Å; I123-L249 HydrophobicContact CG2-CD2 4.12Å; I123-L249 HydrophobicContact CG2-CG 4.46Å; I123-F252 HydrophobicContact CD1-CB 4.42Å; I123-F252 HydrophobicContact CD1-CD2 3.9Å; I123-F252 HydrophobicContact CD1-CG 4.37Å; I123-F252 HydrophobicContact CG2-CB 4.36Å; I123-L253 HydrophobicContact CB-CD2 4.38Å; I123-L253 HydrophobicContact CG2-CD1 4.26Å; I123-L253 HydrophobicContact CG2-CD2 3.79Å; I123-L253 HydrophobicContact CG2-CG 3.87Å; I123-K276 HydrophobicContact CD1-CB 3.92Å; I123-K276 HydrophobicContact CD1-CD 3.9Å; I123-K276 HydrophobicContact CD1-CG 3.56Å; I123-V279 HydrophobicContact CD1-CG2 4.03Å; I123-V279 HydrophobicContact CG1-CB 4.23Å; I123-V279 HydrophobicContact CG1-CG1 3.91Å; I123-V279 HydrophobicContact CG1-CG2 4.03Å
124	K	90.1	Very high	85.9	Confident	39 Å²	39	35.5 Å²	35.5	17%	0.17	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-48.9	176.3	-70.2	173.2	177.6	176.9	0	110.9	T120 D121 F122 L126 V127 T128 W148 L253	T120-K124 WeakPolarHBondContact O-CG 3.15Å; T120-K124 PolarHBondContact O-N 2.88Å; D121-K124 WeakPolarHBondContact O-CB 3.34Å; D121-K124 PolarHBondContact O-N 3.38Å; D121-K124 VanDerWaalsContact O-N 3.15Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.42Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.07Å; K124-V127 PolarHBondContact O-N 3.24Å; K124-T128 WeakPolarHBondContact O-CB 3.38Å; K124-T128 PolarHBondContact O-N 2.99Å; K124-T128 PolarHBondContact O-OG1 3.42Å; K124-W148 HydrophobicContact CB-CH2 3.71Å; K124-W148 HydrophobicContact CB-CZ2 3.54Å; K124-W148 HydrophobicContact CD-CH2 3.97Å; K124-L253 HydrophobicContact CG-CD1 4.12Å; K124-L253 HydrophobicContact CG-CD2 3.52Å; K124-L253 HydrophobicContact CG-CG 4.49Å
125	V	88.3	Confident	84.6	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-50.6	177.2	179.2	0	0	0	0	110.5	I88 F92 D121 F122 V127 T128 L129 F140 W148	I88-V125 HydrophobicContact CG2-CG1 4.36Å; I88-V125 HydrophobicContact CG2-CG2 4.17Å; F92-V125 HydrophobicContact CE2-CG2 4.17Å; F92-V125 HydrophobicContact CZ-CG2 4.43Å; D121-V125 WeakPolarHBondContact O-CG2 3.31Å; D121-V125 PolarHBondContact O-N 3.01Å; F122-V125 WeakPolarHBondContact O-CB 3.35Å; F122-V125 PolarHBondContact O-N 2.89Å; V125-V127 PolarHBondContact O-N 3.29Å; V125-T128 PolarHBondContact O-N 2.96Å; V125-L129 HydrophobicContact CG1-CD1 3.66Å; V125-L129 HydrophobicContact CG1-CG 4.34Å; V125-L129 WeakPolarHBondContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 3.19Å; V125-F140 HydrophobicContact CG1-CD2 3.35Å; V125-F140 HydrophobicContact CG1-CE2 3.7Å; V125-W148 HydrophobicContact CB-CZ2 4.2Å; V125-W148 HydrophobicContact CG2-CD2 3.72Å; V125-W148 HydrophobicContact CG2-CE3 4.33Å; V125-W148 HydrophobicContact CG2-CG 4.23Å; V125-W148 HydrophobicContact CG2-CH2 4.02Å; V125-W148 HydrophobicContact CG2-CZ2 3.36Å; V125-W148 HydrophobicContact CG2-CZ3 4.46Å
126	L	88.9	Confident	83.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-46.2	180	-69.8	179.7	0	0	0	112.2	F122 I123 K124 T128 Y130 M137 L249 V279 L282 L291	F122-L126 HydrophobicContact CD1-CD1 4.09Å; F122-L126 HydrophobicContact CD2-CD1 4.45Å; F122-L126 HydrophobicContact CD2-CG 4.19Å; F122-L126 HydrophobicContact CE1-CD1 3.68Å; F122-L126 HydrophobicContact CE1-CG 4.37Å; F122-L126 HydrophobicContact CE2-CD1 4.07Å; F122-L126 HydrophobicContact CE2-CD2 3.86Å; F122-L126 HydrophobicContact CE2-CG 3.86Å; F122-L126 HydrophobicContact CG-CD1 4.46Å; F122-L126 HydrophobicContact CZ-CD1 3.66Å; F122-L126 HydrophobicContact CZ-CD2 3.95Å; F122-L126 HydrophobicContact CZ-CG 3.95Å; F122-L126 WeakPolarHBondContact O-CG 3.47Å; F122-L126 PolarHBondContact O-N 3.01Å; I123-L126 PolarHBondContact O-N 3.39Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.07Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 3.03Å; L126-Y130 WeakPolarHBondContact O-CB 3.16Å; L126-Y130 PolarHBondContact O-N 3.45Å; L126-M137 HydrophobicContact CD2-CE 3.98Å; L126-M137 HydrophobicContact CD2-SD 4.01Å; L126-L249 HydrophobicContact CB-CD1 3.93Å; L126-L249 HydrophobicContact CD1-CD1 3.85Å; L126-V279 HydrophobicContact CD1-CG1 3.87Å; L126-L282 HydrophobicContact CD1-CD1 4.36Å; L126-L291 HydrophobicContact CB-CD1 4.22Å
127	V	89.6	Confident	82.6	Confident	33 Å²	33	42 Å²	42	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-37.3	-178.9	172.5	0	0	0	0	111.8	I123 K124 V125 I246 L249 K250 L253	I123-V127 HydrophobicContact CG2-CG2 4.36Å; I123-V127 VanDerWaalsContact O-CG2 3.31Å; I123-V127 WeakPolarHBondContact O-CG2 3.42Å; I123-V127 PolarHBondContact O-N 2.76Å; K124-V127 PolarHBondContact O-N 3.24Å; V125-V127 PolarHBondContact O-N 3.29Å; V127-I246 HydrophobicContact CG2-CD1 4.31Å; V127-L249 HydrophobicContact CG2-CB 3.52Å; V127-L249 HydrophobicContact CG2-CD1 4.37Å; V127-K250 HydrophobicContact CG1-CG 3.96Å; V127-K250 HydrophobicContact CG2-CG 4.45Å; V127-L253 HydrophobicContact CB-CD1 3.85Å; V127-L253 HydrophobicContact CG1-CD1 4.06Å; V127-L253 HydrophobicContact CG2-CD1 3.84Å
128	T	87.3	Confident	81.5	Confident	82 Å²	82	46 Å²	46	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-73	-41.4	-179.9	-60.7	0	0	0	0	112.3	K124 V125 L126	K124-T128 WeakPolarHBondContact O-CB 3.38Å; K124-T128 PolarHBondContact O-N 2.99Å; K124-T128 PolarHBondContact O-OG1 3.42Å; V125-T128 PolarHBondContact O-N 2.96Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 3.03Å
129	L	85.2	Confident	80.7	Confident	28 Å²	28	50.7 Å²	50.7	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-91	-9.3	-173.8	-62.2	-177.9	0	0	0	113.9	V125 P131 E139 F140	V125-L129 HydrophobicContact CG1-CD1 3.66Å; V125-L129 HydrophobicContact CG1-CG 4.34Å; V125-L129 WeakPolarHBondContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CG 3.38Å; V125-L129 PolarHBondContact O-N 3.19Å; L129-P131 WeakPolarHBondContact O-CD 3.4Å; L129-E139 HydrophobicContact CD1-CB 4.38Å; L129-E139 HydrophobicContact CD2-CB 4.04Å; L129-E139 WeakPolarHBondContact CD2-OE2 3.22Å; L129-F140 HydrophobicContact CD1-CB 3.71Å; L129-F140 HydrophobicContact CD1-CD2 4.36Å
130	Y	83.8	Confident	80	Confident	23 Å²	23	50 Å²	50	9%	0.09	28%	0.279	C	S	.	.			trans	-70.6	113.1	-177.5	-169.3	-122.1	0	0	0	111.2	L126 M137 I246 L291 N292	L126-Y130 WeakPolarHBondContact O-CB 3.16Å; L126-Y130 PolarHBondContact O-N 3.45Å; Y130-M137 HydrophobicContact CD2-CE 3.43Å; Y130-M137 VanDerWaalsContact CD2-CE 3.43Å; Y130-M137 HydrophobicContact CE2-CE 4.38Å; Y130-M137 HydrophobicContact CG-CE 4.12Å; Y130-I246 HydrophobicContact CD1-CB 4.34Å; Y130-I246 HydrophobicContact CD1-CD1 3.84Å; Y130-I246 HydrophobicContact CD1-CG1 3.87Å; Y130-I246 HydrophobicContact CE1-CB 4.33Å; Y130-I246 HydrophobicContact CE1-CG1 4.3Å; Y130-I246 HydrophobicContact CG-CD1 4.32Å; Y130-L291 HydrophobicContact CD1-CB 4.24Å; Y130-L291 HydrophobicContact CD1-CD1 4.25Å; Y130-L291 HydrophobicContact CD2-CB 4.22Å; Y130-L291 HydrophobicContact CD2-CD1 3.68Å; Y130-L291 HydrophobicContact CD2-CG 3.85Å; Y130-L291 HydrophobicContact CE1-CB 3.85Å; Y130-L291 HydrophobicContact CE2-CB 3.85Å; Y130-L291 HydrophobicContact CE2-CD1 4.13Å; Y130-L291 HydrophobicContact CE2-CG 3.76Å; Y130-L291 HydrophobicContact CG-CB 4.4Å; Y130-L291 HydrophobicContact CG-CD1 3.73Å; Y130-L291 HydrophobicContact CG-CG 4.26Å; Y130-L291 PolarHBondContact OH-N 2.98Å; Y130-L291 VanDerWaalsContact OH-N 3.16Å; Y130-N292 VanDerWaalsContact OH-CG 3.23Å; Y130-N292 PolarHBondContact OH-N 3.2Å; Y130-N292 PolarHBondContact OH-ND2 3.11Å; Y130-N292 VanDerWaalsContact OH-ND2 3.12Å; Y130-N292 PolarHBondContact OH-OD1 3.39Å
131	P	75.9	Confident	79.2	Confident	33 Å²	33	51.8 Å²	51.8	21%	0.214	29%	0.285	C	S	.	.			trans	-72.1	142.3	178.2	30	-32.9	0	0	0	109.7	L129 D133 S134 G135	L129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-D133 PolarHBondContact O-N 3Å; P131-S134 PolarHBondContact O-N 3.29Å; P131-G135 VanDerWaalsContact CG-N 3.26Å; P131-G135 WeakPolarHBondContact CG-O 3.43Å
132	P	70	Confident	78.8	Confident	112 Å²	112	58.9 Å²	58.9	73%	0.727	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	174.4	21.8	-30.2	0	0	0	112.2	S134	P132-S134 PolarHBondContact O-N 3.15Å
133	D	70.3	Confident	78.6	Confident	146 Å²	146	60.2 Å²	60.2	78%	0.781	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	23.2	-171.5	-56.9	-35.6	0	0	0	114.4	P131 G135	P131-D133 PolarHBondContact O-N 3Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 2.96Å
134	S	63.1	Low	78.5	Confident	76 Å²	76	61 Å²	61	53%	0.531	33%	0.332	S	S	.	.			trans	61.1	26.6	176.2	-49.6	0	0	0	0	115.5	P131 P132	P131-S134 PolarHBondContact O-N 3.29Å; P132-S134 PolarHBondContact O-N 3.15Å
135	G	63.8	Low	78.5	Confident	33 Å²	33	59.2 Å²	59.2	34%	0.34	33%	0.325	S	S	.	.			trans	-65.1	166.7	171.9	0	0	0	0	0	114	P131 D133	P131-G135 VanDerWaalsContact CG-N 3.26Å; P131-G135 WeakPolarHBondContact CG-O 3.43Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 2.96Å
136	K	66.6	Low	78.4	Confident	162 Å²	162	60.4 Å²	60.4	70%	0.704	33%	0.333	S	S	*	.			trans	-68.9	140.4	173.3	-65	-177.7	-179.9	176.2	0	110.1	D138	K136-D138 VanDerWaalsContact CB-OD1 3.31Å; K136-D138 WeakPolarHBondContact CB-OD1 3.2Å; K136-D138 PolarHBondContact O-N 3.37Å
137	M	74.6	Confident	78.2	Confident	5 Å²	5	63 Å²	63	3%	0.025	35%	0.351	C	S	.	.			trans	-81.7	60.9	170.5	-65.1	-174.3	-178.8	0	0	110.6	L126 Y130 E139 F140 Y288 L291	L126-M137 HydrophobicContact CD2-CE 3.98Å; L126-M137 HydrophobicContact CD2-SD 4.01Å; Y130-M137 HydrophobicContact CD2-CE 3.43Å; Y130-M137 VanDerWaalsContact CD2-CE 3.43Å; Y130-M137 HydrophobicContact CE2-CE 4.38Å; Y130-M137 HydrophobicContact CG-CE 4.12Å; M137-E139 VanDerWaalsContact C-N 3.27Å; M137-E139 PolarHBondContact O-N 3.25Å; M137-F140 HydrophobicContact CB-CB 3.84Å; M137-F140 VanDerWaalsContact O-CB 3.27Å; M137-F140 WeakPolarHBondContact O-CB 3.5Å; M137-F140 PolarHBondContact O-N 3.03Å; M137-F140 VanDerWaalsContact O-N 3.1Å; M137-Y288 WeakPolarHBondContact CE-O 3.38Å; M137-Y288 HydrophobicContact SD-CD2 3.93Å; M137-L291 HydrophobicContact CE-CD1 3.97Å
138	D	70.2	Confident	78	Confident	90 Å²	90	62 Å²	62	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-37.6	-176	-65.7	-29.9	0	0	0	111.2	K136 F140 E141 E142	K136-D138 VanDerWaalsContact CB-OD1 3.31Å; K136-D138 WeakPolarHBondContact CB-OD1 3.2Å; K136-D138 PolarHBondContact O-N 3.37Å; D138-F140 PolarHBondContact O-N 2.94Å; D138-E141 PolarHBondContact O-N 3.26Å; D138-E142 PolarHBondContact O-N 3.08Å
139	E	74.5	Confident	77.7	Confident	130 Å²	130	60.4 Å²	60.4	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-59.1	-30.1	175.4	-66.9	-175.1	-180	0	0	113.7	L129 M137 E141 S143	L129-E139 HydrophobicContact CD1-CB 4.38Å; L129-E139 HydrophobicContact CD2-CB 4.04Å; L129-E139 WeakPolarHBondContact CD2-OE2 3.22Å; M137-E139 VanDerWaalsContact C-N 3.27Å; M137-E139 PolarHBondContact O-N 3.25Å; E139-E141 VanDerWaalsContact C-N 3.27Å; E139-E141 PolarHBondContact O-N 2.9Å; E139-S143 VanDerWaalsContact O-CB 3.26Å; E139-S143 WeakPolarHBondContact O-CB 3.46Å; E139-S143 PolarHBondContact O-N 3.26Å; E139-S143 VanDerWaalsContact O-N 3.16Å; E139-S143 PolarHBondContact O-OG 2.74Å
140	F	75.7	Confident	77.4	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-66.5	-32.4	176.7	174.9	-110.6	0	0	0	111.9	I88 K89 F92 F122 V125 L129 M137 D138 Y288	I88-F140 HydrophobicContact CG2-CD2 4.09Å; I88-F140 HydrophobicContact CG2-CE2 3.68Å; K89-F140 HydrophobicContact CB-CD1 4.22Å; K89-F140 HydrophobicContact CB-CE1 3.84Å; K89-F140 HydrophobicContact CB-CZ 4.29Å; K89-F140 HydrophobicContact CG-CE1 4.09Å; F92-F140 AromaticContact CD2-CE2 3.87Å; F92-F140 HydrophobicContact CD2-CE2 3.87Å; F92-F140 AromaticContact CD2-CZ 3.92Å; F92-F140 HydrophobicContact CD2-CZ 3.92Å; F92-F140 HydrophobicContact CE2-CE2 4.09Å; F122-F140 HydrophobicContact CD2-CE2 4.29Å; F122-F140 HydrophobicContact CD2-CZ 4.4Å; F122-F140 AromaticContact CE2-CE2 3.95Å; F122-F140 HydrophobicContact CE2-CE2 3.95Å; F122-F140 AromaticContact CE2-CZ 3.73Å; F122-F140 HydrophobicContact CE2-CZ 3.73Å; V125-F140 HydrophobicContact CG1-CD2 3.35Å; V125-F140 HydrophobicContact CG1-CE2 3.7Å; L129-F140 HydrophobicContact CD1-CB 3.71Å; L129-F140 HydrophobicContact CD1-CD2 4.36Å; M137-F140 HydrophobicContact CB-CB 3.84Å; M137-F140 VanDerWaalsContact O-CB 3.27Å; M137-F140 WeakPolarHBondContact O-CB 3.5Å; M137-F140 PolarHBondContact O-N 3.03Å; M137-F140 VanDerWaalsContact O-N 3.1Å; D138-F140 PolarHBondContact O-N 2.94Å; F140-Y288 HydrophobicContact CD1-CD2 4.41Å; F140-Y288 AromaticContact CD1-CE2 3.88Å; F140-Y288 HydrophobicContact CD1-CE2 3.88Å; F140-Y288 HydrophobicContact CE1-CE1 4.37Å; F140-Y288 HydrophobicContact CE1-CE2 4.13Å
141	E	75.2	Confident	76.8	Confident	76 Å²	76	68.9 Å²	68.9	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-80.8	-34.1	-174.2	-50.2	-145.8	150.9	0	0	112	K89 D138 E139 Y288	K89-E141 HydrophobicContact CD-CB 4.02Å; K89-E141 HydrophobicContact CD-CG 3.88Å; K89-E141 IonicContact NZ-OE1 2.73Å; K89-E141 PolarHBondContact NZ-OE1 3.15Å; K89-E141 IonicContact NZ-OE2 2.74Å; K89-E141 PolarHBondContact NZ-OE2 3.06Å; D138-E141 PolarHBondContact O-N 3.26Å; E139-E141 VanDerWaalsContact C-N 3.27Å; E139-E141 PolarHBondContact O-N 2.9Å; E141-Y288 PolarHBondContact OE1-OH 2.9Å; E141-Y288 VanDerWaalsContact OE1-OH 3.08Å
142	E	80.7	Confident	76.5	Confident	163 Å²	163	67.9 Å²	67.9	76%	0.762	36%	0.363	S	S	*	.	H	α-helix	trans	-94.4	-32.2	-171.7	-62.7	-174.9	168.5	0	0	113.6	D138	D138-E142 PolarHBondContact O-N 3.08Å
143	S	85.4	Confident	76	Confident	30 Å²	30	67.8 Å²	67.8	21%	0.21	35%	0.352	C	S	.	.			trans	-67.2	139.2	-174.7	-61.2	0	0	0	0	113.1	S87 I88 E139	S87-S143 WeakPolarHBondContact CA-O 3.5Å; I88-S143 WeakPolarHBondContact CG1-O 3.18Å; I88-S143 PolarHBondContact N-O 3.37Å; E139-S143 VanDerWaalsContact O-CB 3.26Å; E139-S143 WeakPolarHBondContact O-CB 3.46Å; E139-S143 PolarHBondContact O-N 3.26Å; E139-S143 VanDerWaalsContact O-N 3.16Å; E139-S143 PolarHBondContact O-OG 2.74Å
144	S	89.8	Confident	75.1	Confident	16 Å²	16	68 Å²	68	11%	0.112	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-78.8	161.5	169.9	70.8	0	0	0	0	112	L86 I88 S146 S147 W148	L86-S144 WeakPolarHBondContact O-CA 3.46Å; I88-S144 WeakPolarHBondContact CD1-O 3.36Å; S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 3.46Å; S144-S146 PolarHBondContact OG-OG 3.17Å; S144-S147 PolarHBondContact O-N 3.22Å; S144-S147 PolarHBondContact OG-N 3.02Å; S144-S147 VanDerWaalsContact OG-N 3.12Å; S144-S147 PolarHBondContact OG-OG 3.09Å; S144-S147 VanDerWaalsContact OG-OG 3.05Å; S144-W148 PolarHBondContact O-N 3.23Å
145	I	89.5	Confident	74.5	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-40.5	173.9	-61.8	163.7	0	0	0	110.3	L82 T84 L86 I88 A91 L105 L117 W148 R149	L82-I145 HydrophobicContact CB-CD1 4.34Å; T84-I145 WeakPolarHBondContact O-CB 3.37Å; T84-I145 PolarHBondContact O-N 3.02Å; L86-I145 HydrophobicContact CB-CD1 4.22Å; L86-I145 WeakPolarHBondContact O-CG1 3.33Å; L86-I145 PolarHBondContact O-N 3.19Å; I88-I145 HydrophobicContact CG1-CG1 4.42Å; A91-I145 HydrophobicContact CB-CD1 3.67Å; A91-I145 HydrophobicContact CB-CG1 4.02Å; L105-I145 HydrophobicContact CD1-CG2 3.74Å; L105-I145 HydrophobicContact CD2-CD1 3.89Å; L105-I145 HydrophobicContact CD2-CG2 4.05Å; L117-I145 HydrophobicContact CD2-CD1 4.42Å; I145-W148 PolarHBondContact O-N 2.88Å; I145-R149 HydrophobicContact CG2-CG 4.33Å; I145-R149 WeakPolarHBondContact O-CG 3.4Å; I145-R149 PolarHBondContact O-N 2.75Å
146	S	86.5	Confident	74	Confident	26 Å²	26	71.6 Å²	71.6	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-57.9	-57.1	177.5	49.8	0	0	0	0	110.8	T84 E85 S144 W148 R149 E150	T84-S146 PolarHBondContact O-N 3.2Å; T84-S146 PolarHBondContact O-OG 3.29Å; E85-S146 WeakPolarHBondContact OE1-CB 3.36Å; E85-S146 PolarHBondContact OE1-OG 3.04Å; S144-S146 VanDerWaalsContact C-N 3.26Å; S144-S146 PolarHBondContact O-N 3.46Å; S144-S146 PolarHBondContact OG-OG 3.17Å; S146-W148 VanDerWaalsContact C-N 3.26Å; S146-W148 PolarHBondContact O-N 2.89Å; S146-R149 PolarHBondContact O-N 2.99Å; S146-R149 VanDerWaalsContact O-N 3.09Å; S146-E150 VanDerWaalsContact O-CG 3.3Å; S146-E150 WeakPolarHBondContact O-CG 3.47Å; S146-E150 PolarHBondContact O-N 3.23Å
147	S	85.5	Confident	73.6	Confident	54 Å²	54	69.8 Å²	69.8	38%	0.378	36%	0.356	S	S	.	.	H	α-helix	trans	-54.2	-41.6	-179.9	-59.6	0	0	0	0	112.7	S144 E150 I151	S144-S147 PolarHBondContact O-N 3.22Å; S144-S147 PolarHBondContact OG-N 3.02Å; S144-S147 VanDerWaalsContact OG-N 3.12Å; S144-S147 PolarHBondContact OG-OG 3.09Å; S144-S147 VanDerWaalsContact OG-OG 3.05Å; S147-E150 WeakPolarHBondContact O-CB 3.35Å; S147-E150 PolarHBondContact O-N 2.91Å; S147-I151 WeakPolarHBondContact O-CG1 3.31Å; S147-I151 PolarHBondContact O-N 3.15Å
148	W	83.8	Confident	73.4	Confident	13 Å²	13	73.7 Å²	73.7	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-72.7	-34.6	-179.7	-175.9	87	0	0	0	114.1	I88 D121 K124 V125 S144 I145 S146 E150 I151 N152	I88-W148 HydrophobicContact CD1-CB 3.28Å; I88-W148 HydrophobicContact CD1-CG 3.65Å; I88-W148 HydrophobicContact CG1-CB 4.28Å; D121-W148 HydrophobicContact CB-CH2 3.95Å; D121-W148 HydrophobicContact CB-CZ3 3.9Å; K124-W148 HydrophobicContact CB-CH2 3.71Å; K124-W148 HydrophobicContact CB-CZ2 3.54Å; K124-W148 HydrophobicContact CD-CH2 3.97Å; V125-W148 HydrophobicContact CB-CZ2 4.2Å; V125-W148 HydrophobicContact CG2-CD2 3.72Å; V125-W148 HydrophobicContact CG2-CE3 4.33Å; V125-W148 HydrophobicContact CG2-CG 4.23Å; V125-W148 HydrophobicContact CG2-CH2 4.02Å; V125-W148 HydrophobicContact CG2-CZ2 3.36Å; V125-W148 HydrophobicContact CG2-CZ3 4.46Å; S144-W148 PolarHBondContact O-N 3.23Å; I145-W148 PolarHBondContact O-N 2.88Å; S146-W148 VanDerWaalsContact C-N 3.26Å; S146-W148 PolarHBondContact O-N 2.89Å; W148-E150 PolarHBondContact O-N 3.42Å; W148-I151 PolarHBondContact O-N 3.38Å; W148-N152 WeakPolarHBondContact CZ2-ND2 3.4Å; W148-N152 PolarHBondContact NE1-ND2 3.47Å; W148-N152 VanDerWaalsContact NE1-ND2 3.17Å; W148-N152 WeakPolarHBondContact O-CB 3.37Å; W148-N152 PolarHBondContact O-N 2.56Å; W148-N152 VanDerWaalsContact O-N 3.08Å; W148-N152 PolarHBondContact O-ND2 3.31Å
149	R	81.8	Confident	73.9	Confident	48 Å²	48	73.7 Å²	73.7	18%	0.181	38%	0.381	C	S	.	.	H	α-helix	trans	-65.5	-31.6	171	-73.7	178.1	66.8	103.2	-1.6	111.3	T114 I145 S146 N152 K153	T114-R149 PolarHBondContact O-NH2 2.95Å; T114-R149 VanDerWaalsContact O-NH2 3.16Å; I145-R149 HydrophobicContact CG2-CG 4.33Å; I145-R149 WeakPolarHBondContact O-CG 3.4Å; I145-R149 PolarHBondContact O-N 2.75Å; S146-R149 PolarHBondContact O-N 2.99Å; S146-R149 VanDerWaalsContact O-N 3.09Å; R149-N152 CarbonylContact O-C 3.6Å; R149-K153 PolarHBondContact O-N 2.93Å
150	E	78.9	Confident	74.5	Confident	112 Å²	112	68.8 Å²	68.8	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-69.7	-45.2	175.7	-60.4	-149.5	120.6	0	0	112.9	S146 S147 W148 N152 K153	S146-E150 VanDerWaalsContact O-CG 3.3Å; S146-E150 WeakPolarHBondContact O-CG 3.47Å; S146-E150 PolarHBondContact O-N 3.23Å; S147-E150 WeakPolarHBondContact O-CB 3.35Å; S147-E150 PolarHBondContact O-N 2.91Å; W148-E150 PolarHBondContact O-N 3.42Å; E150-N152 PolarHBondContact O-N 2.82Å; E150-K153 HydrophobicContact CB-CD 4.45Å; E150-K153 VanDerWaalsContact O-CB 3.3Å; E150-K153 WeakPolarHBondContact O-CB 3.3Å; E150-K153 WeakPolarHBondContact O-CD 3.38Å; E150-K153 VanDerWaalsContact O-CG 3.23Å; E150-K153 WeakPolarHBondContact O-CG 3.4Å; E150-K153 PolarHBondContact O-N 3.33Å; E150-K153 VanDerWaalsContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.65Å; E150-K153 PolarHBondContact OE1-NZ 2.82Å
151	I	71.7	Confident	75.3	Confident	117 Å²	117	69.6 Å²	69.6	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-38	175.9	-65.7	163.3	0	0	0	110.5	S147 W148 K153	S147-I151 WeakPolarHBondContact O-CG1 3.31Å; S147-I151 PolarHBondContact O-N 3.15Å; W148-I151 PolarHBondContact O-N 3.38Å; I151-K153 VanDerWaalsContact C-N 3.32Å; I151-K153 PolarHBondContact O-N 3.33Å
152	N	68.4	Low	76.2	Confident	11 Å²	11	69.5 Å²	69.5	6%	0.059	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	22.2	178.5	-68.2	-70.7	0	0	0	114	W148 R149 E150 N154 F155 T156	W148-N152 WeakPolarHBondContact CZ2-ND2 3.4Å; W148-N152 PolarHBondContact NE1-ND2 3.47Å; W148-N152 VanDerWaalsContact NE1-ND2 3.17Å; W148-N152 WeakPolarHBondContact O-CB 3.37Å; W148-N152 PolarHBondContact O-N 2.56Å; W148-N152 VanDerWaalsContact O-N 3.08Å; W148-N152 PolarHBondContact O-ND2 3.31Å; R149-N152 CarbonylContact O-C 3.6Å; E150-N152 PolarHBondContact O-N 2.82Å; N152-N154 PolarHBondContact O-N 2.79Å; N152-F155 HydrophobicContact CB-CD2 4.37Å; N152-F155 WeakPolarHBondContact O-CA 3.43Å; N152-F155 PolarHBondContact O-N 3.09Å; N152-T156 PolarHBondContact O-N 3.1Å
153	K	61.2	Low	77	Confident	110 Å²	110	62 Å²	62	48%	0.478	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-26.7	175.4	-88.4	167.8	-177.2	166	0	113	R149 E150 I151 F155	R149-K153 PolarHBondContact O-N 2.93Å; E150-K153 HydrophobicContact CB-CD 4.45Å; E150-K153 VanDerWaalsContact O-CB 3.3Å; E150-K153 WeakPolarHBondContact O-CB 3.3Å; E150-K153 WeakPolarHBondContact O-CD 3.38Å; E150-K153 VanDerWaalsContact O-CG 3.23Å; E150-K153 WeakPolarHBondContact O-CG 3.4Å; E150-K153 PolarHBondContact O-N 3.33Å; E150-K153 VanDerWaalsContact O-N 3.11Å; E150-K153 IonicContact OE1-NZ 2.65Å; E150-K153 PolarHBondContact OE1-NZ 2.82Å; I151-K153 VanDerWaalsContact C-N 3.32Å; I151-K153 PolarHBondContact O-N 3.33Å; K153-F155 PolarHBondContact O-N 3.11Å
154	N	51.2	Low	77.5	Confident	150 Å²	150	62.5 Å²	62.5	80%	0.802	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.9	171.6	-67.1	-11.3	0	0	0	113.9	N152	N152-N154 PolarHBondContact O-N 2.79Å
155	F	50.1	Low	77.8	Confident	143 Å²	143	62 Å²	62	63%	0.627	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-15.3	-174	-64.3	-74.7	0	0	0	115	N152 K153	N152-F155 HydrophobicContact CB-CD2 4.37Å; N152-F155 WeakPolarHBondContact O-CA 3.43Å; N152-F155 PolarHBondContact O-N 3.09Å; K153-F155 PolarHBondContact O-N 3.11Å
156	T	53.7	Low	78.1	Confident	43 Å²	43	67.8 Å²	67.8	26%	0.264	35%	0.354	S	S	.	.			trans	-139.4	73.6	-175.6	50.1	0	0	0	0	111.7	N152	N152-T156 PolarHBondContact O-N 3.1Å
157	T	57.4	Low	78.6	Confident	123 Å²	123	67.8 Å²	67.8	76%	0.755	35%	0.354	S	S	*	.			trans	-92.8	-9.6	169.4	51.1	0	0	0	0	113
158	I	69.2	Low	79.1	Confident	88 Å²	88	66 Å²	66	45%	0.451	34%	0.341	S	S	.	.	S	Bend	trans	-77.4	124.9	-174.6	-48.7	176.9	0	0	0	108.9	V161	I158-V161 HydrophobicContact CG2-CG2 4.02Å
159	P	80.8	Confident	79.7	Confident	89 Å²	89	65.3 Å²	65.3	58%	0.578	34%	0.338	S	S	*	.			trans	-59.8	163.7	171.8	26.3	-33.8	0	0	0	110.9	V161	P159-V161 PolarHBondContact O-N 2.78Å
160	L	88	Confident	80.3	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	33%	0.33	C	S	.	.			trans	-61.6	104.2	179	179.7	62	0	0	0	111.1	Y113 I116 H162 P185 I187	Y113-L160 VanDerWaalsContact CB-CD2 3.4Å; Y113-L160 HydrophobicContact CG-CD2 4.49Å; I116-L160 HydrophobicContact CD1-CD1 4.22Å; I116-L160 HydrophobicContact CG1-CD1 3.76Å; L160-H162 PolarHBondContact O-N 2.82Å; L160-H162 PolarHBondContact O-ND1 2.65Å; L160-H162 VanDerWaalsContact O-ND1 3.14Å; L160-P185 HydrophobicContact CD1-CG 4Å; L160-I187 HydrophobicContact CD2-CD1 4.02Å
161	V	92.1	Very high	81.1	Confident	19 Å²	19	61 Å²	61	12%	0.115	32%	0.322	C	S	.	.			trans	-72.6	125.6	169.9	-177.6	0	0	0	0	108.8	I158 P159 M175 Y179 F181 L184 P185	I158-V161 HydrophobicContact CG2-CG2 4.02Å; P159-V161 PolarHBondContact O-N 2.78Å; V161-M175 HydrophobicContact CG1-CE 3.3Å; V161-Y179 HydrophobicContact CG1-CD2 3.84Å; V161-Y179 HydrophobicContact CG1-CE2 3.76Å; V161-Y179 HydrophobicContact CG2-CD1 4.4Å; V161-Y179 HydrophobicContact CG2-CD2 4.31Å; V161-Y179 HydrophobicContact CG2-CE1 4.28Å; V161-Y179 HydrophobicContact CG2-CE2 4.18Å; V161-Y179 HydrophobicContact CG2-CG 4.43Å; V161-F181 HydrophobicContact CB-CD2 4.4Å; V161-F181 HydrophobicContact CB-CE2 3.83Å; V161-F181 HydrophobicContact CG1-CE2 4.45Å; V161-F181 HydrophobicContact CG2-CE2 3.79Å; V161-L184 HydrophobicContact CG1-CD1 4.01Å; V161-P185 WeakPolarHBondContact O-CD 3.45Å
162	H	94.7	Very high	82.3	Confident	74 Å²	74	55.4 Å²	55.4	34%	0.343	29%	0.293	S	S	.	.			trans	-147.2	167.4	-178.1	66.1	-82.3	0	0	0	110.7	L160 P185 I187	L160-H162 PolarHBondContact O-N 2.82Å; L160-H162 PolarHBondContact O-ND1 2.65Å; L160-H162 VanDerWaalsContact O-ND1 3.14Å; H162-P185 WeakPolarHBondContact CA-O 3.5Å; H162-P185 HydrophobicContact CB-CB 4.23Å; H162-P185 WeakPolarHBondContact CB-O 3.39Å; H162-I187 HydrophobicContact CB-CD1 3.78Å; H162-I187 HydrophobicContact CB-CG1 4.24Å
163	V	96.3	Very high	83.5	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.036	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-127.3	157.7	174.9	-68.6	0	0	0	0	110.7	C167 A172 M175 L184 P185 I186 I187	V163-C167 HydrophobicContact CB-CB 3.92Å; V163-C167 HydrophobicContact CG1-CB 4.38Å; V163-A172 HydrophobicContact CG1-CB 4.29Å; V163-M175 HydrophobicContact CG1-CE 4.16Å; V163-M175 HydrophobicContact CG1-SD 3.39Å; V163-M175 WeakPolarHBondContact CG1-SD 3.28Å; V163-L184 HydrophobicContact CG1-CD1 4.45Å; V163-L184 HydrophobicContact CG1-CD2 3.73Å; V163-L184 HydrophobicContact CG1-CG 4.23Å; V163-L184 HydrophobicContact CG2-CD2 4.05Å; V163-L184 HydrophobicContact CG2-CG 4.1Å; V163-P185 PolarHBondContact N-O 3.2Å; V163-I186 HydrophobicContact CG2-CG1 3.98Å; V163-I186 CarbonylContact O-C 3.5Å; V163-I186 VanDerWaalsContact O-CA 3.3Å; V163-I186 WeakPolarHBondContact O-CA 3.43Å; V163-I187 PolarHBondContact O-N 3.31Å
164	T	97.2	Very high	85.1	Confident	40 Å²	40	52.8 Å²	52.8	25%	0.245	28%	0.28	C	S	.	.			trans	-86.7	162.8	169.9	74.6	0	0	0	0	110.9	E166 C167 I187 T189	T164-E166 VanDerWaalsContact CB-OE2 3.28Å; T164-E166 WeakPolarHBondContact CB-OE2 3.23Å; T164-E166 PolarHBondContact O-N 3.21Å; T164-E166 PolarHBondContact OG1-OE2 2.92Å; T164-C167 VanDerWaalsContact O-CB 3.22Å; T164-C167 WeakPolarHBondContact O-CB 3.44Å; T164-C167 PolarHBondContact O-N 3.14Å; T164-C167 VanDerWaalsContact O-N 3.16Å; T164-I187 WeakPolarHBondContact CA-O 3.11Å; T164-T189 HydrophobicContact CG2-CG2 4.04Å
165	P	96.3	Very high	87.1	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.039	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32	175.5	-28.1	38.5	0	0	0	114.1	T68 C69 Y70 C167 I186 L195	T68-P165 WeakPolarHBondContact CB-O 3.27Å; C69-P165 CarbonylContact C-O 3.57Å; C69-P165 PolarHBondContact N-O 3.11Å; Y70-P165 WeakPolarHBondContact CB-O 3.41Å; Y70-P165 HydrophobicContact CD2-CB 4.18Å; Y70-P165 PolarHBondContact N-O 3.04Å; P165-C167 VanDerWaalsContact C-N 3.31Å; P165-I186 HydrophobicContact CB-CG2 4.44Å; P165-I186 HydrophobicContact CG-CG2 3.93Å; P165-L195 HydrophobicContact CB-CD1 4.45Å; P165-L195 HydrophobicContact CG-CD1 3.29Å
166	E	95.7	Very high	89.2	Confident	124 Å²	124	40.7 Å²	40.7	58%	0.579	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.9	-178	-56.1	72.3	-156.6	0	0	112.6	T164	T164-E166 VanDerWaalsContact CB-OE2 3.28Å; T164-E166 WeakPolarHBondContact CB-OE2 3.23Å; T164-E166 PolarHBondContact O-N 3.21Å; T164-E166 PolarHBondContact OG1-OE2 2.92Å
167	C	96.4	Very high	91	Very high	26 Å²	26	39.3 Å²	39.3	18%	0.176	21%	0.212	C	C	.	.	S	Bend	trans	-60	137.1	178.4	-176	0	0	0	0	110.6	T68 C69 V163 T164 P165	T68-C167 CarbonylContact C-O 3.56Å; T68-C167 WeakPolarHBondContact CA-O 3.08Å; C69-C167 PolarHBondContact N-O 3.38Å; C69-C167 PolarHBondContact SG-O 3.43Å; C69-C167 VanDerWaalsContact SG-O 3.33Å; V163-C167 HydrophobicContact CB-CB 3.92Å; V163-C167 HydrophobicContact CG1-CB 4.38Å; T164-C167 VanDerWaalsContact O-CB 3.22Å; T164-C167 WeakPolarHBondContact O-CB 3.44Å; T164-C167 PolarHBondContact O-N 3.14Å; T164-C167 VanDerWaalsContact O-N 3.16Å; P165-C167 VanDerWaalsContact C-N 3.31Å
168	S	96.5	Very high	92.6	Very high	15 Å²	15	36.8 Å²	36.8	11%	0.105	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-63.6	150.4	-180	78.8	0	0	0	0	111.2	K65 H67 L170 D171 A172	K65-S168 WeakPolarHBondContact O-CB 3.12Å; H67-S168 CarbonylContact O-C 3.43Å; H67-S168 WeakPolarHBondContact O-CA 3.32Å; S168-L170 PolarHBondContact O-N 3.39Å; S168-D171 PolarHBondContact O-N 2.82Å; S168-D171 WeakPolarHBondContact OG-CB 3.46Å; S168-D171 PolarHBondContact OG-N 2.93Å; S168-D171 PolarHBondContact OG-OD2 2.61Å; S168-A172 WeakPolarHBondContact O-CB 3.43Å; S168-A172 PolarHBondContact O-N 2.91Å
169	L	96.4	Very high	93.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-25.5	173.6	-64.9	178.9	0	0	0	112.1	L64 H67 T68 L72 S173 Y206	L64-L169 HydrophobicContact CB-CB 4.33Å; L64-L169 HydrophobicContact CD2-CB 3.72Å; L64-L169 HydrophobicContact CD2-CD1 4.19Å; L64-L169 WeakPolarHBondContact O-CB 3.46Å; L64-L169 PolarHBondContact O-N 3.06Å; L64-L169 VanDerWaalsContact O-N 3.12Å; H67-L169 HydrophobicContact CB-CD1 3.63Å; H67-L169 HydrophobicContact CB-CG 4.17Å; H67-L169 PolarHBondContact O-N 2.98Å; T68-L169 WeakPolarHBondContact O-CD2 3.23Å; L72-L169 HydrophobicContact CD1-CD1 3.3Å; L72-L169 HydrophobicContact CD1-CD2 3.75Å; L72-L169 HydrophobicContact CD1-CG 4.09Å; L72-L169 HydrophobicContact CD2-CD1 4.32Å; L72-L169 HydrophobicContact CD2-CD2 3.8Å; L72-L169 HydrophobicContact CG-CD1 4.43Å; L72-L169 HydrophobicContact CG-CD2 4.23Å; L169-S173 WeakPolarHBondContact O-CB 3.36Å; L169-S173 PolarHBondContact O-N 3.36Å; L169-S173 PolarHBondContact O-OG 3Å; L169-Y206 HydrophobicContact CD1-CD1 3.96Å; L169-Y206 HydrophobicContact CD1-CE1 4.03Å
170	L	94.5	Very high	93.8	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-51.2	173.9	178.6	65.2	0	0	0	110.8	Y61 L64 K65 S168 S173 R174 T359	Y61-L170 HydrophobicContact CD2-CD1 3.85Å; Y61-L170 HydrophobicContact CD2-CD2 3.95Å; Y61-L170 HydrophobicContact CE1-CD2 4.1Å; Y61-L170 HydrophobicContact CE2-CD1 3.93Å; Y61-L170 HydrophobicContact CE2-CD2 3.39Å; Y61-L170 HydrophobicContact CE2-CG 4.29Å; Y61-L170 VanDerWaalsContact CZ-CD2 3.46Å; L64-L170 HydrophobicContact CB-CB 3.99Å; L64-L170 PolarHBondContact O-N 3.33Å; K65-L170 HydrophobicContact CB-CB 4.45Å; K65-L170 HydrophobicContact CB-CD2 4.04Å; K65-L170 HydrophobicContact CG-CD2 4.36Å; S168-L170 PolarHBondContact O-N 3.39Å; L170-S173 WeakPolarHBondContact O-CB 3.35Å; L170-S173 PolarHBondContact O-N 3.06Å; L170-R174 WeakPolarHBondContact O-CG 3.47Å; L170-R174 PolarHBondContact O-N 2.81Å; L170-T359 HydrophobicContact CD1-CG2 4Å
171	D	94.8	Very high	93.9	Very high	66 Å²	66	43.6 Å²	43.6	35%	0.353	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-44.2	179.8	-60.3	-35.4	0	0	0	110.6	S168 S173 R174 M175	S168-D171 PolarHBondContact O-N 2.82Å; S168-D171 WeakPolarHBondContact OG-CB 3.46Å; S168-D171 PolarHBondContact OG-N 2.93Å; S168-D171 PolarHBondContact OG-OD2 2.61Å; D171-S173 VanDerWaalsContact C-N 3.28Å; D171-S173 PolarHBondContact O-N 3.5Å; D171-R174 PolarHBondContact O-N 3.35Å; D171-R174 VanDerWaalsContact O-N 3.15Å; D171-M175 VanDerWaalsContact O-CG 3.31Å; D171-M175 WeakPolarHBondContact O-CG 3.18Å; D171-M175 PolarHBondContact O-N 3.44Å
172	A	96.3	Very high	93.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-36.2	175.6	0	0	0	0	0	112.6	C69 V163 S168 L176 L184 L198	C69-A172 VanDerWaalsContact SG-CB 3.55Å; V163-A172 HydrophobicContact CG1-CB 4.29Å; S168-A172 WeakPolarHBondContact O-CB 3.43Å; S168-A172 PolarHBondContact O-N 2.91Å; A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 3.24Å; A172-L176 VanDerWaalsContact O-N 3.1Å; A172-L184 HydrophobicContact CB-CD2 3.95Å; A172-L184 WeakPolarHBondContact O-CD2 3.44Å; A172-L198 HydrophobicContact CB-CD2 3.58Å
173	S	95.4	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-44.8	173.5	-63	0	0	0	0	111.6	L169 L170 D171 L176 L177	L169-S173 WeakPolarHBondContact O-CB 3.36Å; L169-S173 PolarHBondContact O-N 3.36Å; L169-S173 PolarHBondContact O-OG 3Å; L170-S173 WeakPolarHBondContact O-CB 3.35Å; L170-S173 PolarHBondContact O-N 3.06Å; D171-S173 VanDerWaalsContact C-N 3.28Å; D171-S173 PolarHBondContact O-N 3.5Å; S173-L176 WeakPolarHBondContact O-CB 3.28Å; S173-L176 PolarHBondContact O-N 3.23Å; S173-L177 VanDerWaalsContact O-CG 3.29Å; S173-L177 WeakPolarHBondContact O-CG 3.46Å; S173-L177 PolarHBondContact O-N 3.48Å
174	R	93.9	Very high	93.8	Very high	66 Å²	66	45 Å²	45	25%	0.249	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-44	176.5	-75.1	171.2	166.4	179.1	-15.9	111.4	L170 D171 L176 L177 Q178	L170-R174 WeakPolarHBondContact O-CG 3.47Å; L170-R174 PolarHBondContact O-N 2.81Å; D171-R174 PolarHBondContact O-N 3.35Å; D171-R174 VanDerWaalsContact O-N 3.15Å; R174-L176 PolarHBondContact O-N 2.74Å; R174-L177 PolarHBondContact O-N 3.16Å; R174-L177 VanDerWaalsContact O-N 3.11Å; R174-Q178 VanDerWaalsContact O-CB 3.26Å; R174-Q178 WeakPolarHBondContact O-CB 3.4Å; R174-Q178 PolarHBondContact O-N 3.25Å
175	M	93.5	Very high	93.8	Very high	40 Å²	40	43.1 Å²	43.1	20%	0.197	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-42.3	175.4	-67.7	176.9	81.3	0	0	112.3	V161 V163 D171 L177 Y179 L184	V161-M175 HydrophobicContact CG1-CE 3.3Å; V163-M175 HydrophobicContact CG1-CE 4.16Å; V163-M175 HydrophobicContact CG1-SD 3.39Å; V163-M175 WeakPolarHBondContact CG1-SD 3.28Å; D171-M175 VanDerWaalsContact O-CG 3.31Å; D171-M175 WeakPolarHBondContact O-CG 3.18Å; D171-M175 PolarHBondContact O-N 3.44Å; M175-L177 VanDerWaalsContact C-N 3.28Å; M175-L177 PolarHBondContact O-N 3.28Å; M175-Y179 HydrophobicContact CB-CD2 4.35Å; M175-Y179 HydrophobicContact CE-CE2 4.45Å; M175-Y179 WeakPolarHBondContact O-CB 3.26Å; M175-Y179 VanDerWaalsContact O-CD2 3.28Å; M175-Y179 WeakPolarHBondContact O-CD2 3.32Å; M175-Y179 PolarHBondContact O-N 3.45Å; M175-Y179 VanDerWaalsContact O-N 3.15Å; M175-L184 HydrophobicContact CB-CD2 4.12Å
176	L	93.7	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-39.8	173.9	-77.6	166.5	0	0	0	112.1	A172 S173 R174 R180 F181 L184 I203	A172-L176 WeakPolarHBondContact O-CG 3.29Å; A172-L176 PolarHBondContact O-N 3.24Å; A172-L176 VanDerWaalsContact O-N 3.1Å; S173-L176 WeakPolarHBondContact O-CB 3.28Å; S173-L176 PolarHBondContact O-N 3.23Å; R174-L176 PolarHBondContact O-N 2.74Å; L176-R180 CarbonylContact O-C 3.53Å; L176-R180 WeakPolarHBondContact O-CA 3.45Å; L176-R180 PolarHBondContact O-N 2.97Å; L176-F181 HydrophobicContact CD2-CB 4.36Å; L176-F181 WeakPolarHBondContact CD2-O 3.1Å; L176-F181 PolarHBondContact O-N 3.28Å; L176-L184 HydrophobicContact CD2-CB 3.6Å; L176-L184 HydrophobicContact CG-CB 3.96Å; L176-L184 HydrophobicContact CG-CD2 4.13Å; L176-I203 HydrophobicContact CD1-CD1 3.63Å
177	L	92.7	Very high	93.8	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-75.7	-50.1	-178.7	-66.5	171.3	0	0	0	112.6	S173 R174 M175 R180 K356 W361	S173-L177 VanDerWaalsContact O-CG 3.29Å; S173-L177 WeakPolarHBondContact O-CG 3.46Å; S173-L177 PolarHBondContact O-N 3.48Å; R174-L177 PolarHBondContact O-N 3.16Å; R174-L177 VanDerWaalsContact O-N 3.11Å; M175-L177 VanDerWaalsContact C-N 3.28Å; M175-L177 PolarHBondContact O-N 3.28Å; L177-R180 PolarHBondContact O-N 3.19Å; L177-R180 VanDerWaalsContact O-N 3.09Å; L177-K356 HydrophobicContact CD1-CB 4.06Å; L177-K356 HydrophobicContact CD2-CB 4.09Å; L177-W361 HydrophobicContact CB-CD2 4.15Å; L177-W361 HydrophobicContact CB-CE3 4.04Å; L177-W361 HydrophobicContact CB-CZ3 4.3Å; L177-W361 HydrophobicContact CD1-CB 4.08Å; L177-W361 HydrophobicContact CD1-CD2 4.32Å; L177-W361 HydrophobicContact CD1-CE3 4.34Å; L177-W361 HydrophobicContact CD1-CG 4.21Å
178	Q	89.6	Confident	93.7	Very high	70 Å²	70	37.6 Å²	37.6	33%	0.327	16%	0.164	S	C	.	.	H	α-helix	trans	-58.5	-51.1	-178.3	-173.7	-174.8	18.6	0	0	110.9	R174 R180 W361 D366	R174-Q178 VanDerWaalsContact O-CB 3.26Å; R174-Q178 WeakPolarHBondContact O-CB 3.4Å; R174-Q178 PolarHBondContact O-N 3.25Å; Q178-R180 PolarHBondContact O-N 2.9Å; Q178-W361 HydrophobicContact CB-CZ2 4.19Å; Q178-D366 PolarHBondContact NE2-OD1 2.92Å
179	Y	87.9	Confident	93.5	Very high	89 Å²	89	41.2 Å²	41.2	35%	0.349	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.5	178.5	-63.3	-71.5	0	0	0	113.6	V161 M175 F181	V161-Y179 HydrophobicContact CG1-CD2 3.84Å; V161-Y179 HydrophobicContact CG1-CE2 3.76Å; V161-Y179 HydrophobicContact CG2-CD1 4.4Å; V161-Y179 HydrophobicContact CG2-CD2 4.31Å; V161-Y179 HydrophobicContact CG2-CE1 4.28Å; V161-Y179 HydrophobicContact CG2-CE2 4.18Å; V161-Y179 HydrophobicContact CG2-CG 4.43Å; M175-Y179 HydrophobicContact CB-CD2 4.35Å; M175-Y179 HydrophobicContact CE-CE2 4.45Å; M175-Y179 WeakPolarHBondContact O-CB 3.26Å; M175-Y179 VanDerWaalsContact O-CD2 3.28Å; M175-Y179 WeakPolarHBondContact O-CD2 3.32Å; M175-Y179 PolarHBondContact O-N 3.45Å; M175-Y179 VanDerWaalsContact O-N 3.15Å; Y179-F181 HydrophobicContact CD1-CE2 4.34Å; Y179-F181 HydrophobicContact CD2-CE2 4.42Å; Y179-F181 HydrophobicContact CG-CD2 4.17Å; Y179-F181 AromaticContact CG-CE2 3.81Å; Y179-F181 HydrophobicContact CG-CE2 3.81Å; Y179-F181 HydrophobicContact CG-CZ 4.31Å; Y179-F181 WeakPolarHBondContact O-CD1 3.23Å; Y179-F181 WeakPolarHBondContact O-CE1 3.44Å; Y179-F181 PolarHBondContact O-N 3.26Å
180	R	88.2	Confident	93.2	Very high	197 Å²	197	47.9 Å²	47.9	74%	0.743	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	36.7	-174.9	-59.2	-177.2	176.3	152.1	1.8	112.9	L176 L177 Q178	L176-R180 CarbonylContact O-C 3.53Å; L176-R180 WeakPolarHBondContact O-CA 3.45Å; L176-R180 PolarHBondContact O-N 2.97Å; L177-R180 PolarHBondContact O-N 3.19Å; L177-R180 VanDerWaalsContact O-N 3.09Å; Q178-R180 PolarHBondContact O-N 2.9Å
181	F	90	Very high	93	Very high	62 Å²	62	53.7 Å²	53.7	27%	0.272	25%	0.247	S	C	.	.			trans	-90.6	142.6	179.1	-66.1	-23.3	0	0	0	111.2	V161 L176 Y179 H200	V161-F181 HydrophobicContact CB-CD2 4.4Å; V161-F181 HydrophobicContact CB-CE2 3.83Å; V161-F181 HydrophobicContact CG1-CE2 4.45Å; V161-F181 HydrophobicContact CG2-CE2 3.79Å; L176-F181 HydrophobicContact CD2-CB 4.36Å; L176-F181 WeakPolarHBondContact CD2-O 3.1Å; L176-F181 PolarHBondContact O-N 3.28Å; Y179-F181 HydrophobicContact CD1-CE2 4.34Å; Y179-F181 HydrophobicContact CD2-CE2 4.42Å; Y179-F181 HydrophobicContact CG-CD2 4.17Å; Y179-F181 AromaticContact CG-CE2 3.81Å; Y179-F181 HydrophobicContact CG-CE2 3.81Å; Y179-F181 HydrophobicContact CG-CZ 4.31Å; Y179-F181 WeakPolarHBondContact O-CD1 3.23Å; Y179-F181 WeakPolarHBondContact O-CE1 3.44Å; Y179-F181 PolarHBondContact O-N 3.26Å; F181-H200 PolarHBondContact O-CE1 3.44Å
182	H	91.4	Very high	92.8	Very high	81 Å²	81	52.3 Å²	52.3	38%	0.375	25%	0.249	S	C	.	.	S	Bend	trans	-95.4	-7	173.8	-62.5	171.6	0	0	0	113.1
183	R	93.9	Very high	92.7	Very high	47 Å²	47	56.5 Å²	56.5	18%	0.177	27%	0.271	C	S	.	.			trans	-141.2	120.9	-170.7	-57.7	-61.6	178	-156.7	-0.6	107.8	A102 I116 I197 L198	A102-R183 HydrophobicContact CB-CG 3.98Å; I116-R183 HydrophobicContact CD1-CB 4.23Å; R183-I197 HydrophobicContact CB-CG2 3.65Å; R183-I197 HydrophobicContact CG-CG2 4.25Å; R183-L198 WeakPolarHBondContact CA-O 3.3Å
184	L	95.7	Very high	92.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	178.3	-178.7	64	0	0	0	108.9	V161 V163 A172 M175 L176 L198	V161-L184 HydrophobicContact CG1-CD1 4.01Å; V163-L184 HydrophobicContact CG1-CD1 4.45Å; V163-L184 HydrophobicContact CG1-CD2 3.73Å; V163-L184 HydrophobicContact CG1-CG 4.23Å; V163-L184 HydrophobicContact CG2-CD2 4.05Å; V163-L184 HydrophobicContact CG2-CG 4.1Å; A172-L184 HydrophobicContact CB-CD2 3.95Å; A172-L184 WeakPolarHBondContact O-CD2 3.44Å; M175-L184 HydrophobicContact CB-CD2 4.12Å; L176-L184 HydrophobicContact CD2-CB 3.6Å; L176-L184 HydrophobicContact CG-CB 3.96Å; L176-L184 HydrophobicContact CG-CD2 4.13Å; L184-L198 HydrophobicContact CB-CB 4.35Å; L184-L198 PolarHBondContact N-O 3.4Å; L184-L198 WeakPolarHBondContact O-CA 3.33Å; L184-L198 WeakPolarHBondContact O-CB 3.34Å; L184-L198 PolarHBondContact O-N 3.48Å
185	P	96.4	Very high	92.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.2	178.6	-22.9	35.2	0	0	0	111.5	I104 I116 L160 V161 H162 V163 I187	I104-P185 HydrophobicContact CD1-CB 3.97Å; I104-P185 HydrophobicContact CD1-CG 4.4Å; I104-P185 HydrophobicContact CG1-CG 4.46Å; I116-P185 VanDerWaalsContact CD1-CD 3.46Å; I116-P185 HydrophobicContact CD1-CG 3.38Å; I116-P185 HydrophobicContact CG1-CG 3.86Å; L160-P185 HydrophobicContact CD1-CG 4Å; V161-P185 WeakPolarHBondContact O-CD 3.45Å; H162-P185 WeakPolarHBondContact CA-O 3.5Å; H162-P185 HydrophobicContact CB-CB 4.23Å; H162-P185 WeakPolarHBondContact CB-O 3.39Å; V163-P185 PolarHBondContact N-O 3.2Å; P185-I187 HydrophobicContact CB-CD1 4.26Å; P185-I187 HydrophobicContact CB-CG1 4.19Å
186	I	96.7	Very high	92.8	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.5	167.3	-56.3	171.8	0	0	0	106.2	C69 L73 V163 P165 L195 H196 L198	C69-I186 HydrophobicContact CB-CD1 3.91Å; C69-I186 HydrophobicContact CB-CG1 4.24Å; C69-I186 HydrophobicContact CB-CG2 4.44Å; L73-I186 HydrophobicContact CD2-CD1 3.7Å; V163-I186 HydrophobicContact CG2-CG1 3.98Å; V163-I186 CarbonylContact O-C 3.5Å; V163-I186 VanDerWaalsContact O-CA 3.3Å; V163-I186 WeakPolarHBondContact O-CA 3.43Å; P165-I186 HydrophobicContact CB-CG2 4.44Å; P165-I186 HydrophobicContact CG-CG2 3.93Å; I186-L195 HydrophobicContact CG2-CB 4.44Å; I186-L195 HydrophobicContact CG2-CD1 4.37Å; I186-L195 PolarHBondContact O-N 3.11Å; I186-H196 HydrophobicContact CD1-CB 4.38Å; I186-H196 PolarHBondContact N-O 3.46Å; I186-H196 PolarHBondContact O-N 3.34Å; I186-L198 HydrophobicContact CD1-CB 4.09Å; I186-L198 HydrophobicContact CG1-CB 4.16Å
187	I	95.5	Very high	92.9	Very high	10 Å²	10	57.6 Å²	57.6	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.2	-178.1	-64.4	173.2	0	0	0	108.4	Y113 L160 H162 V163 T164 P185 T189 A194	Y113-I187 HydrophobicContact CD2-CD1 3.83Å; Y113-I187 HydrophobicContact CE2-CD1 4.4Å; Y113-I187 HydrophobicContact CE2-CG2 4.39Å; Y113-I187 HydrophobicContact CG-CD1 4.37Å; L160-I187 HydrophobicContact CD2-CD1 4.02Å; H162-I187 HydrophobicContact CB-CD1 3.78Å; H162-I187 HydrophobicContact CB-CG1 4.24Å; V163-I187 PolarHBondContact O-N 3.31Å; T164-I187 WeakPolarHBondContact CA-O 3.11Å; P185-I187 HydrophobicContact CB-CD1 4.26Å; P185-I187 HydrophobicContact CB-CG1 4.19Å; I187-T189 PolarHBondContact O-N 2.71Å; I187-A194 HydrophobicContact CG1-CB 4.21Å
188	D	94.9	Very high	93	Very high	27 Å²	27	57 Å²	57	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	107.6	167.8	176.9	7	0	0	0	109.1	L190 H191 G192 N193 L195	D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 3.31Å; D188-L190 VanDerWaalsContact OD1-CB 3.31Å; D188-L190 WeakPolarHBondContact OD1-CB 3.29Å; D188-L190 PolarHBondContact OD1-N 2.65Å; D188-H191 IonicContact OD1-ND1 2.73Å; D188-H191 IonicContact OD2-CE1 3.02Å; D188-H191 IonicContact OD2-CG 3.74Å; D188-H191 IonicContact OD2-ND1 2.79Å; D188-H191 PolarHBondContact OD2-ND1 2.96Å; D188-G192 CarbonylContact O-C 3.54Å; D188-G192 VanDerWaalsContact O-CA 3.25Å; D188-G192 WeakPolarHBondContact O-CA 3.49Å; D188-G192 PolarHBondContact O-N 3.49Å; D188-N193 PolarHBondContact N-O 3.22Å; D188-N193 PolarHBondContact O-N 2.68Å; D188-N193 VanDerWaalsContact O-N 3.16Å; D188-L195 HydrophobicContact CB-CD1 3.79Å; D188-L195 HydrophobicContact CB-CD2 4.35Å; D188-L195 HydrophobicContact CB-CG 4.1Å
189	T	91.1	Very high	93.3	Very high	92 Å²	92	54.6 Å²	54.6	56%	0.564	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	-178.6	52.1	0	0	0	0	113.1	T164 I187	T164-T189 HydrophobicContact CG2-CG2 4.04Å; I187-T189 PolarHBondContact O-N 2.71Å
190	L	91.2	Very high	93.6	Very high	139 Å²	139	50.8 Å²	50.8	73%	0.728	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-42.1	176.7	-179.9	62	0	0	0	111.2	D188	D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 3.31Å; D188-L190 VanDerWaalsContact OD1-CB 3.31Å; D188-L190 WeakPolarHBondContact OD1-CB 3.29Å; D188-L190 PolarHBondContact OD1-N 2.65Å
191	H	90.8	Very high	93.9	Very high	124 Å²	124	44.8 Å²	44.8	57%	0.574	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-7.2	-178.2	-54.1	102.9	0	0	0	113.8	D188 N193	D188-H191 IonicContact OD1-ND1 2.73Å; D188-H191 IonicContact OD2-CE1 3.02Å; D188-H191 IonicContact OD2-CG 3.74Å; D188-H191 IonicContact OD2-ND1 2.79Å; D188-H191 PolarHBondContact OD2-ND1 2.96Å; H191-N193 VanDerWaalsContact C-N 3.3Å; H191-N193 WeakPolarHBondContact CB-ND2 3.4Å; H191-N193 PolarHBondContact O-N 2.84Å
192	G	90.6	Very high	94.1	Very high	38 Å²	38	45.5 Å²	45.5	39%	0.392	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	18.2	-177	0	0	0	0	0	114.2	Y113 D188	Y113-G192 VanDerWaalsContact CE2-O 3.23Å; Y113-G192 WeakPolarHBondContact CE2-O 3.45Å; Y113-G192 PolarHBondContact OH-O 3.04Å; Y113-G192 VanDerWaalsContact OH-O 3.13Å; D188-G192 CarbonylContact O-C 3.54Å; D188-G192 VanDerWaalsContact O-CA 3.25Å; D188-G192 WeakPolarHBondContact O-CA 3.49Å; D188-G192 PolarHBondContact O-N 3.49Å
193	N	93.2	Very high	94.3	Very high	87 Å²	87	41.7 Å²	41.7	47%	0.465	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.4	-174	-70.5	-39.4	0	0	0	111.4	D188 H191 L195	D188-N193 PolarHBondContact N-O 3.22Å; D188-N193 PolarHBondContact O-N 2.68Å; D188-N193 VanDerWaalsContact O-N 3.16Å; H191-N193 VanDerWaalsContact C-N 3.3Å; H191-N193 WeakPolarHBondContact CB-ND2 3.4Å; H191-N193 PolarHBondContact O-N 2.84Å; N193-L195 HydrophobicContact CB-CD2 4.35Å; N193-L195 PolarHBondContact O-N 3.08Å
194	A	94.4	Very high	94.4	Very high	16 Å²	16	39.4 Å²	39.4	13%	0.132	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.3	165.9	0	0	0	0	0	109.6	L79 I104 Y113 I187	L79-A194 HydrophobicContact CD2-CB 3.57Å; L79-A194 WeakPolarHBondContact CD2-O 3.3Å; I104-A194 HydrophobicContact CD1-CB 3.58Å; Y113-A194 HydrophobicContact CE1-CB 4.03Å; Y113-A194 HydrophobicContact CE2-CB 4.12Å; Y113-A194 PolarHBondContact OH-N 3.43Å; Y113-A194 VanDerWaalsContact OH-N 3.09Å; I187-A194 HydrophobicContact CG1-CB 4.21Å
195	L	94.8	Very high	94.3	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-44.7	-171.7	-60.9	175.4	0	0	0	112.1	L73 P165 I186 D188 N193	L73-L195 HydrophobicContact CD1-CD1 4.35Å; L73-L195 HydrophobicContact CD2-CB 4.49Å; P165-L195 HydrophobicContact CB-CD1 4.45Å; P165-L195 HydrophobicContact CG-CD1 3.29Å; I186-L195 HydrophobicContact CG2-CB 4.44Å; I186-L195 HydrophobicContact CG2-CD1 4.37Å; I186-L195 PolarHBondContact O-N 3.11Å; D188-L195 HydrophobicContact CB-CD1 3.79Å; D188-L195 HydrophobicContact CB-CD2 4.35Å; D188-L195 HydrophobicContact CB-CG 4.1Å; N193-L195 HydrophobicContact CB-CD2 4.35Å; N193-L195 PolarHBondContact O-N 3.08Å
196	H	95.2	Very high	94.2	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	171.4	-179.9	-154.9	-71.4	0	0	0	111.1	L73 P74 A77 I186 R202	L73-H196 HydrophobicContact CD2-CB 3.41Å; L73-H196 VanDerWaalsContact CD2-CB 3.41Å; P74-H196 WeakPolarHBondContact CD-CD2 3.39Å; A77-H196 VanDerWaalsContact CB-CD2 3.5Å; A77-H196 WeakPolarHBondContact CB-CD2 3.46Å; I186-H196 HydrophobicContact CD1-CB 4.38Å; I186-H196 PolarHBondContact N-O 3.46Å; I186-H196 PolarHBondContact O-N 3.34Å; H196-R202 PolarHBondContact CE1-NH1 3.16Å; H196-R202 PolarHBondContact NE2-NH1 2.79Å
197	I	96	Very high	94.1	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.092	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.5	166.6	-58.7	173.3	0	0	0	109.5	L79 A102 I104 R183	L79-I197 HydrophobicContact CD1-CD1 4.14Å; L79-I197 HydrophobicContact CD1-CG1 3.92Å; A102-I197 HydrophobicContact CB-CD1 4.21Å; I104-I197 HydrophobicContact CD1-CG1 4.27Å; I104-I197 HydrophobicContact CG1-CD1 4.16Å; I104-I197 HydrophobicContact CG1-CG1 4.27Å; R183-I197 HydrophobicContact CB-CG2 3.65Å; R183-I197 HydrophobicContact CG-CG2 4.25Å
198	L	95.9	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	148.7	173.4	-170.3	64.2	0	0	0	111.1	L72 A172 R183 L184 I186 I203	L72-L198 HydrophobicContact CB-CD1 4.19Å; L72-L198 HydrophobicContact CD2-CD1 3.51Å; L72-L198 HydrophobicContact CG-CD1 4.5Å; A172-L198 HydrophobicContact CB-CD2 3.58Å; R183-L198 WeakPolarHBondContact CA-O 3.3Å; L184-L198 HydrophobicContact CB-CB 4.35Å; L184-L198 PolarHBondContact N-O 3.4Å; L184-L198 WeakPolarHBondContact O-CA 3.33Å; L184-L198 WeakPolarHBondContact O-CB 3.34Å; L184-L198 PolarHBondContact O-N 3.48Å; I186-L198 HydrophobicContact CD1-CB 4.09Å; I186-L198 HydrophobicContact CG1-CB 4.16Å; L198-I203 HydrophobicContact CD1-CD1 4.38Å; L198-I203 HydrophobicContact CD1-CG1 3.92Å; L198-I203 HydrophobicContact CD2-CD1 3.92Å; L198-I203 HydrophobicContact CD2-CG1 4.31Å; L198-I203 HydrophobicContact CG-CD1 4.05Å; L198-I203 HydrophobicContact CG-CG1 4.15Å
199	T	95.3	Very high	93.8	Very high	20 Å²	20	50.5 Å²	50.5	12%	0.123	26%	0.259	C	S	.	.			trans	-147.4	149	-173.7	79.1	0	0	0	0	110.2	K201 R202 I203	T199-K201 PolarHBondContact O-N 3.46Å; T199-R202 WeakPolarHBondContact O-CB 3.41Å; T199-R202 PolarHBondContact O-N 2.82Å; T199-R202 PolarHBondContact OG1-N 3.48Å; T199-I203 PolarHBondContact O-N 3.13Å
200	H	94.7	Very high	93.8	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.046	24%	0.24	C	C	.	.	H	α-helix	trans	-48.7	-43.6	173.2	-65	97.3	0	0	0	113	F181 R202 I203 L204 L351 S352	F181-H200 PolarHBondContact O-CE1 3.44Å; H200-R202 VanDerWaalsContact C-N 3.26Å; H200-R202 PolarHBondContact O-N 2.84Å; H200-I203 PolarHBondContact O-N 2.94Å; H200-L204 PolarHBondContact O-N 2.73Å; H200-L351 HydrophobicContact CB-CB 3.85Å; H200-L351 HydrophobicContact CB-CD1 4.35Å; H200-S352 PolarHBondContact CD2-OG 3.42Å; H200-S352 PolarHBondContact CE1-OG 3.25Å; H200-S352 PolarHBondContact NE2-OG 3.48Å
201	K	94.5	Very high	93.7	Very high	71 Å²	71	46.1 Å²	46.1	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-39.5	-180	-179.4	175.8	174.1	175.9	0	111.8	T199 K205 G332 L351	T199-K201 PolarHBondContact O-N 3.46Å; K201-K205 WeakPolarHBondContact O-CB 3.27Å; K201-K205 PolarHBondContact O-N 2.86Å; K201-G332 WeakPolarHBondContact CE-O 3.48Å; K201-G332 PolarHBondContact NZ-O 3.12Å; K201-L351 HydrophobicContact CB-CD1 3.66Å; K201-L351 HydrophobicContact CG-CD1 4.38Å
202	R	94.8	Very high	93.5	Very high	77 Å²	77	46.7 Å²	46.7	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-72.4	-42	-177.6	-165.1	169.7	-174.5	119.8	8	111.2	L72 P74 H196 T199 H200 K205 Y206	L72-R202 HydrophobicContact CD2-CG 4.16Å; L72-R202 HydrophobicContact CG-CG 4.44Å; L72-R202 PolarHBondContact O-NE 2.98Å; L72-R202 PolarHBondContact O-NH2 3.09Å; P74-R202 VanDerWaalsContact N-NH2 3.12Å; H196-R202 PolarHBondContact CE1-NH1 3.16Å; H196-R202 PolarHBondContact NE2-NH1 2.79Å; T199-R202 WeakPolarHBondContact O-CB 3.41Å; T199-R202 PolarHBondContact O-N 2.82Å; T199-R202 PolarHBondContact OG1-N 3.48Å; H200-R202 VanDerWaalsContact C-N 3.26Å; H200-R202 PolarHBondContact O-N 2.84Å; R202-K205 PolarHBondContact O-N 3.27Å; R202-Y206 WeakPolarHBondContact O-CB 3.23Å; R202-Y206 PolarHBondContact O-N 2.85Å
203	I	95.7	Very high	93.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-50.2	175.6	-58.9	170.3	0	0	0	110.3	L64 L72 L176 L198 T199 H200 K205 Y206 L207 L355	L64-I203 HydrophobicContact CD2-CG2 3.9Å; L72-I203 HydrophobicContact CD2-CB 4.42Å; L72-I203 HydrophobicContact CD2-CG1 3.84Å; L176-I203 HydrophobicContact CD1-CD1 3.63Å; L198-I203 HydrophobicContact CD1-CD1 4.38Å; L198-I203 HydrophobicContact CD1-CG1 3.92Å; L198-I203 HydrophobicContact CD2-CD1 3.92Å; L198-I203 HydrophobicContact CD2-CG1 4.31Å; L198-I203 HydrophobicContact CG-CD1 4.05Å; L198-I203 HydrophobicContact CG-CG1 4.15Å; T199-I203 PolarHBondContact O-N 3.13Å; H200-I203 PolarHBondContact O-N 2.94Å; I203-K205 PolarHBondContact O-N 3.07Å; I203-Y206 WeakPolarHBondContact O-CB 3.15Å; I203-Y206 PolarHBondContact O-N 3.19Å; I203-Y206 VanDerWaalsContact O-N 3.14Å; I203-L207 HydrophobicContact CG2-CD1 4.44Å; I203-L207 PolarHBondContact O-N 3Å; I203-L355 HydrophobicContact CD1-CD2 4.22Å; I203-L355 HydrophobicContact CG2-CD1 3.8Å
204	L	94.3	Very high	92.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-38.1	-179.7	-165.4	67.5	0	0	0	112.4	H200 Y206 L207 Y208 M325 V329 L351 I354 L358	H200-L204 PolarHBondContact O-N 2.73Å; L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 2.92Å; L204-L207 HydrophobicContact CD1-CD1 4.33Å; L204-L207 PolarHBondContact O-N 3.37Å; L204-Y208 WeakPolarHBondContact O-CB 3.23Å; L204-Y208 PolarHBondContact O-N 3.25Å; L204-M325 HydrophobicContact CD1-CE 3.87Å; L204-M325 HydrophobicContact CD1-SD 4.47Å; L204-V329 HydrophobicContact CD2-CG2 4.11Å; L204-V329 HydrophobicContact CG-CG2 4.1Å; L204-L351 HydrophobicContact CB-CD2 4.14Å; L204-L351 HydrophobicContact CD2-CD2 3.3Å; L204-L351 HydrophobicContact CG-CD2 4.35Å; L204-I354 HydrophobicContact CD1-CG2 3.7Å; L204-I354 HydrophobicContact CD2-CD1 4.18Å; L204-I354 HydrophobicContact CD2-CG2 4.17Å; L204-L358 HydrophobicContact CD1-CD1 3.94Å
205	K	94.6	Very high	92.3	Very high	110 Å²	110	45.4 Å²	45.4	48%	0.478	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-40.1	173.3	-176.7	172.4	-179.1	176.5	0	111.5	K201 R202 I203 Y208 L209 V329	K201-K205 WeakPolarHBondContact O-CB 3.27Å; K201-K205 PolarHBondContact O-N 2.86Å; R202-K205 PolarHBondContact O-N 3.27Å; I203-K205 PolarHBondContact O-N 3.07Å; K205-Y208 PolarHBondContact O-N 2.57Å; K205-L209 HydrophobicContact CG-CD1 4.11Å; K205-L209 HydrophobicContact CG-CG 4.4Å; K205-L209 VanDerWaalsContact O-CG 3.29Å; K205-L209 WeakPolarHBondContact O-CG 3.47Å; K205-L209 PolarHBondContact O-N 2.81Å; K205-V329 HydrophobicContact CB-CG1 4.29Å; K205-V329 HydrophobicContact CG-CG1 4.14Å
206	Y	94.9	Very high	91.6	Very high	43 Å²	43	48.7 Å²	48.7	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177.5	-174.2	-103.3	0	0	0	111.9	F63 H67 L72 L169 R202 I203 L204 Y208 L209 N210	F63-Y206 AromaticContact CE1-CD1 3.75Å; F63-Y206 HydrophobicContact CE1-CD1 3.75Å; F63-Y206 AromaticContact CE1-CE1 3.49Å; F63-Y206 HydrophobicContact CE1-CE1 3.49Å; F63-Y206 VanDerWaalsContact CE1-CE1 3.49Å; F63-Y206 HydrophobicContact CZ-CD1 4.16Å; F63-Y206 AromaticContact CZ-CE1 3.6Å; F63-Y206 HydrophobicContact CZ-CE1 3.6Å; H67-Y206 HydrophobicContact CB-CE1 4.29Å; H67-Y206 AromaticContact CD2-CE1 3.81Å; H67-Y206 AromaticContact CD2-CZ 3.82Å; H67-Y206 PolarHBondContact CD2-OH 2.77Å; H67-Y206 PolarHBondContact NE2-OH 2.84Å; L72-Y206 HydrophobicContact CD1-CD1 3.54Å; L72-Y206 HydrophobicContact CD1-CD2 3.67Å; L72-Y206 HydrophobicContact CD1-CE1 3.84Å; L72-Y206 HydrophobicContact CD1-CE2 3.95Å; L72-Y206 HydrophobicContact CD1-CG 3.44Å; L72-Y206 VanDerWaalsContact CD1-CG 3.44Å; L72-Y206 HydrophobicContact CG-CD2 4.22Å; L72-Y206 HydrophobicContact CG-CG 4.05Å; L169-Y206 HydrophobicContact CD1-CD1 3.96Å; L169-Y206 HydrophobicContact CD1-CE1 4.03Å; R202-Y206 WeakPolarHBondContact O-CB 3.23Å; R202-Y206 PolarHBondContact O-N 2.85Å; I203-Y206 WeakPolarHBondContact O-CB 3.15Å; I203-Y206 PolarHBondContact O-N 3.19Å; I203-Y206 VanDerWaalsContact O-N 3.14Å; L204-Y206 VanDerWaalsContact C-N 3.31Å; L204-Y206 PolarHBondContact O-N 2.92Å; Y206-Y208 PolarHBondContact O-N 2.91Å; Y206-L209 PolarHBondContact O-N 3.08Å; Y206-N210 WeakPolarHBondContact CE2-ND2 3.41Å; Y206-N210 PolarHBondContact O-N 3.43Å; Y206-N210 VanDerWaalsContact O-N 3.09Å; Y206-N210 PolarHBondContact O-ND2 3.25Å
207	L	93	Very high	91.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-47.6	172.2	-73.1	170.4	0	0	0	111.7	Y60 F63 L64 I203 L204 L209 N210 R211 L358	Y60-L207 HydrophobicContact CD1-CD1 4.44Å; Y60-L207 HydrophobicContact CD1-CD2 4.11Å; F63-L207 HydrophobicContact CD1-CD2 3.48Å; F63-L207 VanDerWaalsContact CD1-CD2 3.48Å; F63-L207 HydrophobicContact CE1-CD2 3.82Å; F63-L207 HydrophobicContact CG-CD2 4.42Å; L64-L207 HydrophobicContact CD1-CD1 4.33Å; L64-L207 HydrophobicContact CD2-CD1 4.19Å; L64-L207 HydrophobicContact CD2-CD2 3.88Å; L64-L207 HydrophobicContact CD2-CG 4.13Å; L64-L207 HydrophobicContact CG-CD2 4.07Å; I203-L207 HydrophobicContact CG2-CD1 4.44Å; I203-L207 PolarHBondContact O-N 3Å; L204-L207 HydrophobicContact CD1-CD1 4.33Å; L204-L207 PolarHBondContact O-N 3.37Å; L207-L209 PolarHBondContact O-N 3.46Å; L207-N210 CarbonylContact O-C 3.6Å; L207-N210 PolarHBondContact O-N 3.05Å; L207-R211 PolarHBondContact O-N 3.28Å; L207-L358 HydrophobicContact CD1-CD1 4.04Å
208	Y	91.8	Very high	90.6	Very high	25 Å²	25	54.1 Å²	54.1	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-42.8	179.7	175.4	-95.3	0	0	0	112.4	L204 K205 Y206 N210 R211 V326 V329 E330	L204-Y208 WeakPolarHBondContact O-CB 3.23Å; L204-Y208 PolarHBondContact O-N 3.25Å; K205-Y208 PolarHBondContact O-N 2.57Å; Y206-Y208 PolarHBondContact O-N 2.91Å; Y208-N210 VanDerWaalsContact C-N 3.31Å; Y208-N210 PolarHBondContact O-N 3.04Å; Y208-R211 VanDerWaalsContact CE1-NH1 3.3Å; Y208-R211 WeakPolarHBondContact O-CB 3.45Å; Y208-R211 VanDerWaalsContact O-CD 3.24Å; Y208-R211 WeakPolarHBondContact O-CD 3.46Å; Y208-R211 WeakPolarHBondContact O-CG 3.3Å; Y208-R211 PolarHBondContact O-N 2.82Å; Y208-R211 PolarHBondContact O-NH1 3.45Å; Y208-V326 HydrophobicContact CE2-CB 4.38Å; Y208-V326 HydrophobicContact CE2-CG2 3.79Å; Y208-V329 HydrophobicContact CD1-CB 4.4Å; Y208-V329 HydrophobicContact CD1-CG1 3.61Å; Y208-V329 HydrophobicContact CE1-CG1 4.23Å; Y208-V329 HydrophobicContact CG-CB 4.22Å; Y208-V329 HydrophobicContact CG-CG1 3.82Å; Y208-V329 HydrophobicContact CG-CG2 4.32Å; Y208-E330 PolarHBondContact OH-OE1 3.34Å
209	L	92.5	Very high	90.3	Very high	93 Å²	93	54.6 Å²	54.6	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-66.4	-34.9	178.2	-69.9	173.2	0	0	0	112.2	K205 Y206 L207 H212	K205-L209 HydrophobicContact CG-CD1 4.11Å; K205-L209 HydrophobicContact CG-CG 4.4Å; K205-L209 VanDerWaalsContact O-CG 3.29Å; K205-L209 WeakPolarHBondContact O-CG 3.47Å; K205-L209 PolarHBondContact O-N 2.81Å; Y206-L209 PolarHBondContact O-N 3.08Å; L207-L209 PolarHBondContact O-N 3.46Å; L209-H212 PolarHBondContact O-CE1 2.9Å; L209-H212 VanDerWaalsContact O-CE1 3.27Å; L209-H212 PolarHBondContact O-ND1 3.44Å
210	N	92.5	Very high	90.2	Very high	31 Å²	31	54.1 Å²	54.1	17%	0.166	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.6	179	-69	-73.8	0	0	0	113.9	F63 Y206 L207 Y208 H212 N213	F63-N210 HydrophobicContact CE1-CB 4.38Å; F63-N210 HydrophobicContact CE2-CB 3.79Å; F63-N210 HydrophobicContact CZ-CB 3.43Å; F63-N210 VanDerWaalsContact CZ-CB 3.43Å; Y206-N210 WeakPolarHBondContact CE2-ND2 3.41Å; Y206-N210 PolarHBondContact O-N 3.43Å; Y206-N210 VanDerWaalsContact O-N 3.09Å; Y206-N210 PolarHBondContact O-ND2 3.25Å; L207-N210 CarbonylContact O-C 3.6Å; L207-N210 PolarHBondContact O-N 3.05Å; Y208-N210 VanDerWaalsContact C-N 3.31Å; Y208-N210 PolarHBondContact O-N 3.04Å; N210-H212 PolarHBondContact O-N 2.93Å; N210-N213 WeakPolarHBondContact O-CB 3.37Å; N210-N213 PolarHBondContact O-N 2.81Å
211	R	87.9	Confident	90.1	Very high	109 Å²	109	58 Å²	58	41%	0.411	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-56.7	-24.5	-177.3	69.9	-172	177.4	-86.6	6.7	114.7	L207 Y208 N213 L214	L207-R211 PolarHBondContact O-N 3.28Å; Y208-R211 VanDerWaalsContact CE1-NH1 3.3Å; Y208-R211 WeakPolarHBondContact O-CB 3.45Å; Y208-R211 VanDerWaalsContact O-CD 3.24Å; Y208-R211 WeakPolarHBondContact O-CD 3.46Å; Y208-R211 WeakPolarHBondContact O-CG 3.3Å; Y208-R211 PolarHBondContact O-N 2.82Å; Y208-R211 PolarHBondContact O-NH1 3.45Å; R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 2.99Å; R211-L214 PolarHBondContact O-N 3.39Å
212	H	86.7	Confident	90.1	Very high	135 Å²	135	59.3 Å²	59.3	63%	0.625	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72.4	-20.2	176.7	59.4	-85.8	0	0	0	113.1	L209 N210	L209-H212 PolarHBondContact O-CE1 2.9Å; L209-H212 VanDerWaalsContact O-CE1 3.27Å; L209-H212 PolarHBondContact O-ND1 3.44Å; N210-H212 PolarHBondContact O-N 2.93Å
213	N	84.6	Confident	90.3	Very high	72 Å²	72	56.4 Å²	56.4	39%	0.385	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-89.6	-5.2	174	-60.8	-33.4	0	0	0	112.3	N210 R211	N210-N213 WeakPolarHBondContact O-CB 3.37Å; N210-N213 PolarHBondContact O-N 2.81Å; R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 2.99Å
214	L	85.1	Confident	90.3	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	28%	0.284	C	S	.	.	S	Bend	trans	-95.5	137.2	177	-56.7	177.4	0	0	0	108.5	Y60 F63 R211	Y60-L214 HydrophobicContact CD1-CD1 3.79Å; Y60-L214 HydrophobicContact CD2-CD1 4.5Å; Y60-L214 HydrophobicContact CE1-CD1 3.32Å; Y60-L214 HydrophobicContact CE2-CD1 4.07Å; Y60-L214 HydrophobicContact CG-CD1 4.34Å; Y60-L214 VanDerWaalsContact CZ-CD1 3.44Å; F63-L214 HydrophobicContact CB-CD2 3.51Å; F63-L214 HydrophobicContact CD1-CD2 4.37Å; F63-L214 HydrophobicContact CD2-CD2 3.45Å; F63-L214 VanDerWaalsContact CD2-CD2 3.45Å; F63-L214 HydrophobicContact CE2-CD2 4.27Å; F63-L214 HydrophobicContact CG-CD2 3.52Å; R211-L214 PolarHBondContact O-N 3.39Å
215	S	82.7	Confident	90.4	Very high	30 Å²	30	62.3 Å²	62.3	21%	0.21	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-58.5	141.1	170.9	-83.1	0	0	0	0	110.1	L32 V217	L32-S215 WeakPolarHBondContact CD1-OG 3.39Å; S215-V217 WeakPolarHBondContact O-CG1 3.39Å; S215-V217 PolarHBondContact O-N 3.5Å
216	P	79.9	Confident	90.4	Very high	132 Å²	132	62.9 Å²	62.9	86%	0.857	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-56.3	131.9	170.3	-23	33.5	0	0	0	110.3
217	V	85.2	Confident	90.4	Very high	17 Å²	17	62 Å²	62	10%	0.103	31%	0.314	C	S	.	.			trans	-121.8	138.3	-177.3	-68.4	0	0	0	0	109.9	E56 S59 Y60 S215 F219 M220	E56-V217 HydrophobicContact CB-CB 4.26Å; E56-V217 HydrophobicContact CB-CG1 4.03Å; E56-V217 WeakPolarHBondContact O-CG1 3.47Å; S59-V217 WeakPolarHBondContact OG-CG1 3.38Å; Y60-V217 HydrophobicContact CE2-CG1 4.25Å; Y60-V217 HydrophobicContact CE2-CG2 3.78Å; S215-V217 WeakPolarHBondContact O-CG1 3.39Å; S215-V217 PolarHBondContact O-N 3.5Å; V217-F219 VanDerWaalsContact C-N 3.29Å; V217-F219 HydrophobicContact CB-CD1 3.71Å; V217-F219 HydrophobicContact CB-CE1 3.48Å; V217-F219 VanDerWaalsContact CB-CE1 3.48Å; V217-F219 HydrophobicContact CB-CG 4.42Å; V217-F219 HydrophobicContact CB-CZ 4.02Å; V217-F219 HydrophobicContact CG1-CD1 4.39Å; V217-F219 HydrophobicContact CG1-CE1 3.76Å; V217-F219 HydrophobicContact CG1-CZ 4.32Å; V217-F219 HydrophobicContact CG2-CD1 3.91Å; V217-F219 HydrophobicContact CG2-CD2 4.23Å; V217-F219 HydrophobicContact CG2-CE1 3.51Å; V217-F219 HydrophobicContact CG2-CE2 3.85Å; V217-F219 HydrophobicContact CG2-CG 4.27Å; V217-F219 HydrophobicContact CG2-CZ 3.49Å; V217-F219 VanDerWaalsContact CG2-CZ 3.49Å; V217-F219 PolarHBondContact O-N 3.28Å; V217-M220 HydrophobicContact CG2-CB 4.07Å; V217-M220 HydrophobicContact CG2-CG 3.4Å; V217-M220 PolarHBondContact O-N 2.85Å
218	K	86.7	Confident	90.4	Very high	149 Å²	149	70.7 Å²	70.7	65%	0.648	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.9	-26.5	-175	-62.5	178.6	-173.9	166.2	0	112.1	E56 M220 S221	E56-K218 WeakPolarHBondContact OE1-CD 3.19Å; E56-K218 WeakPolarHBondContact OE1-CG 3.2Å; E56-K218 WeakPolarHBondContact OE2-CB 3.44Å; E56-K218 PolarHBondContact OE2-N 3.45Å; K218-M220 PolarHBondContact O-N 2.93Å; K218-S221 PolarHBondContact O-N 2.76Å; K218-S221 PolarHBondContact O-OG 2.76Å
219	F	89.8	Confident	90.6	Very high	10 Å²	10	70 Å²	70	4%	0.044	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.6	179	69.8	-106.8	0	0	0	113.2	E56 R57 Y60 V217 S221 K222 L227 L321 F357 L358	E56-F219 HydrophobicContact CB-CD1 4.1Å; E56-F219 HydrophobicContact CB-CE1 4.25Å; R57-F219 HydrophobicContact CG-CD1 4.28Å; R57-F219 HydrophobicContact CG-CE1 4.01Å; Y60-F219 AromaticContact CD2-CZ 3.78Å; Y60-F219 HydrophobicContact CD2-CZ 3.78Å; Y60-F219 AromaticContact CE2-CZ 3.85Å; Y60-F219 HydrophobicContact CE2-CZ 3.85Å; V217-F219 VanDerWaalsContact C-N 3.29Å; V217-F219 HydrophobicContact CB-CD1 3.71Å; V217-F219 HydrophobicContact CB-CE1 3.48Å; V217-F219 VanDerWaalsContact CB-CE1 3.48Å; V217-F219 HydrophobicContact CB-CG 4.42Å; V217-F219 HydrophobicContact CB-CZ 4.02Å; V217-F219 HydrophobicContact CG1-CD1 4.39Å; V217-F219 HydrophobicContact CG1-CE1 3.76Å; V217-F219 HydrophobicContact CG1-CZ 4.32Å; V217-F219 HydrophobicContact CG2-CD1 3.91Å; V217-F219 HydrophobicContact CG2-CD2 4.23Å; V217-F219 HydrophobicContact CG2-CE1 3.51Å; V217-F219 HydrophobicContact CG2-CE2 3.85Å; V217-F219 HydrophobicContact CG2-CG 4.27Å; V217-F219 HydrophobicContact CG2-CZ 3.49Å; V217-F219 VanDerWaalsContact CG2-CZ 3.49Å; V217-F219 PolarHBondContact O-N 3.28Å; F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 2.9Å; F219-K222 WeakPolarHBondContact O-CB 3.27Å; F219-K222 PolarHBondContact O-N 3.05Å; F219-K222 VanDerWaalsContact O-N 3.16Å; F219-L227 HydrophobicContact CB-CD2 4.24Å; F219-L321 HydrophobicContact CD2-CD2 4Å; F219-L321 HydrophobicContact CE2-CD2 4.12Å; F219-F357 HydrophobicContact CB-CZ 4.41Å; F219-F357 AromaticContact CD2-CE1 3.59Å; F219-F357 HydrophobicContact CD2-CE1 3.59Å; F219-F357 HydrophobicContact CD2-CZ 4.16Å; F219-F357 AromaticContact CE2-CE1 3.82Å; F219-F357 HydrophobicContact CE2-CE1 3.82Å; F219-F357 HydrophobicContact CG-CE1 4.17Å; F219-F357 HydrophobicContact CG-CZ 4.36Å; F219-L358 HydrophobicContact CE2-CD2 3.79Å; F219-L358 HydrophobicContact CZ-CD2 3.99Å
220	M	91.4	Very high	90.7	Very high	9 Å²	9	66.4 Å²	66.4	4%	0.044	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-66.4	-29.5	-179.7	-81	-62.8	-175.8	0	0	113	Y60 V217 K218 L321 Q322 M325 L358	Y60-M220 HydrophobicContact CE1-CE 3.66Å; Y60-M220 HydrophobicContact CE2-CE 3.89Å; Y60-M220 WeakPolarHBondContact OH-CE 3.28Å; V217-M220 HydrophobicContact CG2-CB 4.07Å; V217-M220 HydrophobicContact CG2-CG 3.4Å; V217-M220 PolarHBondContact O-N 2.85Å; K218-M220 PolarHBondContact O-N 2.93Å; M220-L321 HydrophobicContact CE-CD2 4.47Å; M220-L321 PolarHBondContact O-N 3.24Å; M220-L321 HydrophobicContact SD-CB 4.34Å; M220-L321 HydrophobicContact SD-CD2 3.83Å; M220-L321 HydrophobicContact SD-CG 3.84Å; M220-Q322 HydrophobicContact CB-CB 4.29Å; M220-Q322 WeakPolarHBondContact O-CB 3.43Å; M220-Q322 PolarHBondContact O-N 3.16Å; M220-M325 HydrophobicContact CE-CE 4.01Å; M220-M325 HydrophobicContact CE-SD 3.46Å; M220-M325 WeakPolarHBondContact CE-SD 3.47Å; M220-M325 HydrophobicContact SD-SD 3.85Å; M220-L358 HydrophobicContact CE-CD2 3.96Å
221	S	93.4	Very high	90.9	Very high	93 Å²	93	67.8 Å²	67.8	65%	0.65	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-85.5	-6.5	176.2	60.9	0	0	0	0	113.7	K218 F219	K218-S221 PolarHBondContact O-N 2.76Å; K218-S221 PolarHBondContact O-OG 2.76Å; F219-S221 VanDerWaalsContact C-N 3.27Å; F219-S221 PolarHBondContact O-N 2.9Å
222	K	95.6	Very high	91.3	Very high	98 Å²	98	65.3 Å²	65.3	43%	0.426	34%	0.337	S	S	.	.	S	Bend	trans	-77.3	148.7	176.2	-66.3	-175.2	178.7	-178.1	0	110.5	F219 E226 L227 S320 L321	F219-K222 WeakPolarHBondContact O-CB 3.27Å; F219-K222 PolarHBondContact O-N 3.05Å; F219-K222 VanDerWaalsContact O-N 3.16Å; K222-E226 HydrophobicContact CB-CB 4.34Å; K222-L227 HydrophobicContact CB-CD1 4.14Å; K222-L227 HydrophobicContact CB-CD2 3.8Å; K222-L227 HydrophobicContact CB-CG 3.79Å; K222-L227 HydrophobicContact CD-CD2 3.78Å; K222-L227 HydrophobicContact CG-CD2 4.4Å; K222-S320 WeakPolarHBondContact O-CA 3.14Å; K222-L321 PolarHBondContact O-N 3.45Å
223	S	97.3	Very high	91.7	Very high	15 Å²	15	64.4 Å²	64.4	11%	0.105	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-70.7	158.5	178.1	63.9	0	0	0	0	112.8	H225 E226 L227 T318 D319	S223-H225 PolarHBondContact O-N 3.27Å; S223-E226 WeakPolarHBondContact CB-OE2 3.11Å; S223-E226 PolarHBondContact N-OE2 3.02Å; S223-E226 PolarHBondContact O-N 3.43Å; S223-E226 WeakPolarHBondContact OG-CB 2.98Å; S223-E226 WeakPolarHBondContact OG-CG 3.36Å; S223-E226 PolarHBondContact OG-N 3.37Å; S223-E226 PolarHBondContact OG-OE2 3.46Å; S223-L227 WeakPolarHBondContact O-CG 3.24Å; S223-L227 PolarHBondContact O-N 3.13Å; S223-T318 WeakPolarHBondContact CB-O 3.05Å; S223-D319 CarbonylContact C-O 3.57Å; S223-D319 VanDerWaalsContact CA-O 3.27Å; S223-D319 WeakPolarHBondContact CA-O 3.39Å
224	L	97.1	Very high	92.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-56.3	-36.9	173.7	-60.2	-171	0	0	0	112.4	L227 K228 L229 K317 D319 L321 V324 I338 I349	L224-L227 PolarHBondContact O-N 2.93Å; L224-K228 PolarHBondContact O-N 3.04Å; L224-L229 HydrophobicContact CD2-CB 4.21Å; L224-L229 HydrophobicContact CD2-CD1 4.46Å; L224-L229 PolarHBondContact O-N 3.34Å; L224-K317 PolarHBondContact N-O 3.27Å; L224-D319 PolarHBondContact N-O 2.98Å; L224-L321 HydrophobicContact CD2-CD1 4.45Å; L224-V324 HydrophobicContact CD1-CG2 3.93Å; L224-V324 HydrophobicContact CD2-CB 4.35Å; L224-V324 HydrophobicContact CD2-CG1 4.43Å; L224-V324 HydrophobicContact CD2-CG2 4.03Å; L224-V324 HydrophobicContact CG-CG2 4.09Å; L224-I338 HydrophobicContact CD1-CD1 3.98Å; L224-I338 HydrophobicContact CD1-CG1 4.25Å; L224-I349 HydrophobicContact CD1-CB 4.41Å; L224-I349 HydrophobicContact CD1-CD1 3.92Å; L224-I349 HydrophobicContact CD1-CG2 4.03Å; L224-I349 HydrophobicContact CD2-CD1 3.49Å; L224-I349 VanDerWaalsContact CD2-CD1 3.49Å; L224-I349 HydrophobicContact CG-CD1 4.31Å
225	H	95.6	Very high	92.6	Very high	124 Å²	124	71.6 Å²	71.6	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-64.8	-47.5	177.2	-178.7	-98.8	0	0	0	112.1	S223 L227 K228 K317	S223-H225 PolarHBondContact O-N 3.27Å; H225-L227 VanDerWaalsContact C-N 3.28Å; H225-L227 PolarHBondContact O-N 3.19Å; H225-K228 PolarHBondContact O-N 2.94Å; H225-K228 VanDerWaalsContact O-N 3.14Å; H225-K317 HydrophobicContact CB-CB 4.24Å; H225-K317 HydrophobicContact CB-CG 4.46Å; H225-K317 WeakPolarHBondContact CB-O 3.39Å; H225-K317 PolarHBondContact N-O 3.49Å
226	E	95.2	Very high	93.2	Very high	123 Å²	123	70.8 Å²	70.8	58%	0.575	37%	0.369	S	S	*	.	H	α-helix	trans	-63.2	-35.7	178	-72.8	168.3	116.8	0	0	112.4	K222 S223 K228	K222-E226 HydrophobicContact CB-CB 4.34Å; S223-E226 WeakPolarHBondContact CB-OE2 3.11Å; S223-E226 PolarHBondContact N-OE2 3.02Å; S223-E226 PolarHBondContact O-N 3.43Å; S223-E226 WeakPolarHBondContact OG-CB 2.98Å; S223-E226 WeakPolarHBondContact OG-CG 3.36Å; S223-E226 PolarHBondContact OG-N 3.37Å; S223-E226 PolarHBondContact OG-OE2 3.46Å; E226-K228 VanDerWaalsContact C-N 3.31Å
227	L	94.1	Very high	94	Very high	24 Å²	24	66.5 Å²	66.5	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-83.6	-7.1	178.3	-61.9	179.2	0	0	0	113.5	F219 K222 S223 L224 H225 L229 L321 F357	F219-L227 HydrophobicContact CB-CD2 4.24Å; K222-L227 HydrophobicContact CB-CD1 4.14Å; K222-L227 HydrophobicContact CB-CD2 3.8Å; K222-L227 HydrophobicContact CB-CG 3.79Å; K222-L227 HydrophobicContact CD-CD2 3.78Å; K222-L227 HydrophobicContact CG-CD2 4.4Å; S223-L227 WeakPolarHBondContact O-CG 3.24Å; S223-L227 PolarHBondContact O-N 3.13Å; L224-L227 PolarHBondContact O-N 2.93Å; H225-L227 VanDerWaalsContact C-N 3.28Å; H225-L227 PolarHBondContact O-N 3.19Å; L227-L229 HydrophobicContact CB-CB 4.34Å; L227-L229 HydrophobicContact CB-CD1 3.76Å; L227-L229 HydrophobicContact CB-CG 3.76Å; L227-L229 HydrophobicContact CD1-CD1 3.7Å; L227-L229 HydrophobicContact CG-CD1 4.41Å; L227-L229 PolarHBondContact O-N 3.47Å; L227-L321 HydrophobicContact CD1-CB 3.77Å; L227-L321 HydrophobicContact CD1-CD2 3.9Å; L227-L321 HydrophobicContact CD1-CG 4.41Å; L227-F357 HydrophobicContact CB-CE2 4.28Å; L227-F357 HydrophobicContact CB-CZ 4.48Å; L227-F357 HydrophobicContact CD1-CE1 4.4Å; L227-F357 HydrophobicContact CD1-CZ 4.11Å; L227-F357 HydrophobicContact CD2-CE2 4.14Å; L227-F357 HydrophobicContact CD2-CZ 3.76Å; L227-F357 HydrophobicContact CG-CZ 4.34Å
228	K	94.3	Very high	94.6	Very high	183 Å²	183	68 Å²	68	80%	0.796	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.9	-172.9	-57.7	179.4	179.5	178.4	0	112.2	L224 H225 E226	L224-K228 PolarHBondContact O-N 3.04Å; H225-K228 PolarHBondContact O-N 2.94Å; H225-K228 VanDerWaalsContact O-N 3.14Å; E226-K228 VanDerWaalsContact C-N 3.31Å
229	L	94.8	Very high	95.1	Very high	10 Å²	10	61.1 Å²	61.1	5%	0.052	32%	0.317	C	S	.	.			trans	-93.9	137.3	-176.3	-83	177.5	0	0	0	112.4	L224 L227 Y232 L321 I349 F357	L224-L229 HydrophobicContact CD2-CB 4.21Å; L224-L229 HydrophobicContact CD2-CD1 4.46Å; L224-L229 PolarHBondContact O-N 3.34Å; L227-L229 HydrophobicContact CB-CB 4.34Å; L227-L229 HydrophobicContact CB-CD1 3.76Å; L227-L229 HydrophobicContact CB-CG 3.76Å; L227-L229 HydrophobicContact CD1-CD1 3.7Å; L227-L229 HydrophobicContact CG-CD1 4.41Å; L227-L229 PolarHBondContact O-N 3.47Å; L229-Y232 WeakPolarHBondContact O-CE2 3.17Å; L229-Y232 PolarHBondContact O-OH 2.92Å; L229-L321 HydrophobicContact CD1-CD1 3.72Å; L229-L321 HydrophobicContact CD1-CD2 3.99Å; L229-L321 HydrophobicContact CD1-CG 4.33Å; L229-I349 HydrophobicContact CB-CD1 3.97Å; L229-F357 HydrophobicContact CD1-CD1 4.22Å; L229-F357 HydrophobicContact CD1-CD2 4.3Å; L229-F357 HydrophobicContact CD1-CG 4.1Å; L229-F357 HydrophobicContact CD2-CB 3.49Å; L229-F357 VanDerWaalsContact CD2-CB 3.49Å; L229-F357 HydrophobicContact CD2-CD2 3.81Å; L229-F357 HydrophobicContact CD2-CG 3.72Å; L229-F357 HydrophobicContact CG-CD2 4.15Å; L229-F357 HydrophobicContact CG-CG 4.28Å
230	G	95.3	Very high	95.4	Very high	19 Å²	19	62.5 Å²	62.5	20%	0.196	33%	0.327	C	S	.	.	S	Bend	trans	94	175.9	-177.2	0	0	0	0	0	113.2	I348	G230-I348 CarbonylContact C-O 3.59Å; G230-I348 VanDerWaalsContact CA-O 3.3Å; G230-I348 WeakPolarHBondContact CA-O 3.2Å
231	T	96.5	Very high	95.5	Very high	59 Å²	59	63.4 Å²	63.4	36%	0.362	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.8	174.6	-59.9	0	0	0	0	108.9	N235 V236 G347 I348	T231-N235 HydrophobicContact CG2-CB 3.76Å; T231-V236 HydrophobicContact CG2-CG2 4.19Å; T231-V236 WeakPolarHBondContact O-CG2 3.26Å; T231-G347 CarbonylContact O-C 3.43Å; T231-G347 WeakPolarHBondContact O-CA 3.32Å; T231-I348 PolarHBondContact N-O 3.27Å; T231-I348 PolarHBondContact O-N 3.21Å
232	Y	96.9	Very high	95.6	Very high	58 Å²	58	63.4 Å²	63.4	23%	0.227	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	164.3	-179.8	-63.9	-93.6	0	0	0	111.7	L229 N235 K317 I338 E346	L229-Y232 WeakPolarHBondContact O-CE2 3.17Å; L229-Y232 PolarHBondContact O-OH 2.92Å; Y232-N235 PolarHBondContact O-N 3.43Å; Y232-K317 HydrophobicContact CE1-CB 4.28Å; Y232-I338 HydrophobicContact CD1-CD1 4.48Å; Y232-I338 HydrophobicContact CE1-CD1 3.68Å; Y232-I338 HydrophobicContact CE1-CG2 4.19Å; Y232-I338 HydrophobicContact CE2-CD1 4.45Å; Y232-E346 WeakPolarHBondContact CA-O 3.31Å
233	K	94.8	Very high	95.7	Very high	115 Å²	115	59.6 Å²	59.6	50%	0.5	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	144.5	170.2	-80.3	-179.5	168.5	166.9	0	111	V236 V345 E346	K233-V236 HydrophobicContact CG-CB 4.42Å; K233-V345 WeakPolarHBondContact CD-O 3.13Å; K233-V345 WeakPolarHBondContact CE-O 3.29Å; K233-V345 PolarHBondContact NZ-O 3.14Å; K233-E346 PolarHBondContact N-O 3.09Å
234	P	94.3	Very high	95.6	Very high	115 Å²	115	60.1 Å²	60.1	75%	0.747	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.9	5.5	7.2	35.4	-36.8	0	0	0	115	V236	P234-V236 VanDerWaalsContact C-N 3.3Å; P234-V236 PolarHBondContact O-N 3.45Å
235	N	94.2	Very high	95.5	Very high	120 Å²	120	60.3 Å²	60.3	64%	0.642	31%	0.313	S	S	*	.	S	Bend	trans	-81.3	-8.1	-173.2	-64.1	-34	0	0	0	114	T231 Y232	T231-N235 HydrophobicContact CG2-CB 3.76Å; Y232-N235 PolarHBondContact O-N 3.43Å
236	V	95.5	Very high	95.4	Very high	13 Å²	13	55 Å²	55	8%	0.079	29%	0.289	C	S	.	.			trans	-82	125	175.6	177.9	0	0	0	0	110.4	T231 K233 P234 T238 V345 I348	T231-V236 HydrophobicContact CG2-CG2 4.19Å; T231-V236 WeakPolarHBondContact O-CG2 3.26Å; K233-V236 HydrophobicContact CG-CB 4.42Å; P234-V236 VanDerWaalsContact C-N 3.3Å; P234-V236 PolarHBondContact O-N 3.45Å; V236-T238 HydrophobicContact CG1-CG2 4.26Å; V236-V345 HydrophobicContact CG1-CG1 4.05Å; V236-I348 HydrophobicContact CG1-CD1 3.83Å; V236-I348 HydrophobicContact CG1-CG1 3.94Å; V236-I348 HydrophobicContact CG2-CG1 4.36Å
237	Q	96.7	Very high	95.5	Very high	43 Å²	43	53.7 Å²	53.7	20%	0.201	28%	0.282	C	S	.	.			trans	-89.7	123.5	174.8	-55.5	-55.5	-52.2	0	0	110.3	Y255 L260 P261	Q237-Y255 HydrophobicContact CG-CD1 3.79Å; Q237-Y255 HydrophobicContact CG-CD2 3.66Å; Q237-Y255 HydrophobicContact CG-CE1 4.17Å; Q237-Y255 HydrophobicContact CG-CE2 4.07Å; Q237-Y255 HydrophobicContact CG-CG 3.51Å; Q237-Y255 VanDerWaalsContact OE1-CZ 3.25Å; Q237-L260 HydrophobicContact CB-CD2 3.76Å; Q237-P261 WeakPolarHBondContact O-CD 3.48Å
238	T	97	Very high	95.6	Very high	49 Å²	49	52.5 Å²	52.5	30%	0.301	28%	0.276	S	S	.	.			trans	-116.3	152.9	174.7	54.8	0	0	0	0	110.2	V236 P261 V263 V345	V236-T238 HydrophobicContact CG1-CG2 4.26Å; T238-P261 WeakPolarHBondContact CA-O 3.16Å; T238-P261 HydrophobicContact CG2-CB 4.25Å; T238-P261 HydrophobicContact CG2-CG 4.34Å; T238-V263 HydrophobicContact CG2-CG1 4.15Å; T238-V345 HydrophobicContact CG2-CB 4.38Å; T238-V345 HydrophobicContact CG2-CG1 4.25Å
239	I	97.4	Very high	95.7	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	164.4	171	59.4	175.1	0	0	0	109.7	T243 A248 L251 L260 P261 I262 V263 V295	I239-T243 HydrophobicContact CB-CG2 3.94Å; I239-T243 HydrophobicContact CG2-CG2 3.85Å; I239-A248 HydrophobicContact CD1-CB 4.2Å; I239-L251 HydrophobicContact CG2-CD1 3.39Å; I239-L260 HydrophobicContact CD1-CB 3.98Å; I239-L260 HydrophobicContact CD1-CD1 4.44Å; I239-L260 HydrophobicContact CG1-CB 3.93Å; I239-L260 HydrophobicContact CG2-CB 3.98Å; I239-L260 HydrophobicContact CG2-CD1 3.79Å; I239-L260 HydrophobicContact CG2-CD2 4.45Å; I239-L260 HydrophobicContact CG2-CG 4.27Å; I239-P261 PolarHBondContact N-O 2.97Å; I239-I262 HydrophobicContact CD1-CD1 4.33Å; I239-I262 HydrophobicContact CD1-CG1 3.97Å; I239-I262 HydrophobicContact CG1-CB 4.38Å; I239-I262 HydrophobicContact CG1-CG1 3.91Å; I239-I262 CarbonylContact O-C 3.52Å; I239-I262 WeakPolarHBondContact O-CA 3.38Å; I239-V263 WeakPolarHBondContact O-CG2 3.38Å; I239-V263 PolarHBondContact O-N 2.9Å; I239-V295 HydrophobicContact CD1-CB 4.25Å; I239-V295 HydrophobicContact CD1-CG1 4.12Å; I239-V295 HydrophobicContact CD1-CG2 4.19Å
240	T	97	Very high	95.7	Very high	40 Å²	40	48.8 Å²	48.8	25%	0.245	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	172.5	-179.5	82.7	0	0	0	0	111.4	N242 T243 V263 D265	T240-N242 PolarHBondContact O-N 2.91Å; T240-N242 VanDerWaalsContact O-N 3.13Å; T240-N242 PolarHBondContact OG1-N 2.94Å; T240-T243 PolarHBondContact N-OG1 2.97Å; T240-T243 WeakPolarHBondContact O-CB 3.34Å; T240-T243 PolarHBondContact O-N 3.3Å; T240-T243 VanDerWaalsContact O-N 3.11Å; T240-T243 PolarHBondContact O-OG1 3.4Å; T240-V263 WeakPolarHBondContact CA-O 3.34Å; T240-D265 WeakPolarHBondContact CB-OD1 3.41Å; T240-D265 WeakPolarHBondContact CG2-OD1 3.3Å; T240-D265 PolarHBondContact OG1-OD1 2.82Å; T240-D265 VanDerWaalsContact OG1-OD1 3.07Å; T240-D265 PolarHBondContact OG1-OD2 2.64Å
241	N	92.9	Very high	95.8	Very high	28 Å²	28	49.8 Å²	49.8	15%	0.15	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.3	178.5	-67.7	-23.8	0	0	0	113.1	I262 I271 Y296	N241-I262 WeakPolarHBondContact OD1-CG2 3.42Å; N241-I271 VanDerWaalsContact CG-CD1 3.49Å; N241-I271 WeakPolarHBondContact ND2-CD1 3.31Å; N241-I271 WeakPolarHBondContact OD1-CD1 3.35Å; N241-Y296 HydrophobicContact CB-CD2 4.27Å; N241-Y296 HydrophobicContact CB-CG 4.35Å; N241-Y296 WeakPolarHBondContact O-CB 3.49Å; N241-Y296 VanDerWaalsContact OD1-CD2 3.27Å; N241-Y296 WeakPolarHBondContact OD1-CD2 3.37Å
242	N	95.5	Very high	95.8	Very high	93 Å²	93	47 Å²	47	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.8	-179.2	-68.8	-49.8	0	0	0	113.9	T240 T244 D265	T240-N242 PolarHBondContact O-N 2.91Å; T240-N242 VanDerWaalsContact O-N 3.13Å; T240-N242 PolarHBondContact OG1-N 2.94Å; N242-T244 PolarHBondContact O-N 3.3Å; N242-D265 PolarHBondContact ND2-OD2 3.19Å
243	T	96.8	Very high	95.6	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.11	24%	0.244	C	C	.	.			trans	-67	129.8	-179.9	-53	0	0	0	0	111.1	I239 T240 E247 A248 R294 V295	I239-T243 HydrophobicContact CB-CG2 3.94Å; I239-T243 HydrophobicContact CG2-CG2 3.85Å; T240-T243 PolarHBondContact N-OG1 2.97Å; T240-T243 WeakPolarHBondContact O-CB 3.34Å; T240-T243 PolarHBondContact O-N 3.3Å; T240-T243 VanDerWaalsContact O-N 3.11Å; T240-T243 PolarHBondContact O-OG1 3.4Å; T243-E247 HydrophobicContact CG2-CB 3.78Å; T243-A248 HydrophobicContact CG2-CB 4.49Å; T243-R294 WeakPolarHBondContact O-CA 3.41Å; T243-V295 PolarHBondContact O-N 2.96Å
244	T	95.7	Very high	95.6	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-75	159.9	175.9	63.3	0	0	0	0	112.3	N242 I246 E247 A248 N292 V293	N242-T244 PolarHBondContact O-N 3.3Å; T244-I246 VanDerWaalsContact C-N 3.33Å; T244-I246 PolarHBondContact O-N 2.97Å; T244-I246 VanDerWaalsContact OG1-CG2 3.3Å; T244-I246 WeakPolarHBondContact OG1-CG2 3.29Å; T244-E247 PolarHBondContact N-OE2 3.23Å; T244-E247 PolarHBondContact O-N 3.18Å; T244-E247 WeakPolarHBondContact OG1-CB 3.47Å; T244-E247 WeakPolarHBondContact OG1-CG 3.12Å; T244-E247 PolarHBondContact OG1-N 3.48Å; T244-E247 PolarHBondContact OG1-OE2 3.24Å; T244-A248 PolarHBondContact O-N 3.08Å; T244-A248 VanDerWaalsContact O-N 3.08Å; T244-N292 VanDerWaalsContact CG2-O 3.31Å; T244-N292 WeakPolarHBondContact CG2-O 3.44Å; T244-V293 CarbonylContact C-O 3.46Å; T244-V293 WeakPolarHBondContact CA-O 3.38Å
245	I	95.2	Very high	95.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-47.5	174.7	-69.1	161.1	0	0	0	110.3	E247 A248 L249 L282 L291 V293 V295 A298	I245-E247 VanDerWaalsContact C-N 3.3Å; I245-E247 PolarHBondContact O-N 3.05Å; I245-A248 PolarHBondContact O-N 2.77Å; I245-A248 VanDerWaalsContact O-N 3.12Å; I245-L249 HydrophobicContact CG2-CD1 4.13Å; I245-L249 HydrophobicContact CG2-CD2 4.4Å; I245-L249 HydrophobicContact CG2-CG 3.97Å; I245-L249 VanDerWaalsContact O-CG 3.28Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 2.93Å; I245-L282 HydrophobicContact CD1-CD2 3.88Å; I245-L282 HydrophobicContact CG2-CD1 3.76Å; I245-L291 HydrophobicContact CB-CB 4.47Å; I245-L291 WeakPolarHBondContact CB-O 3.07Å; I245-L291 HydrophobicContact CG2-CB 4.33Å; I245-L291 HydrophobicContact CG2-CD2 3.91Å; I245-L291 PolarHBondContact N-O 2.96Å; I245-V293 HydrophobicContact CD1-CB 4.35Å; I245-V293 PolarHBondContact N-O 3.06Å; I245-V295 HydrophobicContact CG1-CG2 4.1Å; I245-A298 HydrophobicContact CD1-CB 3.84Å; I245-A298 HydrophobicContact CG1-CB 4.35Å
246	I	94.3	Very high	95.4	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-40	-177.9	-175.5	60	0	0	0	112.3	V127 Y130 T244 L249 K250 L291	V127-I246 HydrophobicContact CG2-CD1 4.31Å; Y130-I246 HydrophobicContact CD1-CB 4.34Å; Y130-I246 HydrophobicContact CD1-CD1 3.84Å; Y130-I246 HydrophobicContact CD1-CG1 3.87Å; Y130-I246 HydrophobicContact CE1-CB 4.33Å; Y130-I246 HydrophobicContact CE1-CG1 4.3Å; Y130-I246 HydrophobicContact CG-CD1 4.32Å; T244-I246 VanDerWaalsContact C-N 3.33Å; T244-I246 PolarHBondContact O-N 2.97Å; T244-I246 VanDerWaalsContact OG1-CG2 3.3Å; T244-I246 WeakPolarHBondContact OG1-CG2 3.29Å; I246-L249 PolarHBondContact O-N 2.73Å; I246-K250 HydrophobicContact CG1-CD 4.49Å; I246-K250 WeakPolarHBondContact O-CG 3.34Å; I246-K250 PolarHBondContact O-N 2.89Å; I246-L291 HydrophobicContact CB-CB 3.89Å; I246-L291 HydrophobicContact CD1-CD1 4.2Å; I246-L291 PolarHBondContact N-O 2.9Å
247	E	96.1	Very high	95.3	Very high	95 Å²	95	49.1 Å²	49.1	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-46.9	174.4	-72.1	165.8	146.9	0	0	111.2	T243 T244 I245 L249 K250 L251	T243-E247 HydrophobicContact CG2-CB 3.78Å; T244-E247 PolarHBondContact N-OE2 3.23Å; T244-E247 PolarHBondContact O-N 3.18Å; T244-E247 WeakPolarHBondContact OG1-CB 3.47Å; T244-E247 WeakPolarHBondContact OG1-CG 3.12Å; T244-E247 PolarHBondContact OG1-N 3.48Å; T244-E247 PolarHBondContact OG1-OE2 3.24Å; I245-E247 VanDerWaalsContact C-N 3.3Å; I245-E247 PolarHBondContact O-N 3.05Å; E247-L249 VanDerWaalsContact C-N 3.32Å; E247-L249 PolarHBondContact O-N 2.78Å; E247-K250 WeakPolarHBondContact O-CB 3.4Å; E247-K250 PolarHBondContact O-N 3.5Å; E247-L251 WeakPolarHBondContact O-CG 3.36Å; E247-L251 PolarHBondContact O-N 3.11Å
248	A	97.2	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-38.7	176.5	0	0	0	0	0	112.6	I239 T243 T244 I245 L251 F252 L260 Y274 V295	I239-A248 HydrophobicContact CD1-CB 4.2Å; T243-A248 HydrophobicContact CG2-CB 4.49Å; T244-A248 PolarHBondContact O-N 3.08Å; T244-A248 VanDerWaalsContact O-N 3.08Å; I245-A248 PolarHBondContact O-N 2.77Å; I245-A248 VanDerWaalsContact O-N 3.12Å; A248-L251 WeakPolarHBondContact O-CB 3.34Å; A248-L251 PolarHBondContact O-N 3.22Å; A248-F252 WeakPolarHBondContact O-CD2 3.29Å; A248-F252 PolarHBondContact O-N 3.48Å; A248-L260 HydrophobicContact CB-CD1 3.89Å; A248-L260 WeakPolarHBondContact O-CD1 3.22Å; A248-Y274 HydrophobicContact CB-CD1 3.9Å; A248-Y274 HydrophobicContact CB-CE1 3.93Å; A248-V295 HydrophobicContact CB-CG2 3.73Å
249	L	95.8	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-42.7	174.8	-65	-165.6	0	0	0	111.8	I123 L126 V127 I245 I246 E247 L251 F252 L253 Y274 V279 L291	I123-L249 HydrophobicContact CG1-CD2 4.2Å; I123-L249 HydrophobicContact CG2-CB 4Å; I123-L249 HydrophobicContact CG2-CD2 4.12Å; I123-L249 HydrophobicContact CG2-CG 4.46Å; L126-L249 HydrophobicContact CB-CD1 3.93Å; L126-L249 HydrophobicContact CD1-CD1 3.85Å; V127-L249 HydrophobicContact CG2-CB 3.52Å; V127-L249 HydrophobicContact CG2-CD1 4.37Å; I245-L249 HydrophobicContact CG2-CD1 4.13Å; I245-L249 HydrophobicContact CG2-CD2 4.4Å; I245-L249 HydrophobicContact CG2-CG 3.97Å; I245-L249 VanDerWaalsContact O-CG 3.28Å; I245-L249 WeakPolarHBondContact O-CG 3.5Å; I245-L249 PolarHBondContact O-N 2.93Å; I246-L249 PolarHBondContact O-N 2.73Å; E247-L249 VanDerWaalsContact C-N 3.32Å; E247-L249 PolarHBondContact O-N 2.78Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.02Å; L249-F252 HydrophobicContact CD2-CD2 4Å; L249-F252 HydrophobicContact CD2-CE2 4.26Å; L249-F252 WeakPolarHBondContact O-CB 3.36Å; L249-F252 PolarHBondContact O-N 3.16Å; L249-L253 PolarHBondContact O-N 2.82Å; L249-Y274 HydrophobicContact CD2-CE1 4.49Å; L249-V279 HydrophobicContact CD2-CB 4.35Å; L249-V279 HydrophobicContact CD2-CG1 3.82Å; L249-V279 HydrophobicContact CD2-CG2 3.51Å; L249-L291 HydrophobicContact CD1-CD1 4.23Å
250	K	95.8	Very high	95	Very high	115 Å²	115	46.4 Å²	46.4	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-41	173.9	-73.1	171.1	178.3	175.9	0	111.4	V127 I246 E247 F252 L253 K254	V127-K250 HydrophobicContact CG1-CG 3.96Å; V127-K250 HydrophobicContact CG2-CG 4.45Å; I246-K250 HydrophobicContact CG1-CD 4.49Å; I246-K250 WeakPolarHBondContact O-CG 3.34Å; I246-K250 PolarHBondContact O-N 2.89Å; E247-K250 WeakPolarHBondContact O-CB 3.4Å; E247-K250 PolarHBondContact O-N 3.5Å; K250-F252 PolarHBondContact O-N 3.48Å; K250-L253 PolarHBondContact O-N 3.36Å; K250-K254 WeakPolarHBondContact O-CB 3.5Å; K250-K254 PolarHBondContact O-N 3.4Å
251	L	96.9	Very high	95	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-39.4	175.8	-67.6	173	0	0	0	112.4	I239 E247 A248 L249 L253 K254 Y255 L260	I239-L251 HydrophobicContact CG2-CD1 3.39Å; E247-L251 WeakPolarHBondContact O-CG 3.36Å; E247-L251 PolarHBondContact O-N 3.11Å; A248-L251 WeakPolarHBondContact O-CB 3.34Å; A248-L251 PolarHBondContact O-N 3.22Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.02Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 2.86Å; L251-K254 PolarHBondContact O-N 2.97Å; L251-Y255 HydrophobicContact CB-CD2 4.43Å; L251-Y255 HydrophobicContact CD2-CD2 3.92Å; L251-Y255 HydrophobicContact CD2-CE2 3.5Å; L251-Y255 PolarHBondContact O-N 2.84Å; L251-L260 HydrophobicContact CB-CD1 3.77Å; L251-L260 HydrophobicContact CB-CD2 4.17Å; L251-L260 HydrophobicContact CD1-CD1 4.09Å
252	F	95.6	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-37.7	174.2	-75.4	-40.3	0	0	0	113.5	I123 A248 L249 K250 Q256 V257 C259 L260 Y274 K276 V279	I123-F252 HydrophobicContact CD1-CB 4.42Å; I123-F252 HydrophobicContact CD1-CD2 3.9Å; I123-F252 HydrophobicContact CD1-CG 4.37Å; I123-F252 HydrophobicContact CG2-CB 4.36Å; A248-F252 WeakPolarHBondContact O-CD2 3.29Å; A248-F252 PolarHBondContact O-N 3.48Å; L249-F252 HydrophobicContact CD2-CD2 4Å; L249-F252 HydrophobicContact CD2-CE2 4.26Å; L249-F252 WeakPolarHBondContact O-CB 3.36Å; L249-F252 PolarHBondContact O-N 3.16Å; K250-F252 PolarHBondContact O-N 3.48Å; F252-Q256 VanDerWaalsContact O-CA 3.23Å; F252-Q256 WeakPolarHBondContact O-CA 3.15Å; F252-Q256 PolarHBondContact O-N 3.48Å; F252-V257 HydrophobicContact CD1-CG2 4.1Å; F252-V257 WeakPolarHBondContact CD1-O 3.46Å; F252-C259 VanDerWaalsContact CE1-CA 3.45Å; F252-L260 HydrophobicContact CD1-CD1 4.2Å; F252-L260 HydrophobicContact CD1-CG 4.23Å; F252-L260 HydrophobicContact CE1-CD1 3.88Å; F252-L260 HydrophobicContact CE1-CG 3.74Å; F252-L260 HydrophobicContact CZ-CD1 4.14Å; F252-L260 HydrophobicContact CZ-CG 4.31Å; F252-Y274 AromaticContact CE2-CD1 3.74Å; F252-Y274 HydrophobicContact CE2-CD1 3.74Å; F252-Y274 AromaticContact CE2-CE1 3.72Å; F252-Y274 HydrophobicContact CE2-CE1 3.72Å; F252-Y274 AromaticContact CZ-CD1 3.72Å; F252-Y274 HydrophobicContact CZ-CD1 3.72Å; F252-Y274 HydrophobicContact CZ-CE1 4.18Å; F252-Y274 HydrophobicContact CZ-CG 4.45Å; F252-Y274 WeakPolarHBondContact CZ-O 3.27Å; F252-K276 HydrophobicContact CD1-CG 3.98Å; F252-K276 HydrophobicContact CD2-CG 4.21Å; F252-K276 HydrophobicContact CE1-CG 4.2Å; F252-K276 HydrophobicContact CE2-CG 4.37Å; F252-K276 HydrophobicContact CG-CG 4.03Å; F252-K276 HydrophobicContact CZ-CG 4.39Å; F252-V279 HydrophobicContact CD2-CG2 4.44Å; F252-V279 HydrophobicContact CE2-CG2 3.98Å
253	L	93	Very high	95.2	Very high	48 Å²	48	39.4 Å²	39.4	25%	0.251	19%	0.19	S	C	.	.	H	α-helix	trans	-78.6	-45.5	179.5	-60.2	-178	0	0	0	111	T120 I123 K124 V127 L249 K250 L251	T120-L253 HydrophobicContact CG2-CD2 4.41Å; I123-L253 HydrophobicContact CB-CD2 4.38Å; I123-L253 HydrophobicContact CG2-CD1 4.26Å; I123-L253 HydrophobicContact CG2-CD2 3.79Å; I123-L253 HydrophobicContact CG2-CG 3.87Å; K124-L253 HydrophobicContact CG-CD1 4.12Å; K124-L253 HydrophobicContact CG-CD2 3.52Å; K124-L253 HydrophobicContact CG-CG 4.49Å; V127-L253 HydrophobicContact CB-CD1 3.85Å; V127-L253 HydrophobicContact CG1-CD1 4.06Å; V127-L253 HydrophobicContact CG2-CD1 3.84Å; L249-L253 PolarHBondContact O-N 2.82Å; K250-L253 PolarHBondContact O-N 3.36Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 2.86Å
254	K	94.3	Very high	95.1	Very high	148 Å²	148	40.2 Å²	40.2	64%	0.643	19%	0.194	S	C	*	.	H	α-helix	trans	-60.7	-49.2	-178.1	-177.7	179	178.1	-167.9	0	112.4	K250 L251	K250-K254 WeakPolarHBondContact O-CB 3.5Å; K250-K254 PolarHBondContact O-N 3.4Å; L251-K254 PolarHBondContact O-N 2.97Å
255	Y	93.6	Very high	94.9	Very high	90 Å²	90	42.8 Å²	42.8	35%	0.353	21%	0.207	S	C	.	.	S	Bend	trans	-97.4	-1.3	-175.8	-62.6	-77.7	0	0	0	113.2	Q237 L251 V257	Q237-Y255 HydrophobicContact CG-CD1 3.79Å; Q237-Y255 HydrophobicContact CG-CD2 3.66Å; Q237-Y255 HydrophobicContact CG-CE1 4.17Å; Q237-Y255 HydrophobicContact CG-CE2 4.07Å; Q237-Y255 HydrophobicContact CG-CG 3.51Å; Q237-Y255 VanDerWaalsContact OE1-CZ 3.25Å; L251-Y255 HydrophobicContact CB-CD2 4.43Å; L251-Y255 HydrophobicContact CD2-CD2 3.92Å; L251-Y255 HydrophobicContact CD2-CE2 3.5Å; L251-Y255 PolarHBondContact O-N 2.84Å; Y255-V257 WeakPolarHBondContact O-CG1 3.48Å; Y255-V257 PolarHBondContact O-N 2.69Å
256	Q	90.9	Very high	94.7	Very high	139 Å²	139	51.2 Å²	51.2	65%	0.65	25%	0.246	S	C	*	.			trans	52.6	24.3	-177.6	-56.6	-172.5	22.9	0	0	114.5	F252	F252-Q256 VanDerWaalsContact O-CA 3.23Å; F252-Q256 WeakPolarHBondContact O-CA 3.15Å; F252-Q256 PolarHBondContact O-N 3.48Å
257	V	93	Very high	94.6	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.248	26%	0.257	C	S	.	.			trans	-81.1	155.2	-177.6	-64.9	0	0	0	0	112.2	F252 Y255 C259 L260 K276	F252-V257 HydrophobicContact CD1-CG2 4.1Å; F252-V257 WeakPolarHBondContact CD1-O 3.46Å; Y255-V257 WeakPolarHBondContact O-CG1 3.48Å; Y255-V257 PolarHBondContact O-N 2.69Å; V257-C259 VanDerWaalsContact CG2-O 3.29Å; V257-C259 WeakPolarHBondContact CG2-O 3.47Å; V257-L260 HydrophobicContact CG2-CD2 3.9Å; V257-L260 HydrophobicContact CG2-CG 4.49Å; V257-K276 WeakPolarHBondContact O-CE 3.39Å; V257-K276 PolarHBondContact O-NZ 2.65Å
258	S	92.5	Very high	94.5	Very high	33 Å²	33	50 Å²	50	23%	0.231	25%	0.249	C	C	.	.	S	Bend	trans	-85.4	-14.7	177.1	64.7	0	0	0	0	113.3	K276 R335	S258-K276 PolarHBondContact O-N 2.82Å; S258-R335 VanDerWaalsContact CB-NH1 3.28Å; S258-R335 PolarHBondContact O-NH1 2.86Å; S258-R335 PolarHBondContact OG-NH1 2.69Å
259	C	95.4	Very high	94.5	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	170	174.9	60.2	0	0	0	0	115.6	F252 V257 I273 Y274 R335	F252-C259 VanDerWaalsContact CE1-CA 3.45Å; V257-C259 VanDerWaalsContact CG2-O 3.29Å; V257-C259 WeakPolarHBondContact CG2-O 3.47Å; C259-I273 HydrophobicContact CB-CD1 4.08Å; C259-I273 HydrophobicContact CB-CG1 3.98Å; C259-Y274 CarbonylContact C-O 3.58Å; C259-Y274 WeakPolarHBondContact CA-O 3.48Å; C259-Y274 VanDerWaalsContact CB-O 3.24Å; C259-Y274 WeakPolarHBondContact CB-O 3.41Å; C259-R335 VanDerWaalsContact CB-NH1 3.28Å; C259-R335 WeakPolarHBondContact SG-CD 3.39Å; C259-R335 PolarHBondContact SG-NE 3.22Å
260	L	97.1	Very high	94.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.6	169.6	-58.8	164.6	0	0	0	107.4	Q237 I239 A248 L251 F252 V257 Y274	Q237-L260 HydrophobicContact CB-CD2 3.76Å; I239-L260 HydrophobicContact CD1-CB 3.98Å; I239-L260 HydrophobicContact CD1-CD1 4.44Å; I239-L260 HydrophobicContact CG1-CB 3.93Å; I239-L260 HydrophobicContact CG2-CB 3.98Å; I239-L260 HydrophobicContact CG2-CD1 3.79Å; I239-L260 HydrophobicContact CG2-CD2 4.45Å; I239-L260 HydrophobicContact CG2-CG 4.27Å; A248-L260 HydrophobicContact CB-CD1 3.89Å; A248-L260 WeakPolarHBondContact O-CD1 3.22Å; L251-L260 HydrophobicContact CB-CD1 3.77Å; L251-L260 HydrophobicContact CB-CD2 4.17Å; L251-L260 HydrophobicContact CD1-CD1 4.09Å; F252-L260 HydrophobicContact CD1-CD1 4.2Å; F252-L260 HydrophobicContact CD1-CG 4.23Å; F252-L260 HydrophobicContact CE1-CD1 3.88Å; F252-L260 HydrophobicContact CE1-CG 3.74Å; F252-L260 HydrophobicContact CZ-CD1 4.14Å; F252-L260 HydrophobicContact CZ-CG 4.31Å; V257-L260 HydrophobicContact CG2-CD2 3.9Å; V257-L260 HydrophobicContact CG2-CG 4.49Å; L260-Y274 PolarHBondContact N-O 3.42Å; L260-Y274 PolarHBondContact O-N 3.01Å
261	P	96.9	Very high	94.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.2	165.3	-17.3	32.6	0	0	0	109.5	Q237 T238 I239 L270 I337 V345 I348	Q237-P261 WeakPolarHBondContact O-CD 3.48Å; T238-P261 WeakPolarHBondContact CA-O 3.16Å; T238-P261 HydrophobicContact CG2-CB 4.25Å; T238-P261 HydrophobicContact CG2-CG 4.34Å; I239-P261 PolarHBondContact N-O 2.97Å; P261-L270 HydrophobicContact CB-CD1 3.73Å; P261-I337 HydrophobicContact CG-CD1 3.84Å; P261-V345 HydrophobicContact CB-CG2 4.02Å; P261-V345 HydrophobicContact CG-CG1 4.4Å; P261-I348 HydrophobicContact CG-CD1 3.83Å; P261-I348 HydrophobicContact CG-CG1 4.46Å
262	I	96.7	Very high	94.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.5	175.4	-45.3	-169	0	0	0	107.6	I239 N241 I271 E272 V295 L299	I239-I262 HydrophobicContact CD1-CD1 4.33Å; I239-I262 HydrophobicContact CD1-CG1 3.97Å; I239-I262 HydrophobicContact CG1-CB 4.38Å; I239-I262 HydrophobicContact CG1-CG1 3.91Å; I239-I262 CarbonylContact O-C 3.52Å; I239-I262 WeakPolarHBondContact O-CA 3.38Å; N241-I262 WeakPolarHBondContact OD1-CG2 3.42Å; I262-I271 PolarHBondContact O-N 3.22Å; I262-E272 HydrophobicContact CB-CB 4.29Å; I262-E272 HydrophobicContact CD1-CB 4.11Å; I262-E272 HydrophobicContact CG1-CB 4.31Å; I262-E272 PolarHBondContact N-O 2.96Å; I262-E272 PolarHBondContact O-N 3.28Å; I262-V295 HydrophobicContact CD1-CB 4.47Å; I262-V295 HydrophobicContact CD1-CG1 3.65Å; I262-L299 HydrophobicContact CD1-CD1 3.64Å
263	V	96.5	Very high	94.1	Very high	14 Å²	14	50.6 Å²	50.6	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.5	178.4	-60.6	0	0	0	0	111.2	T238 I239 T240 Q269 V345	T238-V263 HydrophobicContact CG2-CG1 4.15Å; I239-V263 WeakPolarHBondContact O-CG2 3.38Å; I239-V263 PolarHBondContact O-N 2.9Å; T240-V263 WeakPolarHBondContact CA-O 3.34Å; V263-Q269 CarbonylContact C-O 3.36Å; V263-Q269 WeakPolarHBondContact CA-O 3.25Å; V263-V345 HydrophobicContact CG1-CG2 3.81Å
264	N	95.2	Very high	94.2	Very high	35 Å²	35	48.5 Å²	48.5	19%	0.187	24%	0.243	C	C	.	.			trans	-66.7	137.1	171.5	-167.5	-7.4	0	0	0	109.9	E266 D267 G268 Q269 I271	N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.05Å; N264-E266 PolarHBondContact OD1-N 3.04Å; N264-D267 WeakPolarHBondContact CB-OD1 3.49Å; N264-D267 PolarHBondContact ND2-OD1 3.16Å; N264-D267 PolarHBondContact ND2-OD2 3.25Å; N264-G268 VanDerWaalsContact O-CA 3.3Å; N264-G268 WeakPolarHBondContact O-CA 3.33Å; N264-G268 PolarHBondContact O-N 2.93Å; N264-G268 VanDerWaalsContact O-N 3.09Å; N264-Q269 PolarHBondContact N-O 2.93Å; N264-I271 VanDerWaalsContact CA-CD1 3.45Å; N264-I271 HydrophobicContact CB-CD1 3.59Å; N264-I271 HydrophobicContact CB-CG1 4.12Å
265	D	90.7	Very high	94.2	Very high	81 Å²	81	42 Å²	42	43%	0.433	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.4	176.1	-77.5	-50.9	0	0	0	112.1	T240 N242	T240-D265 WeakPolarHBondContact CB-OD1 3.41Å; T240-D265 WeakPolarHBondContact CG2-OD1 3.3Å; T240-D265 PolarHBondContact OG1-OD1 2.82Å; T240-D265 VanDerWaalsContact OG1-OD1 3.07Å; T240-D265 PolarHBondContact OG1-OD2 2.64Å; N242-D265 PolarHBondContact ND2-OD2 3.19Å
266	E	91.6	Very high	94.1	Very high	179 Å²	179	38.9 Å²	38.9	84%	0.836	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-47.9	-172.7	-63.4	179.6	178.4	0	0	113.6	N264	N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.05Å; N264-E266 PolarHBondContact OD1-N 3.04Å
267	D	92.8	Very high	93.9	Very high	57 Å²	57	35.5 Å²	35.5	31%	0.305	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-11.8	-171.8	59.6	29.4	0	0	0	113.9	N264 Q269 K344	N264-D267 WeakPolarHBondContact CB-OD1 3.49Å; N264-D267 PolarHBondContact ND2-OD1 3.16Å; N264-D267 PolarHBondContact ND2-OD2 3.25Å; D267-Q269 VanDerWaalsContact C-N 3.29Å; D267-Q269 HydrophobicContact CB-CG 4.27Å; D267-Q269 WeakPolarHBondContact OD1-CB 3.41Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.41Å; D267-Q269 PolarHBondContact OD1-N 2.94Å; D267-K344 WeakPolarHBondContact O-CE 3.05Å; D267-K344 PolarHBondContact O-NZ 2.9Å
268	G	93.4	Very high	93.7	Very high	26 Å²	26	34 Å²	34	27%	0.268	18%	0.179	S	C	.	.			trans	73.8	12.7	-176.9	0	0	0	0	0	115.1	N264	N264-G268 VanDerWaalsContact O-CA 3.3Å; N264-G268 WeakPolarHBondContact O-CA 3.33Å; N264-G268 PolarHBondContact O-N 2.93Å; N264-G268 VanDerWaalsContact O-N 3.09Å
269	Q	96.2	Very high	93.6	Very high	73 Å²	73	32.5 Å²	32.5	34%	0.341	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-72.6	147.3	177.9	-66.7	-172.7	-21.9	0	0	111.8	V263 N264 D267 I271 N342 N343 K344	V263-Q269 CarbonylContact C-O 3.36Å; V263-Q269 WeakPolarHBondContact CA-O 3.25Å; N264-Q269 PolarHBondContact N-O 2.93Å; D267-Q269 VanDerWaalsContact C-N 3.29Å; D267-Q269 HydrophobicContact CB-CG 4.27Å; D267-Q269 WeakPolarHBondContact OD1-CB 3.41Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.41Å; D267-Q269 PolarHBondContact OD1-N 2.94Å; Q269-I271 PolarHBondContact O-N 3.4Å; Q269-N342 WeakPolarHBondContact CG-O 3.31Å; Q269-N342 PolarHBondContact NE2-O 3.13Å; Q269-N343 CarbonylContact C-O 3.59Å; Q269-N343 WeakPolarHBondContact CA-O 3.43Å; Q269-K344 HydrophobicContact CG-CG 4.47Å
270	L	96.2	Very high	93	Very high	13 Å²	13	33 Å²	33	7%	0.068	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.9	174.3	178.1	67.3	0	0	0	110.2	P261 E272 P312 T314 I337 I339 N343 V345	P261-L270 HydrophobicContact CB-CD1 3.73Å; L270-E272 WeakPolarHBondContact CD1-O 3.48Å; L270-P312 HydrophobicContact CD2-CB 4.21Å; L270-T314 HydrophobicContact CD2-CG2 3.58Å; L270-I337 HydrophobicContact CD1-CG2 4.46Å; L270-I337 HydrophobicContact CD2-CB 4.01Å; L270-I337 HydrophobicContact CD2-CG1 4.28Å; L270-I337 HydrophobicContact CD2-CG2 3.88Å; L270-I339 HydrophobicContact CD2-CG2 3.99Å; L270-N343 PolarHBondContact N-O 2.97Å; L270-N343 PolarHBondContact O-ND2 3.35Å; L270-V345 HydrophobicContact CB-CG2 4.02Å; L270-V345 HydrophobicContact CD1-CG2 3.91Å; L270-V345 HydrophobicContact CG-CG2 4.45Å
271	I	93.1	Very high	92.2	Very high	45 Å²	45	35.6 Å²	35.6	23%	0.231	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-49.8	176	-59.9	166.3	0	0	0	111.2	N241 I262 N264 Q269 Y296	N241-I271 VanDerWaalsContact CG-CD1 3.49Å; N241-I271 WeakPolarHBondContact ND2-CD1 3.31Å; N241-I271 WeakPolarHBondContact OD1-CD1 3.35Å; I262-I271 PolarHBondContact O-N 3.22Å; N264-I271 VanDerWaalsContact CA-CD1 3.45Å; N264-I271 HydrophobicContact CB-CD1 3.59Å; N264-I271 HydrophobicContact CB-CG1 4.12Å; Q269-I271 PolarHBondContact O-N 3.4Å; I271-Y296 HydrophobicContact CG2-CE2 3.86Å
272	E	93.2	Very high	91.6	Very high	7 Å²	7	36 Å²	36	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	175.9	-172.9	-164	42.2	-109.5	0	0	111.8	I262 L270 L299 R306 P312	I262-E272 HydrophobicContact CB-CB 4.29Å; I262-E272 HydrophobicContact CD1-CB 4.11Å; I262-E272 HydrophobicContact CG1-CB 4.31Å; I262-E272 PolarHBondContact N-O 2.96Å; I262-E272 PolarHBondContact O-N 3.28Å; L270-E272 WeakPolarHBondContact CD1-O 3.48Å; E272-L299 HydrophobicContact CG-CD1 3.94Å; E272-R306 IonicContact OE2-CZ 3.27Å; E272-R306 VanDerWaalsContact OE2-CZ 3.22Å; E272-R306 IonicContact OE2-NH1 2.75Å; E272-R306 PolarHBondContact OE2-NH1 3.36Å; E272-R306 IonicContact OE2-NH2 2.92Å; E272-R306 PolarHBondContact OE2-NH2 3.16Å; E272-P312 WeakPolarHBondContact OE1-CG 3.36Å
273	I	94.2	Very high	90.7	Very high	29 Å²	29	36.1 Å²	36.1	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.1	173.5	-169.1	171.2	0	0	0	111	C259 P312 I337	C259-I273 HydrophobicContact CB-CD1 4.08Å; C259-I273 HydrophobicContact CB-CG1 3.98Å; I273-P312 HydrophobicContact CB-CB 4.37Å; I273-P312 HydrophobicContact CB-CG 4.37Å; I273-P312 HydrophobicContact CG2-CB 4.23Å; I273-P312 HydrophobicContact CG2-CG 4.23Å; I273-I337 HydrophobicContact CD1-CD1 3.83Å; I273-I337 HydrophobicContact CD1-CG1 4.23Å
274	Y	94.9	Very high	89.8	Confident	4 Å²	4	40 Å²	40	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.5	168.5	-166.4	-126.9	0	0	0	110.1	A248 L249 F252 C259 L260 D278 V279 V295 L299	A248-Y274 HydrophobicContact CB-CD1 3.9Å; A248-Y274 HydrophobicContact CB-CE1 3.93Å; L249-Y274 HydrophobicContact CD2-CE1 4.49Å; F252-Y274 AromaticContact CE2-CD1 3.74Å; F252-Y274 HydrophobicContact CE2-CD1 3.74Å; F252-Y274 AromaticContact CE2-CE1 3.72Å; F252-Y274 HydrophobicContact CE2-CE1 3.72Å; F252-Y274 AromaticContact CZ-CD1 3.72Å; F252-Y274 HydrophobicContact CZ-CD1 3.72Å; F252-Y274 HydrophobicContact CZ-CE1 4.18Å; F252-Y274 HydrophobicContact CZ-CG 4.45Å; F252-Y274 WeakPolarHBondContact CZ-O 3.27Å; C259-Y274 CarbonylContact C-O 3.58Å; C259-Y274 WeakPolarHBondContact CA-O 3.48Å; C259-Y274 VanDerWaalsContact CB-O 3.24Å; C259-Y274 WeakPolarHBondContact CB-O 3.41Å; L260-Y274 PolarHBondContact N-O 3.42Å; L260-Y274 PolarHBondContact O-N 3.01Å; Y274-D278 HydrophobicContact CD2-CB 3.71Å; Y274-D278 HydrophobicContact CE2-CB 3.54Å; Y274-V279 HydrophobicContact CE1-CG2 4.3Å; Y274-V295 HydrophobicContact CD1-CG1 3.85Å; Y274-V295 HydrophobicContact CD1-CG2 4.21Å; Y274-V295 HydrophobicContact CD2-CG1 3.53Å; Y274-V295 HydrophobicContact CE1-CG1 4.29Å; Y274-V295 HydrophobicContact CE1-CG2 4.18Å; Y274-V295 HydrophobicContact CE2-CG1 4.01Å; Y274-V295 HydrophobicContact CG-CG1 3.43Å; Y274-V295 VanDerWaalsContact CG-CG1 3.43Å; Y274-L299 HydrophobicContact CD2-CD1 4.09Å; Y274-L299 HydrophobicContact CD2-CD2 4.16Å; Y274-L299 HydrophobicContact CD2-CG 4.38Å; Y274-L299 HydrophobicContact CE2-CD2 4.46Å
275	A	93.6	Very high	89.1	Confident	12 Å²	12	42.6 Å²	42.6	10%	0.099	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	155.4	178.8	0	0	0	0	0	111.3	F277 D278	A275-F277 HydrophobicContact CB-CB 4.45Å; A275-F277 PolarHBondContact O-N 3.21Å; A275-D278 PolarHBondContact N-OD2 3.41Å; A275-D278 VanDerWaalsContact O-CB 3.25Å; A275-D278 WeakPolarHBondContact O-CB 3.17Å; A275-D278 PolarHBondContact O-N 3.02Å
276	K	92.1	Very high	88.5	Confident	25 Å²	25	47.4 Å²	47.4	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-51.2	-35.1	168.3	-72.1	-172.2	164.5	169.4	0	112.6	I119 T120 I123 F252 V257 S258 D278 V279	I119-K276 WeakPolarHBondContact CG2-O 3.36Å; T120-K276 PolarHBondContact OG1-NZ 3.06Å; T120-K276 VanDerWaalsContact OG1-NZ 3.16Å; I123-K276 HydrophobicContact CD1-CB 3.92Å; I123-K276 HydrophobicContact CD1-CD 3.9Å; I123-K276 HydrophobicContact CD1-CG 3.56Å; F252-K276 HydrophobicContact CD1-CG 3.98Å; F252-K276 HydrophobicContact CD2-CG 4.21Å; F252-K276 HydrophobicContact CE1-CG 4.2Å; F252-K276 HydrophobicContact CE2-CG 4.37Å; F252-K276 HydrophobicContact CG-CG 4.03Å; F252-K276 HydrophobicContact CZ-CG 4.39Å; V257-K276 WeakPolarHBondContact O-CE 3.39Å; V257-K276 PolarHBondContact O-NZ 2.65Å; S258-K276 PolarHBondContact O-N 2.82Å; K276-D278 PolarHBondContact O-N 3.36Å; K276-V279 WeakPolarHBondContact O-CB 3.46Å; K276-V279 WeakPolarHBondContact O-CG2 3.35Å; K276-V279 PolarHBondContact O-N 2.97Å
277	F	86.5	Confident	87.9	Confident	68 Å²	68	40.9 Å²	40.9	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-29	177	-178	-110.2	0	0	0	113	R101 I119 A275 V279 I280	R101-F277 HydrophobicContact CG-CD2 4.09Å; R101-F277 HydrophobicContact CG-CE2 4.03Å; R101-F277 VanDerWaalsContact NE-CD2 3.33Å; R101-F277 VanDerWaalsContact NE-CE2 3.3Å; I119-F277 HydrophobicContact CD1-CD2 3.97Å; A275-F277 HydrophobicContact CB-CB 4.45Å; A275-F277 PolarHBondContact O-N 3.21Å; F277-V279 VanDerWaalsContact C-N 3.28Å; F277-V279 PolarHBondContact O-N 3.16Å; F277-I280 HydrophobicContact CE2-CG2 4.38Å; F277-I280 WeakPolarHBondContact O-CB 3.36Å; F277-I280 WeakPolarHBondContact O-CG2 3.3Å; F277-I280 PolarHBondContact O-N 3.24Å
278	D	88.5	Confident	87.2	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-74	-26.1	-176.2	-52.4	-21.5	0	0	0	111.6	Y274 A275 K276 I280 N281 R302	Y274-D278 HydrophobicContact CD2-CB 3.71Å; Y274-D278 HydrophobicContact CE2-CB 3.54Å; A275-D278 PolarHBondContact N-OD2 3.41Å; A275-D278 VanDerWaalsContact O-CB 3.25Å; A275-D278 WeakPolarHBondContact O-CB 3.17Å; A275-D278 PolarHBondContact O-N 3.02Å; K276-D278 PolarHBondContact O-N 3.36Å; D278-I280 PolarHBondContact O-N 3.47Å; D278-N281 VanDerWaalsContact O-CB 3.28Å; D278-N281 WeakPolarHBondContact O-CB 3.34Å; D278-N281 PolarHBondContact O-N 3.22Å; D278-R302 VanDerWaalsContact CG-CZ 3.48Å; D278-R302 VanDerWaalsContact CG-NH2 3.26Å; D278-R302 IonicContact OD1-CZ 3.22Å; D278-R302 IonicContact OD1-NH1 3.12Å; D278-R302 PolarHBondContact OD1-NH1 3.02Å; D278-R302 IonicContact OD1-NH2 2.78Å; D278-R302 PolarHBondContact OD1-NH2 2.82Å; D278-R302 IonicContact OD2-CZ 2.73Å; D278-R302 IonicContact OD2-NH1 3.93Å; D278-R302 PolarHBondContact OD2-NH1 3.34Å
279	V	90	Very high	86.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-30.1	175.4	-172.7	0	0	0	0	111.1	I119 F122 I123 L126 L249 F252 Y274 K276 F277 N281 L282	I119-V279 HydrophobicContact CG2-CB 4.49Å; F122-V279 HydrophobicContact CD1-CG1 3.95Å; F122-V279 HydrophobicContact CE1-CG1 4.04Å; I123-V279 HydrophobicContact CD1-CG2 4.03Å; I123-V279 HydrophobicContact CG1-CB 4.23Å; I123-V279 HydrophobicContact CG1-CG1 3.91Å; I123-V279 HydrophobicContact CG1-CG2 4.03Å; L126-V279 HydrophobicContact CD1-CG1 3.87Å; L249-V279 HydrophobicContact CD2-CB 4.35Å; L249-V279 HydrophobicContact CD2-CG1 3.82Å; L249-V279 HydrophobicContact CD2-CG2 3.51Å; F252-V279 HydrophobicContact CD2-CG2 4.44Å; F252-V279 HydrophobicContact CE2-CG2 3.98Å; Y274-V279 HydrophobicContact CE1-CG2 4.3Å; K276-V279 WeakPolarHBondContact O-CB 3.46Å; K276-V279 WeakPolarHBondContact O-CG2 3.35Å; K276-V279 PolarHBondContact O-N 2.97Å; F277-V279 VanDerWaalsContact C-N 3.28Å; F277-V279 PolarHBondContact O-N 3.16Å; V279-N281 PolarHBondContact O-N 2.98Å; V279-N281 VanDerWaalsContact O-N 3.15Å; V279-L282 HydrophobicContact CG1-CD1 3.99Å; V279-L282 VanDerWaalsContact O-CB 3.31Å; V279-L282 WeakPolarHBondContact O-CB 3.24Å; V279-L282 WeakPolarHBondContact O-CG 3.34Å; V279-L282 PolarHBondContact O-N 3.31Å
280	I	83	Confident	86	Confident	14 Å²	14	40.9 Å²	40.9	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-27	179.1	-147	172.9	0	0	0	112	I96 I119 F277 D278 L282 A283 I284	I96-I280 HydrophobicContact CD1-CG1 4.07Å; I96-I280 HydrophobicContact CG1-CD1 3.75Å; I96-I280 HydrophobicContact CG1-CG1 3.69Å; I119-I280 HydrophobicContact CD1-CD1 4.48Å; F277-I280 HydrophobicContact CE2-CG2 4.38Å; F277-I280 WeakPolarHBondContact O-CB 3.36Å; F277-I280 WeakPolarHBondContact O-CG2 3.3Å; F277-I280 PolarHBondContact O-N 3.24Å; D278-I280 PolarHBondContact O-N 3.47Å; I280-L282 PolarHBondContact O-N 3.28Å; I280-A283 WeakPolarHBondContact O-CB 3.36Å; I280-A283 PolarHBondContact O-N 2.9Å; I280-A283 VanDerWaalsContact O-N 3.09Å; I280-I284 HydrophobicContact CG2-CD1 4.4Å; I280-I284 PolarHBondContact O-N 3.34Å
281	N	81.4	Confident	85.7	Confident	55 Å²	55	40.3 Å²	40.3	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-30.7	177.6	-71.9	-19.2	0	0	0	111.6	D278 V279 A283 I284 T285 R302	D278-N281 VanDerWaalsContact O-CB 3.28Å; D278-N281 WeakPolarHBondContact O-CB 3.34Å; D278-N281 PolarHBondContact O-N 3.22Å; V279-N281 PolarHBondContact O-N 2.98Å; V279-N281 VanDerWaalsContact O-N 3.15Å; N281-A283 VanDerWaalsContact C-N 3.25Å; N281-A283 PolarHBondContact O-N 3.18Å; N281-I284 WeakPolarHBondContact O-CB 3.14Å; N281-I284 PolarHBondContact O-N 3.37Å; N281-I284 VanDerWaalsContact O-N 3.09Å; N281-T285 PolarHBondContact O-N 2.87Å; N281-T285 PolarHBondContact O-OG1 2.85Å; N281-R302 PolarHBondContact ND2-NH2 3.25Å
282	L	83.1	Confident	85.6	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-34.1	176.4	-56.5	174.2	0	0	0	112.2	L126 I245 V279 I280 R286 S287 Y288 L291	L126-L282 HydrophobicContact CD1-CD1 4.36Å; I245-L282 HydrophobicContact CD1-CD2 3.88Å; I245-L282 HydrophobicContact CG2-CD1 3.76Å; V279-L282 HydrophobicContact CG1-CD1 3.99Å; V279-L282 VanDerWaalsContact O-CB 3.31Å; V279-L282 WeakPolarHBondContact O-CB 3.24Å; V279-L282 WeakPolarHBondContact O-CG 3.34Å; V279-L282 PolarHBondContact O-N 3.31Å; I280-L282 PolarHBondContact O-N 3.28Å; L282-R286 CarbonylContact O-C 3.56Å; L282-R286 WeakPolarHBondContact O-CA 3.26Å; L282-R286 PolarHBondContact O-N 2.97Å; L282-S287 WeakPolarHBondContact CD2-OG 3.23Å; L282-S287 PolarHBondContact O-N 2.99Å; L282-Y288 PolarHBondContact O-N 3.49Å; L282-L291 HydrophobicContact CD1-CD2 3.86Å
283	A	78.6	Confident	85.5	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-73.6	-38.7	173.4	0	0	0	0	0	111.7	Y93 I96 F122 I280 N281 R286	Y93-A283 WeakPolarHBondContact CE1-O 3.3Å; I96-A283 HydrophobicContact CD1-CB 3.5Å; F122-A283 HydrophobicContact CE1-CB 3.93Å; F122-A283 HydrophobicContact CE2-CB 4.46Å; F122-A283 HydrophobicContact CZ-CB 3.64Å; I280-A283 WeakPolarHBondContact O-CB 3.36Å; I280-A283 PolarHBondContact O-N 2.9Å; I280-A283 VanDerWaalsContact O-N 3.09Å; N281-A283 VanDerWaalsContact C-N 3.25Å; N281-A283 PolarHBondContact O-N 3.18Å; A283-R286 PolarHBondContact O-N 2.96Å
284	I	77.7	Confident	85.5	Confident	94 Å²	94	47 Å²	47	48%	0.482	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-49.2	177.3	-62.5	175.7	0	0	0	110.9	I96 I280 N281 R286	I96-I284 HydrophobicContact CB-CG1 4.46Å; I96-I284 HydrophobicContact CD1-CG1 3.73Å; I96-I284 HydrophobicContact CG1-CG1 3.99Å; I96-I284 HydrophobicContact CG2-CD1 4.06Å; I96-I284 HydrophobicContact CG2-CG1 3.62Å; I280-I284 HydrophobicContact CG2-CD1 4.4Å; I280-I284 PolarHBondContact O-N 3.34Å; N281-I284 WeakPolarHBondContact O-CB 3.14Å; N281-I284 PolarHBondContact O-N 3.37Å; N281-I284 VanDerWaalsContact O-N 3.09Å; I284-R286 PolarHBondContact O-N 2.88Å
285	T	79.6	Confident	85.4	Confident	91 Å²	91	46.8 Å²	46.8	56%	0.558	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.1	-177.8	55.1	0	0	0	0	113	N281 S287	N281-T285 PolarHBondContact O-N 2.87Å; N281-T285 PolarHBondContact O-OG1 2.85Å; T285-S287 PolarHBondContact O-N 3.42Å; T285-S287 WeakPolarHBondContact OG1-CB 3.37Å; T285-S287 PolarHBondContact OG1-OG 3.37Å
286	R	78.1	Confident	85.4	Confident	181 Å²	181	49.5 Å²	49.5	68%	0.683	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	28.7	-171.8	-53.2	-177.7	178.1	179.6	-0.2	112.9	L282 A283 I284 Y288	L282-R286 CarbonylContact O-C 3.56Å; L282-R286 WeakPolarHBondContact O-CA 3.26Å; L282-R286 PolarHBondContact O-N 2.97Å; A283-R286 PolarHBondContact O-N 2.96Å; I284-R286 PolarHBondContact O-N 2.88Å; R286-Y288 HydrophobicContact CB-CE1 4.41Å
287	S	79.6	Confident	85.4	Confident	42 Å²	42	50.9 Å²	50.9	29%	0.294	25%	0.25	S	S	.	.			trans	-96.3	13.5	-178.4	70.1	0	0	0	0	113.1	L282 T285 N289 N290	L282-S287 WeakPolarHBondContact CD2-OG 3.23Å; L282-S287 PolarHBondContact O-N 2.99Å; T285-S287 PolarHBondContact O-N 3.42Å; T285-S287 WeakPolarHBondContact OG1-CB 3.37Å; T285-S287 PolarHBondContact OG1-OG 3.37Å; S287-N289 PolarHBondContact O-N 3.23Å; S287-N289 VanDerWaalsContact O-N 3.15Å; S287-N290 PolarHBondContact O-N 3.09Å
288	Y	78.2	Confident	85.5	Confident	7 Å²	7	50 Å²	50	3%	0.027	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.4	178	53.9	-98.1	0	0	0	114	M137 F140 E141 L282 R286 N290 L291	M137-Y288 WeakPolarHBondContact CE-O 3.38Å; M137-Y288 HydrophobicContact SD-CD2 3.93Å; F140-Y288 HydrophobicContact CD1-CD2 4.41Å; F140-Y288 AromaticContact CD1-CE2 3.88Å; F140-Y288 HydrophobicContact CD1-CE2 3.88Å; F140-Y288 HydrophobicContact CE1-CE1 4.37Å; F140-Y288 HydrophobicContact CE1-CE2 4.13Å; E141-Y288 PolarHBondContact OE1-OH 2.9Å; E141-Y288 VanDerWaalsContact OE1-OH 3.08Å; L282-Y288 PolarHBondContact O-N 3.49Å; R286-Y288 HydrophobicContact CB-CE1 4.41Å; Y288-N290 VanDerWaalsContact C-N 3.29Å; Y288-L291 WeakPolarHBondContact O-CD2 3.36Å; Y288-L291 WeakPolarHBondContact O-CG 3.41Å
289	N	78.8	Confident	85.5	Confident	65 Å²	65	49.8 Å²	49.8	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.8	173.5	-62.9	-19.9	0	0	0	113.3	S287	S287-N289 PolarHBondContact O-N 3.23Å; S287-N289 VanDerWaalsContact O-N 3.15Å
290	N	84.7	Confident	85.4	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	28%	0.276	S	S	.	.			trans	-123.3	73.8	-177.2	-168.7	11.6	0	0	0	111.1	S287 Y288 V293	S287-N290 PolarHBondContact O-N 3.09Å; Y288-N290 VanDerWaalsContact C-N 3.29Å; N290-V293 HydrophobicContact CB-CG2 4.45Å; N290-V293 VanDerWaalsContact CG-CG2 3.47Å; N290-V293 WeakPolarHBondContact ND2-CG2 3.41Å
291	L	90.1	Very high	85.2	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.3	-179	-51.2	-176.6	0	0	0	113.3	L126 Y130 M137 I245 I246 L249 L282 Y288 V293	L126-L291 HydrophobicContact CB-CD1 4.22Å; Y130-L291 HydrophobicContact CD1-CB 4.24Å; Y130-L291 HydrophobicContact CD1-CD1 4.25Å; Y130-L291 HydrophobicContact CD2-CB 4.22Å; Y130-L291 HydrophobicContact CD2-CD1 3.68Å; Y130-L291 HydrophobicContact CD2-CG 3.85Å; Y130-L291 HydrophobicContact CE1-CB 3.85Å; Y130-L291 HydrophobicContact CE2-CB 3.85Å; Y130-L291 HydrophobicContact CE2-CD1 4.13Å; Y130-L291 HydrophobicContact CE2-CG 3.76Å; Y130-L291 HydrophobicContact CG-CB 4.4Å; Y130-L291 HydrophobicContact CG-CD1 3.73Å; Y130-L291 HydrophobicContact CG-CG 4.26Å; Y130-L291 PolarHBondContact OH-N 2.98Å; Y130-L291 VanDerWaalsContact OH-N 3.16Å; M137-L291 HydrophobicContact CE-CD1 3.97Å; I245-L291 HydrophobicContact CB-CB 4.47Å; I245-L291 WeakPolarHBondContact CB-O 3.07Å; I245-L291 HydrophobicContact CG2-CB 4.33Å; I245-L291 HydrophobicContact CG2-CD2 3.91Å; I245-L291 PolarHBondContact N-O 2.96Å; I246-L291 HydrophobicContact CB-CB 3.89Å; I246-L291 HydrophobicContact CD1-CD1 4.2Å; I246-L291 PolarHBondContact N-O 2.9Å; L249-L291 HydrophobicContact CD1-CD1 4.23Å; L282-L291 HydrophobicContact CD1-CD2 3.86Å; Y288-L291 WeakPolarHBondContact O-CD2 3.36Å; Y288-L291 WeakPolarHBondContact O-CG 3.41Å; L291-V293 VanDerWaalsContact C-N 3.29Å
292	N	90.9	Very high	85.3	Confident	74 Å²	74	58.7 Å²	58.7	40%	0.396	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.3	175.5	-68.2	-28	0	0	0	113.2	Y130 T244	Y130-N292 VanDerWaalsContact OH-CG 3.23Å; Y130-N292 PolarHBondContact OH-N 3.2Å; Y130-N292 PolarHBondContact OH-ND2 3.11Å; Y130-N292 VanDerWaalsContact OH-ND2 3.12Å; Y130-N292 PolarHBondContact OH-OD1 3.39Å; T244-N292 VanDerWaalsContact CG2-O 3.31Å; T244-N292 WeakPolarHBondContact CG2-O 3.44Å
293	V	91.7	Very high	85.4	Confident	47 Å²	47	60.2 Å²	60.2	29%	0.285	29%	0.293	S	S	.	.	S	Bend	trans	-68.4	145.3	173.4	-176.6	0	0	0	0	110	T244 I245 N290 L291 D297	T244-V293 CarbonylContact C-O 3.46Å; T244-V293 WeakPolarHBondContact CA-O 3.38Å; I245-V293 HydrophobicContact CD1-CB 4.35Å; I245-V293 PolarHBondContact N-O 3.06Å; N290-V293 HydrophobicContact CB-CG2 4.45Å; N290-V293 VanDerWaalsContact CG-CG2 3.47Å; N290-V293 WeakPolarHBondContact ND2-CG2 3.41Å; L291-V293 VanDerWaalsContact C-N 3.29Å; V293-D297 HydrophobicContact CG1-CB 3.94Å
294	R	94.2	Very high	85.6	Confident	100 Å²	100	67.6 Å²	67.6	38%	0.377	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-63.6	138.6	174.8	-62.4	-178.6	-66.5	175.5	5.2	110.3	T243 Y296 D297 A298	T243-R294 WeakPolarHBondContact O-CA 3.41Å; R294-Y296 PolarHBondContact O-N 3.23Å; R294-D297 HydrophobicContact CB-CB 4.42Å; R294-D297 IonicContact CZ-OD1 3.55Å; R294-D297 IonicContact CZ-OD2 3.67Å; R294-D297 VanDerWaalsContact CZ-OD2 3.27Å; R294-D297 IonicContact NE-OD1 2.82Å; R294-D297 IonicContact NE-OD2 3.72Å; R294-D297 PolarHBondContact NE-OD2 3.37Å; R294-D297 IonicContact NH2-OD1 2.9Å; R294-D297 PolarHBondContact NH2-OD1 3.44Å; R294-D297 IonicContact NH2-OD2 3.02Å; R294-D297 PolarHBondContact NH2-OD2 3.09Å; R294-D297 PolarHBondContact O-N 3.47Å; R294-D297 VanDerWaalsContact O-N 3.09Å; R294-A298 PolarHBondContact O-N 3.27Å
295	V	94	Very high	85.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-37.8	174.2	176.5	0	0	0	0	110.3	I239 T243 I245 A248 I262 Y274 D297 A298 L299	I239-V295 HydrophobicContact CD1-CB 4.25Å; I239-V295 HydrophobicContact CD1-CG1 4.12Å; I239-V295 HydrophobicContact CD1-CG2 4.19Å; T243-V295 PolarHBondContact O-N 2.96Å; I245-V295 HydrophobicContact CG1-CG2 4.1Å; A248-V295 HydrophobicContact CB-CG2 3.73Å; I262-V295 HydrophobicContact CD1-CB 4.47Å; I262-V295 HydrophobicContact CD1-CG1 3.65Å; Y274-V295 HydrophobicContact CD1-CG1 3.85Å; Y274-V295 HydrophobicContact CD1-CG2 4.21Å; Y274-V295 HydrophobicContact CD2-CG1 3.53Å; Y274-V295 HydrophobicContact CE1-CG1 4.29Å; Y274-V295 HydrophobicContact CE1-CG2 4.18Å; Y274-V295 HydrophobicContact CE2-CG1 4.01Å; Y274-V295 HydrophobicContact CG-CG1 3.43Å; Y274-V295 VanDerWaalsContact CG-CG1 3.43Å; V295-D297 PolarHBondContact O-N 3.1Å; V295-A298 PolarHBondContact O-N 3.15Å; V295-L299 HydrophobicContact CG1-CD1 3.89Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 WeakPolarHBondContact O-CG 3.28Å; V295-L299 PolarHBondContact O-N 2.84Å; V295-L299 VanDerWaalsContact O-N 3.12Å
296	Y	92.5	Very high	86	Confident	70 Å²	70	64.1 Å²	64.1	28%	0.275	30%	0.298	S	S	.	.	H	α-helix	trans	-55.2	-52.3	174.8	-169.9	-94.5	0	0	0	111.1	N241 I271 R294 A298 L299 R303	N241-Y296 HydrophobicContact CB-CD2 4.27Å; N241-Y296 HydrophobicContact CB-CG 4.35Å; N241-Y296 WeakPolarHBondContact O-CB 3.49Å; N241-Y296 VanDerWaalsContact OD1-CD2 3.27Å; N241-Y296 WeakPolarHBondContact OD1-CD2 3.37Å; I271-Y296 HydrophobicContact CG2-CE2 3.86Å; R294-Y296 PolarHBondContact O-N 3.23Å; Y296-A298 VanDerWaalsContact C-N 3.35Å; Y296-A298 PolarHBondContact O-N 2.74Å; Y296-L299 PolarHBondContact O-N 3.13Å; Y296-R303 VanDerWaalsContact CE1-NH2 3.31Å; Y296-R303 PolarHBondContact O-NH1 3.14Å; Y296-R303 PolarHBondContact O-NH2 3.5Å
297	D	91.4	Very high	86	Confident	54 Å²	54	63.3 Å²	63.3	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-39.9	180	-58.1	-26.1	0	0	0	111.5	V293 R294 V295 L299 E300	V293-D297 HydrophobicContact CG1-CB 3.94Å; R294-D297 HydrophobicContact CB-CB 4.42Å; R294-D297 IonicContact CZ-OD1 3.55Å; R294-D297 IonicContact CZ-OD2 3.67Å; R294-D297 VanDerWaalsContact CZ-OD2 3.27Å; R294-D297 IonicContact NE-OD1 2.82Å; R294-D297 IonicContact NE-OD2 3.72Å; R294-D297 PolarHBondContact NE-OD2 3.37Å; R294-D297 IonicContact NH2-OD1 2.9Å; R294-D297 PolarHBondContact NH2-OD1 3.44Å; R294-D297 IonicContact NH2-OD2 3.02Å; R294-D297 PolarHBondContact NH2-OD2 3.09Å; R294-D297 PolarHBondContact O-N 3.47Å; R294-D297 VanDerWaalsContact O-N 3.09Å; V295-D297 PolarHBondContact O-N 3.1Å; D297-L299 PolarHBondContact O-N 3.23Å; D297-L299 VanDerWaalsContact O-N 3.14Å; D297-E300 WeakPolarHBondContact O-CB 3.49Å; D297-E300 PolarHBondContact O-N 2.85Å
298	A	88.9	Confident	85.6	Confident	49 Å²	49	69.5 Å²	69.5	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-22.8	178.4	0	0	0	0	0	114.2	I245 R294 V295 Y296	I245-A298 HydrophobicContact CD1-CB 3.84Å; I245-A298 HydrophobicContact CG1-CB 4.35Å; R294-A298 PolarHBondContact O-N 3.27Å; V295-A298 PolarHBondContact O-N 3.15Å; Y296-A298 VanDerWaalsContact C-N 3.35Å; Y296-A298 PolarHBondContact O-N 2.74Å
299	L	90	Very high	85.5	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.7	177.3	-64.9	175	0	0	0	113.5	I262 E272 Y274 V295 Y296 D297 Y301 R302 R303	I262-L299 HydrophobicContact CD1-CD1 3.64Å; E272-L299 HydrophobicContact CG-CD1 3.94Å; Y274-L299 HydrophobicContact CD2-CD1 4.09Å; Y274-L299 HydrophobicContact CD2-CD2 4.16Å; Y274-L299 HydrophobicContact CD2-CG 4.38Å; Y274-L299 HydrophobicContact CE2-CD2 4.46Å; V295-L299 HydrophobicContact CG1-CD1 3.89Å; V295-L299 HydrophobicContact CG1-CG 4.36Å; V295-L299 WeakPolarHBondContact O-CG 3.28Å; V295-L299 PolarHBondContact O-N 2.84Å; V295-L299 VanDerWaalsContact O-N 3.12Å; Y296-L299 PolarHBondContact O-N 3.13Å; D297-L299 PolarHBondContact O-N 3.23Å; D297-L299 VanDerWaalsContact O-N 3.14Å; L299-Y301 VanDerWaalsContact C-N 3.35Å; L299-Y301 PolarHBondContact O-N 3.25Å; L299-R302 WeakPolarHBondContact O-CB 3.35Å; L299-R302 PolarHBondContact O-N 3.33Å; L299-R303 PolarHBondContact O-N 2.99Å; L299-R303 VanDerWaalsContact O-N 3.17Å
300	E	87.1	Confident	85.4	Confident	97 Å²	97	76.6 Å²	76.6	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-54.5	-46.1	-177.2	-179.5	174.1	-138.6	0	0	112.9	D297 R302 R303 F304	D297-E300 WeakPolarHBondContact O-CB 3.49Å; D297-E300 PolarHBondContact O-N 2.85Å; E300-R302 PolarHBondContact O-N 2.89Å; E300-R303 PolarHBondContact O-N 3.16Å; E300-F304 HydrophobicContact CG-CD2 3.48Å; E300-F304 VanDerWaalsContact CG-CD2 3.48Å; E300-F304 HydrophobicContact CG-CE2 3.23Å; E300-F304 HydrophobicContact CG-CZ 4.38Å; E300-F304 WeakPolarHBondContact O-CD2 3.47Å; E300-F304 PolarHBondContact O-N 3.37Å; E300-F304 WeakPolarHBondContact OE1-CE2 3.42Å
301	Y	79.6	Confident	85.3	Confident	131 Å²	131	75.1 Å²	75.1	51%	0.514	36%	0.355	S	S	.	.	H	α-helix	trans	-55.7	-37.7	177	178.2	-100.2	0	0	0	112.8	L299 N305 Y309	L299-Y301 VanDerWaalsContact C-N 3.35Å; L299-Y301 PolarHBondContact O-N 3.25Å; Y301-N305 WeakPolarHBondContact CE2-ND2 3.44Å; Y301-N305 WeakPolarHBondContact O-CB 3.36Å; Y301-N305 PolarHBondContact O-N 3.22Å; Y301-N305 PolarHBondContact O-ND2 2.98Å; Y301-Y309 HydrophobicContact CD1-CE2 4.07Å; Y301-Y309 AromaticContact CE1-CE2 3.69Å; Y301-Y309 HydrophobicContact CE1-CE2 3.69Å
302	R	82.7	Confident	85.1	Confident	28 Å²	28	76.2 Å²	76.2	11%	0.106	36%	0.362	C	S	.	.	H	α-helix	trans	-69.7	-42.9	177.4	-66	-174.3	176.6	-179.2	-3	111.5	D278 N281 L299 E300 F304 N305 Y309	D278-R302 VanDerWaalsContact CG-CZ 3.48Å; D278-R302 VanDerWaalsContact CG-NH2 3.26Å; D278-R302 IonicContact OD1-CZ 3.22Å; D278-R302 IonicContact OD1-NH1 3.12Å; D278-R302 PolarHBondContact OD1-NH1 3.02Å; D278-R302 IonicContact OD1-NH2 2.78Å; D278-R302 PolarHBondContact OD1-NH2 2.82Å; D278-R302 IonicContact OD2-CZ 2.73Å; D278-R302 IonicContact OD2-NH1 3.93Å; D278-R302 PolarHBondContact OD2-NH1 3.34Å; N281-R302 PolarHBondContact ND2-NH2 3.25Å; L299-R302 WeakPolarHBondContact O-CB 3.35Å; L299-R302 PolarHBondContact O-N 3.33Å; E300-R302 PolarHBondContact O-N 2.89Å; R302-F304 VanDerWaalsContact C-N 3.31Å; R302-F304 PolarHBondContact O-N 2.8Å; R302-N305 CarbonylContact O-C 3.47Å; R302-N305 PolarHBondContact O-N 3.22Å; R302-N305 VanDerWaalsContact O-N 3.15Å; R302-Y309 HydrophobicContact CB-CD1 4.43Å; R302-Y309 HydrophobicContact CB-CD2 4.16Å; R302-Y309 HydrophobicContact CB-CG 3.91Å; R302-Y309 HydrophobicContact CG-CD1 3.85Å; R302-Y309 HydrophobicContact CG-CD2 4.05Å; R302-Y309 HydrophobicContact CG-CE1 4.17Å; R302-Y309 HydrophobicContact CG-CE2 4.35Å; R302-Y309 HydrophobicContact CG-CG 3.78Å
303	R	84.4	Confident	85.2	Confident	43 Å²	43	74.9 Å²	74.9	16%	0.162	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-37.1	178.3	-69.9	-164.9	-60.7	-75	-2.2	112.1	Y296 L299 E300 N305 R306	Y296-R303 VanDerWaalsContact CE1-NH2 3.31Å; Y296-R303 PolarHBondContact O-NH1 3.14Å; Y296-R303 PolarHBondContact O-NH2 3.5Å; L299-R303 PolarHBondContact O-N 2.99Å; L299-R303 VanDerWaalsContact O-N 3.17Å; E300-R303 PolarHBondContact O-N 3.16Å; R303-N305 VanDerWaalsContact C-N 3.31Å; R303-R306 WeakPolarHBondContact O-CG 3.08Å
304	F	83.3	Confident	85.5	Confident	157 Å²	157	74.3 Å²	74.3	69%	0.689	35%	0.351	S	S	*	.	H	α-helix	trans	-74.7	-19.5	175.2	-75.7	-59.8	0	0	0	114.1	E300 R302	E300-F304 HydrophobicContact CG-CD2 3.48Å; E300-F304 VanDerWaalsContact CG-CD2 3.48Å; E300-F304 HydrophobicContact CG-CE2 3.23Å; E300-F304 HydrophobicContact CG-CZ 4.38Å; E300-F304 WeakPolarHBondContact O-CD2 3.47Å; E300-F304 PolarHBondContact O-N 3.37Å; E300-F304 WeakPolarHBondContact OE1-CE2 3.42Å; R302-F304 VanDerWaalsContact C-N 3.31Å; R302-F304 PolarHBondContact O-N 2.8Å
305	N	82.5	Confident	85.6	Confident	29 Å²	29	69.7 Å²	69.7	16%	0.155	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	52.3	-179.4	-70.5	-95.5	0	0	0	111.1	Y301 R302 R303 D307 R308 Y309	Y301-N305 WeakPolarHBondContact CE2-ND2 3.44Å; Y301-N305 WeakPolarHBondContact O-CB 3.36Å; Y301-N305 PolarHBondContact O-N 3.22Å; Y301-N305 PolarHBondContact O-ND2 2.98Å; R302-N305 CarbonylContact O-C 3.47Å; R302-N305 PolarHBondContact O-N 3.22Å; R302-N305 VanDerWaalsContact O-N 3.15Å; R303-N305 VanDerWaalsContact C-N 3.31Å; N305-D307 PolarHBondContact O-N 3.05Å; N305-D307 VanDerWaalsContact O-N 3.15Å; N305-R308 HydrophobicContact CB-CB 4.48Å; N305-R308 PolarHBondContact O-N 3.26Å; N305-R308 PolarHBondContact OD1-NH2 2.94Å; N305-Y309 HydrophobicContact CB-CD2 3.96Å; N305-Y309 HydrophobicContact CB-CE2 4.34Å; N305-Y309 PolarHBondContact O-N 2.74Å
306	R	83.2	Confident	85.8	Confident	83 Å²	83	72.8 Å²	72.8	31%	0.313	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.1	-178.8	-75.1	-53.4	-169.8	-174.7	-0.2	114.2	E272 R303 R308 Y309	E272-R306 IonicContact OE2-CZ 3.27Å; E272-R306 VanDerWaalsContact OE2-CZ 3.22Å; E272-R306 IonicContact OE2-NH1 2.75Å; E272-R306 PolarHBondContact OE2-NH1 3.36Å; E272-R306 IonicContact OE2-NH2 2.92Å; E272-R306 PolarHBondContact OE2-NH2 3.16Å; R303-R306 WeakPolarHBondContact O-CG 3.08Å; R306-R308 PolarHBondContact O-N 3.39Å; R306-Y309 WeakPolarHBondContact CA-O 3.39Å; R306-Y309 VanDerWaalsContact CD-O 3.24Å; R306-Y309 WeakPolarHBondContact CD-O 3.44Å; R306-Y309 CarbonylContact O-C 3.57Å
307	D	77.7	Confident	86	Confident	163 Å²	163	72.9 Å²	72.9	87%	0.872	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-29.1	173.8	-47.8	-36.8	0	0	0	112.1	N305	N305-D307 PolarHBondContact O-N 3.05Å; N305-D307 VanDerWaalsContact O-N 3.15Å
308	R	72.2	Confident	86.3	Confident	173 Å²	173	74.9 Å²	74.9	65%	0.653	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-29.9	178.9	-70.3	-171.6	-90.6	-160.5	-3.9	113.1	N305 R306	N305-R308 HydrophobicContact CB-CB 4.48Å; N305-R308 PolarHBondContact O-N 3.26Å; N305-R308 PolarHBondContact OD1-NH2 2.94Å; R306-R308 PolarHBondContact O-N 3.39Å
309	Y	75.9	Confident	86.7	Confident	88 Å²	88	74.7 Å²	74.7	35%	0.345	36%	0.359	S	S	.	.	S	Bend	trans	-122.9	90.9	-179.1	-59.3	-83	0	0	0	109.9	Y301 R302 N305 R306	Y301-Y309 HydrophobicContact CD1-CE2 4.07Å; Y301-Y309 AromaticContact CE1-CE2 3.69Å; Y301-Y309 HydrophobicContact CE1-CE2 3.69Å; R302-Y309 HydrophobicContact CB-CD1 4.43Å; R302-Y309 HydrophobicContact CB-CD2 4.16Å; R302-Y309 HydrophobicContact CB-CG 3.91Å; R302-Y309 HydrophobicContact CG-CD1 3.85Å; R302-Y309 HydrophobicContact CG-CD2 4.05Å; R302-Y309 HydrophobicContact CG-CE1 4.17Å; R302-Y309 HydrophobicContact CG-CE2 4.35Å; R302-Y309 HydrophobicContact CG-CG 3.78Å; N305-Y309 HydrophobicContact CB-CD2 3.96Å; N305-Y309 HydrophobicContact CB-CE2 4.34Å; N305-Y309 PolarHBondContact O-N 2.74Å; R306-Y309 WeakPolarHBondContact CA-O 3.39Å; R306-Y309 VanDerWaalsContact CD-O 3.24Å; R306-Y309 WeakPolarHBondContact CD-O 3.44Å; R306-Y309 CarbonylContact O-C 3.57Å
310	L	75.6	Confident	87.1	Confident	132 Å²	132	75.3 Å²	75.3	69%	0.691	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-52.5	149.9	176.9	-64.9	172.5	0	0	0	111.4
311	A	82.6	Confident	87.5	Confident	55 Å²	55	70.7 Å²	70.7	46%	0.455	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-54.6	156.2	169	0	0	0	0	0	111.1	L313	A311-L313 PolarHBondContact O-N 2.99Å
312	P	86.6	Confident	88.2	Confident	22 Å²	22	67.4 Å²	67.4	14%	0.143	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-50.1	127.3	175.1	-23.9	30.7	0	0	0	110.5	L270 E272 I273 T314	L270-P312 HydrophobicContact CD2-CB 4.21Å; E272-P312 WeakPolarHBondContact OE1-CG 3.36Å; I273-P312 HydrophobicContact CB-CB 4.37Å; I273-P312 HydrophobicContact CB-CG 4.37Å; I273-P312 HydrophobicContact CG2-CB 4.23Å; I273-P312 HydrophobicContact CG2-CG 4.23Å; P312-T314 PolarHBondContact O-N 3.34Å
313	L	93.6	Very high	88.8	Confident	47 Å²	47	70.7 Å²	70.7	25%	0.246	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-76.4	124.6	176	-62.6	-178.3	0	0	0	109.6	A311 S331 V333 L336 I337	A311-L313 PolarHBondContact O-N 2.99Å; L313-S331 VanDerWaalsContact CD1-OG 3.23Å; L313-S331 WeakPolarHBondContact CD1-OG 3.22Å; L313-V333 HydrophobicContact CD1-CG1 3.78Å; L313-V333 HydrophobicContact CD1-CG2 4.18Å; L313-L336 HydrophobicContact CB-CD2 3.46Å; L313-L336 VanDerWaalsContact CB-CD2 3.46Å; L313-L336 HydrophobicContact CD1-CD2 4.48Å; L313-L336 WeakPolarHBondContact O-CA 3.5Å; L313-I337 PolarHBondContact O-N 3.03Å; L313-I337 VanDerWaalsContact O-N 3.14Å
314	T	96.9	Very high	89.4	Confident	34 Å²	34	68.7 Å²	68.7	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	168.7	-177.4	58.8	0	0	0	0	111.7	L270 P312 K327 I337 I339	L270-T314 HydrophobicContact CD2-CG2 3.58Å; P312-T314 PolarHBondContact O-N 3.34Å; T314-K327 VanDerWaalsContact O-CE 3.23Å; T314-K327 WeakPolarHBondContact O-CE 3.2Å; T314-K327 PolarHBondContact O-NZ 3.37Å; T314-I337 CarbonylContact C-O 3.54Å; T314-I337 WeakPolarHBondContact CA-O 3.47Å; T314-I337 WeakPolarHBondContact CB-O 3.28Å; T314-I337 HydrophobicContact CG2-CB 4.4Å; T314-I339 HydrophobicContact CG2-CD1 4.01Å; T314-I339 HydrophobicContact CG2-CG1 4.41Å; T314-I339 HydrophobicContact CG2-CG2 3.91Å
315	C	97.5	Very high	90	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163	167.5	52.6	0	0	0	0	108.7	D319 V324 L336 I337 I338 I339	C315-D319 VanDerWaalsContact CA-OD2 3.27Å; C315-D319 WeakPolarHBondContact CA-OD2 3.33Å; C315-D319 WeakPolarHBondContact CB-OD2 3.41Å; C315-V324 HydrophobicContact CB-CG2 4.12Å; C315-L336 HydrophobicContact CB-CB 4.46Å; C315-L336 HydrophobicContact CB-CD1 3.89Å; C315-I337 PolarHBondContact N-O 3.49Å; C315-I338 VanDerWaalsContact O-CA 3.28Å; C315-I338 WeakPolarHBondContact O-CA 3.48Å; C315-I339 PolarHBondContact O-N 3.38Å
316	L	97.9	Very high	90.6	Very high	65 Å²	65	61.7 Å²	61.7	34%	0.34	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	154.3	170.1	-60.1	176	0	0	0	109.6	T318 D319 I339	L316-T318 WeakPolarHBondContact CB-OG1 3.4Å; L316-T318 PolarHBondContact O-N 2.99Å; L316-T318 VanDerWaalsContact O-N 3.16Å; L316-D319 PolarHBondContact N-OD2 3.35Å; L316-D319 WeakPolarHBondContact O-CB 3.45Å; L316-D319 PolarHBondContact O-N 2.96Å; L316-I339 HydrophobicContact CD2-CG1 4.21Å; L316-I339 WeakPolarHBondContact CD2-O 3.47Å
317	K	97.1	Very high	91.2	Very high	72 Å²	72	61.5 Å²	61.5	31%	0.313	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20	172.2	65.8	179.7	163.7	-137.9	0	113.1	L224 H225 Y232 I338 E346	L224-K317 PolarHBondContact N-O 3.27Å; H225-K317 HydrophobicContact CB-CB 4.24Å; H225-K317 HydrophobicContact CB-CG 4.46Å; H225-K317 WeakPolarHBondContact CB-O 3.39Å; H225-K317 PolarHBondContact N-O 3.49Å; Y232-K317 HydrophobicContact CE1-CB 4.28Å; K317-I338 HydrophobicContact CB-CG2 4.03Å; K317-E346 VanDerWaalsContact CD-OE2 3.31Å; K317-E346 WeakPolarHBondContact CD-OE2 3.23Å; K317-E346 WeakPolarHBondContact CE-OE2 3.46Å; K317-E346 VanDerWaalsContact NZ-CD 3.28Å; K317-E346 IonicContact NZ-OE1 2.69Å; K317-E346 PolarHBondContact NZ-OE1 3.23Å; K317-E346 IonicContact NZ-OE2 3.97Å; K317-E346 PolarHBondContact NZ-OE2 3.28Å
318	T	97.3	Very high	92	Very high	96 Å²	96	53.8 Å²	53.8	59%	0.589	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.6	176.6	51	0	0	0	0	113.1	S223 L316	S223-T318 WeakPolarHBondContact CB-O 3.05Å; L316-T318 WeakPolarHBondContact CB-OG1 3.4Å; L316-T318 PolarHBondContact O-N 2.99Å; L316-T318 VanDerWaalsContact O-N 3.16Å
319	D	97.5	Very high	93	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	25%	0.249	C	C	.	.	S	Bend	trans	-63.2	142.8	177.5	-67.9	-12.2	0	0	0	109.9	S223 L224 C315 L316 V324	S223-D319 CarbonylContact C-O 3.57Å; S223-D319 VanDerWaalsContact CA-O 3.27Å; S223-D319 WeakPolarHBondContact CA-O 3.39Å; L224-D319 PolarHBondContact N-O 2.98Å; C315-D319 VanDerWaalsContact CA-OD2 3.27Å; C315-D319 WeakPolarHBondContact CA-OD2 3.33Å; C315-D319 WeakPolarHBondContact CB-OD2 3.41Å; L316-D319 PolarHBondContact N-OD2 3.35Å; L316-D319 WeakPolarHBondContact O-CB 3.45Å; L316-D319 PolarHBondContact O-N 2.96Å; D319-V324 HydrophobicContact CB-CG2 3.96Å
320	S	97.1	Very high	93.8	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-70.2	152.9	178.5	77.4	0	0	0	0	111.4	K222 Q322 D323 V324	K222-S320 WeakPolarHBondContact O-CA 3.14Å; S320-Q322 PolarHBondContact O-N 3.11Å; S320-D323 PolarHBondContact O-N 3.35Å; S320-D323 PolarHBondContact OG-N 3.38Å; S320-D323 VanDerWaalsContact OG-N 3.13Å; S320-D323 PolarHBondContact OG-OD2 3.2Å; S320-V324 WeakPolarHBondContact O-CG2 3.33Å; S320-V324 PolarHBondContact O-N 2.95Å; S320-V324 VanDerWaalsContact O-N 3.08Å
321	L	95.6	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-37	173.3	178.8	58.2	0	0	0	111.6	F219 M220 K222 L224 L227 L229 V324 M325 I354 F357	F219-L321 HydrophobicContact CD2-CD2 4Å; F219-L321 HydrophobicContact CE2-CD2 4.12Å; M220-L321 HydrophobicContact CE-CD2 4.47Å; M220-L321 PolarHBondContact O-N 3.24Å; M220-L321 HydrophobicContact SD-CB 4.34Å; M220-L321 HydrophobicContact SD-CD2 3.83Å; M220-L321 HydrophobicContact SD-CG 3.84Å; K222-L321 PolarHBondContact O-N 3.45Å; L224-L321 HydrophobicContact CD2-CD1 4.45Å; L227-L321 HydrophobicContact CD1-CB 3.77Å; L227-L321 HydrophobicContact CD1-CD2 3.9Å; L227-L321 HydrophobicContact CD1-CG 4.41Å; L229-L321 HydrophobicContact CD1-CD1 3.72Å; L229-L321 HydrophobicContact CD1-CD2 3.99Å; L229-L321 HydrophobicContact CD1-CG 4.33Å; L321-V324 PolarHBondContact O-N 3.49Å; L321-M325 HydrophobicContact CD1-CG 4.07Å; L321-M325 HydrophobicContact CD1-SD 4.36Å; L321-M325 HydrophobicContact CG-CG 4.34Å; L321-M325 HydrophobicContact CG-SD 4.18Å; L321-M325 WeakPolarHBondContact O-CB 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.19Å; L321-M325 PolarHBondContact O-N 2.95Å; L321-I354 HydrophobicContact CD1-CG1 4.28Å; L321-I354 HydrophobicContact CD1-CG2 4.44Å; L321-F357 HydrophobicContact CD2-CD1 4Å; L321-F357 HydrophobicContact CD2-CE1 3.82Å
322	Q	94.5	Very high	94.9	Very high	63 Å²	63	43 Å²	43	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-58.1	-50.8	176.6	-175.5	67.6	36	0	0	111.6	M220 S320 V324 M325 V326	M220-Q322 HydrophobicContact CB-CB 4.29Å; M220-Q322 WeakPolarHBondContact O-CB 3.43Å; M220-Q322 PolarHBondContact O-N 3.16Å; S320-Q322 PolarHBondContact O-N 3.11Å; Q322-V324 VanDerWaalsContact C-N 3.33Å; Q322-V324 PolarHBondContact O-N 3.41Å; Q322-M325 PolarHBondContact O-N 3.41Å; Q322-V326 WeakPolarHBondContact O-CG2 3.42Å; Q322-V326 PolarHBondContact O-N 2.77Å
323	D	96.3	Very high	95.1	Very high	96 Å²	96	44.1 Å²	44.1	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-40.8	-178.2	-61.6	-39.4	0	0	0	111.2	S320 V326 K327	S320-D323 PolarHBondContact O-N 3.35Å; S320-D323 PolarHBondContact OG-N 3.38Å; S320-D323 VanDerWaalsContact OG-N 3.13Å; S320-D323 PolarHBondContact OG-OD2 3.2Å; D323-V326 PolarHBondContact O-N 3.38Å; D323-K327 VanDerWaalsContact O-CB 3.24Å; D323-K327 WeakPolarHBondContact O-CB 3.19Å; D323-K327 PolarHBondContact O-N 3Å
324	V	96.9	Very high	95	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176.3	169.4	0	0	0	0	111.4	L224 C315 D319 S320 L321 Q322 K327 I328 L336 I349 I354	L224-V324 HydrophobicContact CD1-CG2 3.93Å; L224-V324 HydrophobicContact CD2-CB 4.35Å; L224-V324 HydrophobicContact CD2-CG1 4.43Å; L224-V324 HydrophobicContact CD2-CG2 4.03Å; L224-V324 HydrophobicContact CG-CG2 4.09Å; C315-V324 HydrophobicContact CB-CG2 4.12Å; D319-V324 HydrophobicContact CB-CG2 3.96Å; S320-V324 WeakPolarHBondContact O-CG2 3.33Å; S320-V324 PolarHBondContact O-N 2.95Å; S320-V324 VanDerWaalsContact O-N 3.08Å; L321-V324 PolarHBondContact O-N 3.49Å; Q322-V324 VanDerWaalsContact C-N 3.33Å; Q322-V324 PolarHBondContact O-N 3.41Å; V324-K327 PolarHBondContact O-N 2.79Å; V324-I328 HydrophobicContact CG1-CD1 3.86Å; V324-I328 WeakPolarHBondContact O-CB 3.23Å; V324-I328 WeakPolarHBondContact O-CG1 3.37Å; V324-I328 PolarHBondContact O-N 3.27Å; V324-L336 HydrophobicContact CG1-CD1 3.99Å; V324-I349 HydrophobicContact CG1-CD1 4.12Å; V324-I349 HydrophobicContact CG1-CG2 4.03Å; V324-I354 HydrophobicContact CG1-CD1 4.35Å
325	M	94.7	Very high	94.9	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-47.2	176	-82.6	-173.5	52	0	0	112.1	L204 M220 L321 Q322 K327 I328 V329 I354 L358	L204-M325 HydrophobicContact CD1-CE 3.87Å; L204-M325 HydrophobicContact CD1-SD 4.47Å; M220-M325 HydrophobicContact CE-CE 4.01Å; M220-M325 HydrophobicContact CE-SD 3.46Å; M220-M325 WeakPolarHBondContact CE-SD 3.47Å; M220-M325 HydrophobicContact SD-SD 3.85Å; L321-M325 HydrophobicContact CD1-CG 4.07Å; L321-M325 HydrophobicContact CD1-SD 4.36Å; L321-M325 HydrophobicContact CG-CG 4.34Å; L321-M325 HydrophobicContact CG-SD 4.18Å; L321-M325 WeakPolarHBondContact O-CB 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.19Å; L321-M325 PolarHBondContact O-N 2.95Å; Q322-M325 PolarHBondContact O-N 3.41Å; M325-K327 PolarHBondContact O-N 3.12Å; M325-I328 PolarHBondContact O-N 3.47Å; M325-V329 WeakPolarHBondContact O-CB 3.36Å; M325-V329 VanDerWaalsContact O-CG2 3.26Å; M325-V329 WeakPolarHBondContact O-CG2 3.43Å; M325-V329 PolarHBondContact O-N 3.03Å; M325-I354 HydrophobicContact CG-CD1 4.29Å; M325-I354 HydrophobicContact CG-CG2 4.04Å; M325-I354 HydrophobicContact SD-CG2 4.03Å; M325-L358 HydrophobicContact CE-CD1 4.48Å; M325-L358 HydrophobicContact SD-CD1 4.31Å
326	V	95.2	Very high	94.9	Very high	34 Å²	34	44.1 Å²	44.1	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-55.9	-53	175.6	172.3	0	0	0	0	109.4	Y208 Q322 D323 I328 V329 E330	Y208-V326 HydrophobicContact CE2-CB 4.38Å; Y208-V326 HydrophobicContact CE2-CG2 3.79Å; Q322-V326 WeakPolarHBondContact O-CG2 3.42Å; Q322-V326 PolarHBondContact O-N 2.77Å; D323-V326 PolarHBondContact O-N 3.38Å; V326-I328 PolarHBondContact O-N 3.49Å; V326-V329 PolarHBondContact O-N 3.34Å; V326-E330 VanDerWaalsContact CG1-CD 3.49Å; V326-E330 HydrophobicContact CG1-CG 4.25Å; V326-E330 WeakPolarHBondContact CG1-OE1 3.26Å; V326-E330 WeakPolarHBondContact O-CB 3.4Å; V326-E330 WeakPolarHBondContact O-CG 3.31Å; V326-E330 PolarHBondContact O-N 2.89Å
327	K	95.9	Very high	94.9	Very high	79 Å²	79	41.1 Å²	41.1	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-44.7	-177.6	-171.3	169	-170.8	170	0	112.6	T314 D323 V324 M325 S331 L336	T314-K327 VanDerWaalsContact O-CE 3.23Å; T314-K327 WeakPolarHBondContact O-CE 3.2Å; T314-K327 PolarHBondContact O-NZ 3.37Å; D323-K327 VanDerWaalsContact O-CB 3.24Å; D323-K327 WeakPolarHBondContact O-CB 3.19Å; D323-K327 PolarHBondContact O-N 3Å; V324-K327 PolarHBondContact O-N 2.79Å; M325-K327 PolarHBondContact O-N 3.12Å; K327-S331 VanDerWaalsContact O-CB 3.26Å; K327-S331 WeakPolarHBondContact O-CB 3.37Å; K327-S331 PolarHBondContact O-N 2.88Å; K327-S331 PolarHBondContact O-OG 2.95Å; K327-L336 HydrophobicContact CB-CD1 4.31Å; K327-L336 HydrophobicContact CD-CD1 3.95Å; K327-L336 HydrophobicContact CD-CD2 4.47Å; K327-L336 HydrophobicContact CG-CD1 4.17Å; K327-L336 HydrophobicContact CG-CD2 4.33Å
328	I	95.1	Very high	95	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-44	178.6	-73.9	174.1	0	0	0	111.9	V324 M325 V326 S331 G332 V333 L336 L351 I354	V324-I328 HydrophobicContact CG1-CD1 3.86Å; V324-I328 WeakPolarHBondContact O-CB 3.23Å; V324-I328 WeakPolarHBondContact O-CG1 3.37Å; V324-I328 PolarHBondContact O-N 3.27Å; M325-I328 PolarHBondContact O-N 3.47Å; V326-I328 PolarHBondContact O-N 3.49Å; I328-S331 PolarHBondContact O-OG 3.15Å; I328-G332 PolarHBondContact O-N 3.14Å; I328-V333 HydrophobicContact CG1-CG2 4.38Å; I328-V333 PolarHBondContact O-N 2.62Å; I328-L336 HydrophobicContact CD1-CD1 4.18Å; I328-L336 HydrophobicContact CD1-CG 3.88Å; I328-L336 HydrophobicContact CG1-CD1 3.79Å; I328-L336 HydrophobicContact CG1-CD2 3.95Å; I328-L336 HydrophobicContact CG1-CG 3.49Å; I328-L336 VanDerWaalsContact CG1-CG 3.49Å; I328-L351 HydrophobicContact CG2-CD2 3.43Å; I328-L351 VanDerWaalsContact CG2-CD2 3.43Å; I328-L351 HydrophobicContact CG2-CG 4.16Å; I328-I354 HydrophobicContact CD1-CD1 3.68Å
329	V	93.5	Very high	95	Very high	21 Å²	21	34 Å²	34	13%	0.127	18%	0.181	C	C	.	.	H	α-helix	trans	-71	-45.6	-176	173.2	0	0	0	0	111.4	L204 K205 Y208 M325 V326 G332	L204-V329 HydrophobicContact CD2-CG2 4.11Å; L204-V329 HydrophobicContact CG-CG2 4.1Å; K205-V329 HydrophobicContact CB-CG1 4.29Å; K205-V329 HydrophobicContact CG-CG1 4.14Å; Y208-V329 HydrophobicContact CD1-CB 4.4Å; Y208-V329 HydrophobicContact CD1-CG1 3.61Å; Y208-V329 HydrophobicContact CE1-CG1 4.23Å; Y208-V329 HydrophobicContact CG-CB 4.22Å; Y208-V329 HydrophobicContact CG-CG1 3.82Å; Y208-V329 HydrophobicContact CG-CG2 4.32Å; M325-V329 WeakPolarHBondContact O-CB 3.36Å; M325-V329 VanDerWaalsContact O-CG2 3.26Å; M325-V329 WeakPolarHBondContact O-CG2 3.43Å; M325-V329 PolarHBondContact O-N 3.03Å; V326-V329 PolarHBondContact O-N 3.34Å; V329-G332 PolarHBondContact O-N 3.32Å
330	E	92.9	Very high	94.9	Very high	131 Å²	131	33.5 Å²	33.5	61%	0.612	18%	0.178	S	C	*	.	H	α-helix	trans	-68.4	-42.7	-177.7	-70.7	-178	175.5	0	0	112.3	Y208 V326 G332	Y208-E330 PolarHBondContact OH-OE1 3.34Å; V326-E330 VanDerWaalsContact CG1-CD 3.49Å; V326-E330 HydrophobicContact CG1-CG 4.25Å; V326-E330 WeakPolarHBondContact CG1-OE1 3.26Å; V326-E330 WeakPolarHBondContact O-CB 3.4Å; V326-E330 WeakPolarHBondContact O-CG 3.31Å; V326-E330 PolarHBondContact O-N 2.89Å; E330-G332 PolarHBondContact O-N 3.22Å
331	S	91.5	Very high	94.8	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	22%	0.215	S	C	.	.	H	α-helix	trans	-72.4	-18.2	174	64.8	0	0	0	0	113.6	L313 K327 I328 V333	L313-S331 VanDerWaalsContact CD1-OG 3.23Å; L313-S331 WeakPolarHBondContact CD1-OG 3.22Å; K327-S331 VanDerWaalsContact O-CB 3.26Å; K327-S331 WeakPolarHBondContact O-CB 3.37Å; K327-S331 PolarHBondContact O-N 2.88Å; K327-S331 PolarHBondContact O-OG 2.95Å; I328-S331 PolarHBondContact O-OG 3.15Å; S331-V333 PolarHBondContact O-N 2.86Å; S331-V333 VanDerWaalsContact OG-CG2 3.32Å; S331-V333 WeakPolarHBondContact OG-CG2 3.38Å
332	G	89.3	Confident	94.8	Very high	19 Å²	19	46.5 Å²	46.5	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	20.2	-178	0	0	0	0	0	114.4	K201 I328 V329 E330	K201-G332 WeakPolarHBondContact CE-O 3.48Å; K201-G332 PolarHBondContact NZ-O 3.12Å; I328-G332 PolarHBondContact O-N 3.14Å; V329-G332 PolarHBondContact O-N 3.32Å; E330-G332 PolarHBondContact O-N 3.22Å
333	V	91.4	Very high	94.9	Very high	45 Å²	45	46.1 Å²	46.1	27%	0.273	24%	0.24	S	C	.	.			trans	-77.7	170.8	173.5	-57.8	0	0	0	0	111.2	L313 I328 S331 R335 L336	L313-V333 HydrophobicContact CD1-CG1 3.78Å; L313-V333 HydrophobicContact CD1-CG2 4.18Å; I328-V333 HydrophobicContact CG1-CG2 4.38Å; I328-V333 PolarHBondContact O-N 2.62Å; S331-V333 PolarHBondContact O-N 2.86Å; S331-V333 VanDerWaalsContact OG-CG2 3.32Å; S331-V333 WeakPolarHBondContact OG-CG2 3.38Å; V333-R335 VanDerWaalsContact CG2-O 3.28Å; V333-R335 WeakPolarHBondContact CG2-O 3.38Å; V333-L336 HydrophobicContact CG2-CD2 3.96Å
334	H	92.1	Very high	94.9	Very high	57 Å²	57	45.3 Å²	45.3	26%	0.264	23%	0.232	S	C	.	.	S	Bend	trans	-99.6	-9.7	-177.5	-76.7	-137.9	0	0	0	113.6	R101 L351	R101-H334 PolarHBondContact NH1-NE2 3.07Å; H334-L351 HydrophobicContact CB-CD1 4.21Å; H334-L351 WeakPolarHBondContact O-CG 3.47Å; H334-L351 PolarHBondContact O-N 2.96Å
335	R	94.8	Very high	94.9	Very high	27 Å²	27	45.3 Å²	45.3	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	164.4	-175.4	67.3	-151.8	170.2	-133.9	-15.3	110.2	S258 C259 V333 I348 I349	S258-R335 VanDerWaalsContact CB-NH1 3.28Å; S258-R335 PolarHBondContact O-NH1 2.86Å; S258-R335 PolarHBondContact OG-NH1 2.69Å; C259-R335 VanDerWaalsContact CB-NH1 3.28Å; C259-R335 WeakPolarHBondContact SG-CD 3.39Å; C259-R335 PolarHBondContact SG-NE 3.22Å; V333-R335 VanDerWaalsContact CG2-O 3.28Å; V333-R335 WeakPolarHBondContact CG2-O 3.38Å; R335-I348 HydrophobicContact CB-CG2 4.14Å; R335-I348 HydrophobicContact CG-CG2 4.26Å; R335-I349 CarbonylContact C-O 3.53Å; R335-I349 WeakPolarHBondContact CA-O 3.48Å; R335-I349 WeakPolarHBondContact CB-O 3.29Å
336	L	96.9	Very high	95.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.4	167.6	-56.6	178.3	0	0	0	110	L313 C315 V324 K327 I328 V333 I349	L313-L336 HydrophobicContact CB-CD2 3.46Å; L313-L336 VanDerWaalsContact CB-CD2 3.46Å; L313-L336 HydrophobicContact CD1-CD2 4.48Å; L313-L336 WeakPolarHBondContact O-CA 3.5Å; C315-L336 HydrophobicContact CB-CB 4.46Å; C315-L336 HydrophobicContact CB-CD1 3.89Å; V324-L336 HydrophobicContact CG1-CD1 3.99Å; K327-L336 HydrophobicContact CB-CD1 4.31Å; K327-L336 HydrophobicContact CD-CD1 3.95Å; K327-L336 HydrophobicContact CD-CD2 4.47Å; K327-L336 HydrophobicContact CG-CD1 4.17Å; K327-L336 HydrophobicContact CG-CD2 4.33Å; I328-L336 HydrophobicContact CD1-CD1 4.18Å; I328-L336 HydrophobicContact CD1-CG 3.88Å; I328-L336 HydrophobicContact CG1-CD1 3.79Å; I328-L336 HydrophobicContact CG1-CD2 3.95Å; I328-L336 HydrophobicContact CG1-CG 3.49Å; I328-L336 VanDerWaalsContact CG1-CG 3.49Å; V333-L336 HydrophobicContact CG2-CD2 3.96Å; L336-I349 HydrophobicContact CB-CG2 4Å; L336-I349 PolarHBondContact N-O 3.31Å; L336-I349 PolarHBondContact O-N 3.35Å
337	I	97.6	Very high	95.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.1	169.9	-51.2	-52.3	0	0	0	108.4	P261 L270 I273 L313 T314 C315 I339 V345 I348	P261-I337 HydrophobicContact CG-CD1 3.84Å; L270-I337 HydrophobicContact CD1-CG2 4.46Å; L270-I337 HydrophobicContact CD2-CB 4.01Å; L270-I337 HydrophobicContact CD2-CG1 4.28Å; L270-I337 HydrophobicContact CD2-CG2 3.88Å; I273-I337 HydrophobicContact CD1-CD1 3.83Å; I273-I337 HydrophobicContact CD1-CG1 4.23Å; L313-I337 PolarHBondContact O-N 3.03Å; L313-I337 VanDerWaalsContact O-N 3.14Å; T314-I337 CarbonylContact C-O 3.54Å; T314-I337 WeakPolarHBondContact CA-O 3.47Å; T314-I337 WeakPolarHBondContact CB-O 3.28Å; T314-I337 HydrophobicContact CG2-CB 4.4Å; C315-I337 PolarHBondContact N-O 3.49Å; I337-I339 HydrophobicContact CG2-CG2 4.09Å; I337-V345 HydrophobicContact CG2-CB 4.43Å; I337-V345 HydrophobicContact CG2-CG1 3.92Å; I337-V345 HydrophobicContact CG2-CG2 3.97Å; I337-I348 HydrophobicContact CD1-CD1 4.09Å; I337-I348 HydrophobicContact CD1-CG1 3.93Å; I337-I348 HydrophobicContact CD1-CG2 4.43Å
338	I	98.1	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.1	174.4	-52.1	172.2	0	0	0	107.3	L224 Y232 C315 K317 E346 G347 I349	L224-I338 HydrophobicContact CD1-CD1 3.98Å; L224-I338 HydrophobicContact CD1-CG1 4.25Å; Y232-I338 HydrophobicContact CD1-CD1 4.48Å; Y232-I338 HydrophobicContact CE1-CD1 3.68Å; Y232-I338 HydrophobicContact CE1-CG2 4.19Å; Y232-I338 HydrophobicContact CE2-CD1 4.45Å; C315-I338 VanDerWaalsContact O-CA 3.28Å; C315-I338 WeakPolarHBondContact O-CA 3.48Å; K317-I338 HydrophobicContact CB-CG2 4.03Å; I338-E346 HydrophobicContact CG2-CB 4.42Å; I338-E346 PolarHBondContact O-N 2.72Å; I338-G347 PolarHBondContact N-O 2.94Å; I338-G347 PolarHBondContact O-N 3.11Å; I338-I349 HydrophobicContact CD1-CB 4.25Å; I338-I349 HydrophobicContact CD1-CG2 4.43Å; I338-I349 HydrophobicContact CG1-CG2 4.24Å
339	I	97.7	Very high	95.4	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	159	-178.8	61.4	170.5	0	0	0	111.4	L270 T314 C315 L316 I337 N343 K344	L270-I339 HydrophobicContact CD2-CG2 3.99Å; T314-I339 HydrophobicContact CG2-CD1 4.01Å; T314-I339 HydrophobicContact CG2-CG1 4.41Å; T314-I339 HydrophobicContact CG2-CG2 3.91Å; C315-I339 PolarHBondContact O-N 3.38Å; L316-I339 HydrophobicContact CD2-CG1 4.21Å; L316-I339 WeakPolarHBondContact CD2-O 3.47Å; I337-I339 HydrophobicContact CG2-CG2 4.09Å; I339-N343 WeakPolarHBondContact CD1-OD1 3.18Å; I339-K344 CarbonylContact C-O 3.54Å; I339-K344 WeakPolarHBondContact CA-O 3.47Å
340	D	96.5	Very high	95.4	Very high	36 Å²	36	42.9 Å²	42.9	19%	0.193	22%	0.221	C	C	.	.			trans	-85.9	-179.2	166.1	72.8	6.5	0	0	0	111.9	N342 N343 K344 E346	D340-N342 PolarHBondContact O-N 3.22Å; D340-N342 VanDerWaalsContact OD1-C 3.25Å; D340-N342 VanDerWaalsContact OD1-CA 3.28Å; D340-N342 WeakPolarHBondContact OD1-CA 3.2Å; D340-N342 WeakPolarHBondContact OD1-CB 3.5Å; D340-N342 PolarHBondContact OD1-N 3.14Å; D340-N343 PolarHBondContact O-N 3.26Å; D340-N343 VanDerWaalsContact O-N 3.1Å; D340-N343 PolarHBondContact OD1-N 3.4Å; D340-N343 VanDerWaalsContact OD1-N 3.11Å; D340-K344 PolarHBondContact N-O 3.14Å; D340-K344 WeakPolarHBondContact OD1-CB 3.39Å; D340-K344 PolarHBondContact OD1-N 3.13Å; D340-E346 HydrophobicContact CB-CG 3.89Å
341	E	94.8	Very high	95.6	Very high	190 Å²	190	37 Å²	37	89%	0.888	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.1	177.3	-61.3	176.8	-175.9	0	0	113.4
342	N	95.7	Very high	95.7	Very high	99 Å²	99	36 Å²	36	53%	0.529	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	13.3	179	-60.6	-59.4	0	0	0	112.5	Q269 D340 K344	Q269-N342 WeakPolarHBondContact CG-O 3.31Å; Q269-N342 PolarHBondContact NE2-O 3.13Å; D340-N342 PolarHBondContact O-N 3.22Å; D340-N342 VanDerWaalsContact OD1-C 3.25Å; D340-N342 VanDerWaalsContact OD1-CA 3.28Å; D340-N342 WeakPolarHBondContact OD1-CA 3.2Å; D340-N342 WeakPolarHBondContact OD1-CB 3.5Å; D340-N342 PolarHBondContact OD1-N 3.14Å; N342-K344 HydrophobicContact CB-CG 4.18Å; N342-K344 PolarHBondContact O-N 3.39Å
343	N	95.9	Very high	95.9	Very high	55 Å²	55	37 Å²	37	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	60.4	26.8	-175.3	-170.5	45.2	0	0	0	114	Q269 L270 I339 D340	Q269-N343 CarbonylContact C-O 3.59Å; Q269-N343 WeakPolarHBondContact CA-O 3.43Å; L270-N343 PolarHBondContact N-O 2.97Å; L270-N343 PolarHBondContact O-ND2 3.35Å; I339-N343 WeakPolarHBondContact CD1-OD1 3.18Å; D340-N343 PolarHBondContact O-N 3.26Å; D340-N343 VanDerWaalsContact O-N 3.1Å; D340-N343 PolarHBondContact OD1-N 3.4Å; D340-N343 VanDerWaalsContact OD1-N 3.11Å
344	K	97.1	Very high	96.1	Very high	80 Å²	80	34.8 Å²	34.8	35%	0.348	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-91.8	142.4	173.8	-53.9	-171	-174.9	-155.2	0	110.2	D267 Q269 I339 D340 N342 E346	D267-K344 WeakPolarHBondContact O-CE 3.05Å; D267-K344 PolarHBondContact O-NZ 2.9Å; Q269-K344 HydrophobicContact CG-CG 4.47Å; I339-K344 CarbonylContact C-O 3.54Å; I339-K344 WeakPolarHBondContact CA-O 3.47Å; D340-K344 PolarHBondContact N-O 3.14Å; D340-K344 WeakPolarHBondContact OD1-CB 3.39Å; D340-K344 PolarHBondContact OD1-N 3.13Å; N342-K344 HydrophobicContact CB-CG 4.18Å; N342-K344 PolarHBondContact O-N 3.39Å; K344-E346 PolarHBondContact O-N 3.47Å
345	V	97.2	Very high	96.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	119.3	-179.6	-178.6	0	0	0	0	110.4	K233 V236 T238 P261 V263 L270 I337	K233-V345 WeakPolarHBondContact CD-O 3.13Å; K233-V345 WeakPolarHBondContact CE-O 3.29Å; K233-V345 PolarHBondContact NZ-O 3.14Å; V236-V345 HydrophobicContact CG1-CG1 4.05Å; T238-V345 HydrophobicContact CG2-CB 4.38Å; T238-V345 HydrophobicContact CG2-CG1 4.25Å; P261-V345 HydrophobicContact CB-CG2 4.02Å; P261-V345 HydrophobicContact CG-CG1 4.4Å; V263-V345 HydrophobicContact CG1-CG2 3.81Å; L270-V345 HydrophobicContact CB-CG2 4.02Å; L270-V345 HydrophobicContact CD1-CG2 3.91Å; L270-V345 HydrophobicContact CG-CG2 4.45Å; I337-V345 HydrophobicContact CG2-CB 4.43Å; I337-V345 HydrophobicContact CG2-CG1 3.92Å; I337-V345 HydrophobicContact CG2-CG2 3.97Å
346	E	97.1	Very high	96	Very high	45 Å²	45	34.8 Å²	34.8	21%	0.21	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-33.8	170	-70.1	-163.3	150.6	0	0	112	Y232 K233 K317 I338 D340 K344	Y232-E346 WeakPolarHBondContact CA-O 3.31Å; K233-E346 PolarHBondContact N-O 3.09Å; K317-E346 VanDerWaalsContact CD-OE2 3.31Å; K317-E346 WeakPolarHBondContact CD-OE2 3.23Å; K317-E346 WeakPolarHBondContact CE-OE2 3.46Å; K317-E346 VanDerWaalsContact NZ-CD 3.28Å; K317-E346 IonicContact NZ-OE1 2.69Å; K317-E346 PolarHBondContact NZ-OE1 3.23Å; K317-E346 IonicContact NZ-OE2 3.97Å; K317-E346 PolarHBondContact NZ-OE2 3.28Å; I338-E346 HydrophobicContact CG2-CB 4.42Å; I338-E346 PolarHBondContact O-N 2.72Å; D340-E346 HydrophobicContact CB-CG 3.89Å; K344-E346 PolarHBondContact O-N 3.47Å
347	G	97.5	Very high	95.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	178.7	-168.4	0	0	0	0	0	114.8	T231 I338	T231-G347 CarbonylContact O-C 3.43Å; T231-G347 WeakPolarHBondContact O-CA 3.32Å; I338-G347 PolarHBondContact N-O 2.94Å; I338-G347 PolarHBondContact O-N 3.11Å
348	I	97.5	Very high	95.4	Very high	22 Å²	22	35.8 Å²	35.8	11%	0.113	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.7	170	-57.8	-177	0	0	0	108	G230 T231 V236 P261 R335 I337	G230-I348 CarbonylContact C-O 3.59Å; G230-I348 VanDerWaalsContact CA-O 3.3Å; G230-I348 WeakPolarHBondContact CA-O 3.2Å; T231-I348 PolarHBondContact N-O 3.27Å; T231-I348 PolarHBondContact O-N 3.21Å; V236-I348 HydrophobicContact CG1-CD1 3.83Å; V236-I348 HydrophobicContact CG1-CG1 3.94Å; V236-I348 HydrophobicContact CG2-CG1 4.36Å; P261-I348 HydrophobicContact CG-CD1 3.83Å; P261-I348 HydrophobicContact CG-CG1 4.46Å; R335-I348 HydrophobicContact CB-CG2 4.14Å; R335-I348 HydrophobicContact CG-CG2 4.26Å; I337-I348 HydrophobicContact CD1-CD1 4.09Å; I337-I348 HydrophobicContact CD1-CG1 3.93Å; I337-I348 HydrophobicContact CD1-CG2 4.43Å
349	I	97.4	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.5	169.6	-176.2	160.6	0	0	0	110.2	L224 L229 V324 R335 L336 I338 D353 I354	L224-I349 HydrophobicContact CD1-CB 4.41Å; L224-I349 HydrophobicContact CD1-CD1 3.92Å; L224-I349 HydrophobicContact CD1-CG2 4.03Å; L224-I349 HydrophobicContact CD2-CD1 3.49Å; L224-I349 VanDerWaalsContact CD2-CD1 3.49Å; L224-I349 HydrophobicContact CG-CD1 4.31Å; L229-I349 HydrophobicContact CB-CD1 3.97Å; V324-I349 HydrophobicContact CG1-CD1 4.12Å; V324-I349 HydrophobicContact CG1-CG2 4.03Å; R335-I349 CarbonylContact C-O 3.53Å; R335-I349 WeakPolarHBondContact CA-O 3.48Å; R335-I349 WeakPolarHBondContact CB-O 3.29Å; L336-I349 HydrophobicContact CB-CG2 4Å; L336-I349 PolarHBondContact N-O 3.31Å; L336-I349 PolarHBondContact O-N 3.35Å; I338-I349 HydrophobicContact CD1-CB 4.25Å; I338-I349 HydrophobicContact CD1-CG2 4.43Å; I338-I349 HydrophobicContact CG1-CG2 4.24Å; I349-D353 HydrophobicContact CG1-CB 4.32Å; I349-I354 HydrophobicContact CD1-CD1 4.45Å; I349-I354 HydrophobicContact CD1-CG1 4.04Å; I349-I354 HydrophobicContact CG1-CD1 4.39Å; I349-I354 HydrophobicContact CG1-CG1 4.11Å
350	S	95.6	Very high	94	Very high	22 Å²	22	38.4 Å²	38.4	15%	0.154	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	164.6	-178.1	75	0	0	0	0	112.7	S352 D353 I354	S350-S352 PolarHBondContact O-N 3.48Å; S350-S352 PolarHBondContact OG-N 2.73Å; S350-D353 WeakPolarHBondContact CA-OD2 3.47Å; S350-D353 VanDerWaalsContact CB-OD2 3.29Å; S350-D353 WeakPolarHBondContact CB-OD2 3.14Å; S350-D353 PolarHBondContact N-OD2 3.33Å; S350-D353 PolarHBondContact O-N 3.33Å; S350-D353 VanDerWaalsContact O-N 3.16Å; S350-D353 VanDerWaalsContact OG-CG 3.24Å; S350-D353 PolarHBondContact OG-N 3.09Å; S350-D353 PolarHBondContact OG-OD2 2.86Å; S350-I354 PolarHBondContact O-N 3.29Å
351	L	95.3	Very high	92.7	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-33.2	169.8	-70	169.7	0	0	0	112.9	H200 K201 L204 I328 H334 L355	H200-L351 HydrophobicContact CB-CB 3.85Å; H200-L351 HydrophobicContact CB-CD1 4.35Å; K201-L351 HydrophobicContact CB-CD1 3.66Å; K201-L351 HydrophobicContact CG-CD1 4.38Å; L204-L351 HydrophobicContact CB-CD2 4.14Å; L204-L351 HydrophobicContact CD2-CD2 3.3Å; L204-L351 HydrophobicContact CG-CD2 4.35Å; I328-L351 HydrophobicContact CG2-CD2 3.43Å; I328-L351 VanDerWaalsContact CG2-CD2 3.43Å; I328-L351 HydrophobicContact CG2-CG 4.16Å; H334-L351 HydrophobicContact CB-CD1 4.21Å; H334-L351 WeakPolarHBondContact O-CG 3.47Å; H334-L351 PolarHBondContact O-N 2.96Å; L351-L355 WeakPolarHBondContact O-CB 3.39Å; L351-L355 PolarHBondContact O-N 3.41Å
352	S	93.9	Very high	91.2	Very high	30 Å²	30	31.3 Å²	31.3	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-72	-36.9	179	-61.6	0	0	0	0	111.8	H200 S350 L355 K356	H200-S352 PolarHBondContact CD2-OG 3.42Å; H200-S352 PolarHBondContact CE1-OG 3.25Å; H200-S352 PolarHBondContact NE2-OG 3.48Å; S350-S352 PolarHBondContact O-N 3.48Å; S350-S352 PolarHBondContact OG-N 2.73Å; S352-L355 PolarHBondContact O-N 2.84Å; S352-K356 VanDerWaalsContact O-CB 3.23Å; S352-K356 WeakPolarHBondContact O-CB 3.33Å; S352-K356 PolarHBondContact O-N 3.28Å
353	D	94.7	Very high	89.2	Confident	39 Å²	39	30.1 Å²	30.1	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-44.6	175.4	-57.7	-52.7	0	0	0	110.8	I349 S350 F357	I349-D353 HydrophobicContact CG1-CB 4.32Å; S350-D353 WeakPolarHBondContact CA-OD2 3.47Å; S350-D353 VanDerWaalsContact CB-OD2 3.29Å; S350-D353 WeakPolarHBondContact CB-OD2 3.14Å; S350-D353 PolarHBondContact N-OD2 3.33Å; S350-D353 PolarHBondContact O-N 3.33Å; S350-D353 VanDerWaalsContact O-N 3.16Å; S350-D353 VanDerWaalsContact OG-CG 3.24Å; S350-D353 PolarHBondContact OG-N 3.09Å; S350-D353 PolarHBondContact OG-OD2 2.86Å; D353-F357 PolarHBondContact O-N 3.38Å; D353-F357 VanDerWaalsContact O-N 3.16Å
354	I	94.5	Very high	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-48.1	177.3	-62	169.6	0	0	0	110.2	L204 L321 V324 M325 I328 I349 S350 K356 F357 L358	L204-I354 HydrophobicContact CD1-CG2 3.7Å; L204-I354 HydrophobicContact CD2-CD1 4.18Å; L204-I354 HydrophobicContact CD2-CG2 4.17Å; L321-I354 HydrophobicContact CD1-CG1 4.28Å; L321-I354 HydrophobicContact CD1-CG2 4.44Å; V324-I354 HydrophobicContact CG1-CD1 4.35Å; M325-I354 HydrophobicContact CG-CD1 4.29Å; M325-I354 HydrophobicContact CG-CG2 4.04Å; M325-I354 HydrophobicContact SD-CG2 4.03Å; I328-I354 HydrophobicContact CD1-CD1 3.68Å; I349-I354 HydrophobicContact CD1-CD1 4.45Å; I349-I354 HydrophobicContact CD1-CG1 4.04Å; I349-I354 HydrophobicContact CG1-CD1 4.39Å; I349-I354 HydrophobicContact CG1-CG1 4.11Å; S350-I354 PolarHBondContact O-N 3.29Å; I354-K356 PolarHBondContact O-N 2.99Å; I354-F357 PolarHBondContact O-N 3.36Å; I354-L358 HydrophobicContact CG2-CD1 3.84Å; I354-L358 HydrophobicContact CG2-CG 4.27Å; I354-L358 WeakPolarHBondContact O-CG 3.4Å; I354-L358 PolarHBondContact O-N 2.96Å
355	L	93	Very high	84.2	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-42.8	-178.7	-169.8	62.2	0	0	0	111.6	L64 I203 L351 S352 F357 L358 T359	L64-L355 HydrophobicContact CD1-CD1 4.41Å; I203-L355 HydrophobicContact CD1-CD2 4.22Å; I203-L355 HydrophobicContact CG2-CD1 3.8Å; L351-L355 WeakPolarHBondContact O-CB 3.39Å; L351-L355 PolarHBondContact O-N 3.41Å; S352-L355 PolarHBondContact O-N 2.84Å; L355-F357 VanDerWaalsContact C-N 3.27Å; L355-F357 PolarHBondContact O-N 2.87Å; L355-L358 PolarHBondContact O-N 3.27Å; L355-T359 HydrophobicContact CD1-CG2 4.12Å; L355-T359 HydrophobicContact CG-CG2 4.31Å; L355-T359 WeakPolarHBondContact O-CG2 3.08Å; L355-T359 PolarHBondContact O-N 3.06Å; L355-T359 PolarHBondContact O-OG1 2.76Å
356	K	92.4	Very high	81.5	Confident	83 Å²	83	38.2 Å²	38.2	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-55.2	-43.1	175.3	174.9	169.2	-176.6	177.7	0	112.2	L177 S352 I354 T359 N360 W361	L177-K356 HydrophobicContact CD1-CB 4.06Å; L177-K356 HydrophobicContact CD2-CB 4.09Å; S352-K356 VanDerWaalsContact O-CB 3.23Å; S352-K356 WeakPolarHBondContact O-CB 3.33Å; S352-K356 PolarHBondContact O-N 3.28Å; I354-K356 PolarHBondContact O-N 2.99Å; K356-T359 PolarHBondContact O-OG1 2.81Å; K356-N360 PolarHBondContact O-N 3.07Å; K356-W361 HydrophobicContact CD-CE3 3.78Å; K356-W361 HydrophobicContact CD-CZ3 4.16Å; K356-W361 WeakPolarHBondContact CE-O 3.42Å; K356-W361 HydrophobicContact CG-CB 4.39Å; K356-W361 HydrophobicContact CG-CE3 3.96Å; K356-W361 PolarHBondContact O-N 2.86Å; K356-W361 VanDerWaalsContact O-N 3.11Å
357	F	92.1	Very high	78.5	Confident	21 Å²	21	43.5 Å²	43.5	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-69.6	-42.7	178.7	176.7	-92	0	0	0	112.7	F219 L227 L229 L321 D353 I354 L355 T359 N360	F219-F357 HydrophobicContact CB-CZ 4.41Å; F219-F357 AromaticContact CD2-CE1 3.59Å; F219-F357 HydrophobicContact CD2-CE1 3.59Å; F219-F357 HydrophobicContact CD2-CZ 4.16Å; F219-F357 AromaticContact CE2-CE1 3.82Å; F219-F357 HydrophobicContact CE2-CE1 3.82Å; F219-F357 HydrophobicContact CG-CE1 4.17Å; F219-F357 HydrophobicContact CG-CZ 4.36Å; L227-F357 HydrophobicContact CB-CE2 4.28Å; L227-F357 HydrophobicContact CB-CZ 4.48Å; L227-F357 HydrophobicContact CD1-CE1 4.4Å; L227-F357 HydrophobicContact CD1-CZ 4.11Å; L227-F357 HydrophobicContact CD2-CE2 4.14Å; L227-F357 HydrophobicContact CD2-CZ 3.76Å; L227-F357 HydrophobicContact CG-CZ 4.34Å; L229-F357 HydrophobicContact CD1-CD1 4.22Å; L229-F357 HydrophobicContact CD1-CD2 4.3Å; L229-F357 HydrophobicContact CD1-CG 4.1Å; L229-F357 HydrophobicContact CD2-CB 3.49Å; L229-F357 VanDerWaalsContact CD2-CB 3.49Å; L229-F357 HydrophobicContact CD2-CD2 3.81Å; L229-F357 HydrophobicContact CD2-CG 3.72Å; L229-F357 HydrophobicContact CG-CD2 4.15Å; L229-F357 HydrophobicContact CG-CG 4.28Å; L321-F357 HydrophobicContact CD2-CD1 4Å; L321-F357 HydrophobicContact CD2-CE1 3.82Å; D353-F357 PolarHBondContact O-N 3.38Å; D353-F357 VanDerWaalsContact O-N 3.16Å; I354-F357 PolarHBondContact O-N 3.36Å; L355-F357 VanDerWaalsContact C-N 3.27Å; L355-F357 PolarHBondContact O-N 2.87Å; F357-T359 VanDerWaalsContact C-N 3.34Å; F357-T359 PolarHBondContact O-N 3.13Å; F357-N360 PolarHBondContact O-N 3.01Å
358	L	89.9	Confident	75.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-29.9	179.9	-65.3	177.7	0	0	0	113.1	Y60 L204 L207 F219 M220 M325 I354 L355 N360	Y60-L358 HydrophobicContact CD1-CD1 4.01Å; Y60-L358 HydrophobicContact CD1-CD2 3.88Å; Y60-L358 HydrophobicContact CD1-CG 4.36Å; Y60-L358 HydrophobicContact CD2-CD2 4.44Å; Y60-L358 HydrophobicContact CE1-CD1 4.33Å; Y60-L358 HydrophobicContact CE1-CD2 4.2Å; Y60-L358 HydrophobicContact CG-CD2 4.03Å; L204-L358 HydrophobicContact CD1-CD1 3.94Å; L207-L358 HydrophobicContact CD1-CD1 4.04Å; F219-L358 HydrophobicContact CE2-CD2 3.79Å; F219-L358 HydrophobicContact CZ-CD2 3.99Å; M220-L358 HydrophobicContact CE-CD2 3.96Å; M325-L358 HydrophobicContact CE-CD1 4.48Å; M325-L358 HydrophobicContact SD-CD1 4.31Å; I354-L358 HydrophobicContact CG2-CD1 3.84Å; I354-L358 HydrophobicContact CG2-CG 4.27Å; I354-L358 WeakPolarHBondContact O-CG 3.4Å; I354-L358 PolarHBondContact O-N 2.96Å; L355-L358 PolarHBondContact O-N 3.27Å; L358-N360 VanDerWaalsContact C-N 3.33Å
359	T	85.8	Confident	72.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-0.6	177.6	58.1	0	0	0	0	113.9	L64 L170 L355 K356 F357 W361	L64-T359 HydrophobicContact CD1-CG2 3.64Å; L170-T359 HydrophobicContact CD1-CG2 4Å; L355-T359 HydrophobicContact CD1-CG2 4.12Å; L355-T359 HydrophobicContact CG-CG2 4.31Å; L355-T359 WeakPolarHBondContact O-CG2 3.08Å; L355-T359 PolarHBondContact O-N 3.06Å; L355-T359 PolarHBondContact O-OG1 2.76Å; K356-T359 PolarHBondContact O-OG1 2.81Å; F357-T359 VanDerWaalsContact C-N 3.34Å; F357-T359 PolarHBondContact O-N 3.13Å; T359-W361 PolarHBondContact O-N 3.43Å
360	N	79.7	Confident	69	Low	74 Å²	74	64.1 Å²	64.1	40%	0.396	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	39.9	-171.9	-159.2	57.3	0	0	0	112.7	R57 K356 F357 L358 S362	R57-N360 PolarHBondContact NH1-OD1 3.06Å; K356-N360 PolarHBondContact O-N 3.07Å; F357-N360 PolarHBondContact O-N 3.01Å; L358-N360 VanDerWaalsContact C-N 3.33Å; N360-S362 PolarHBondContact O-N 3.02Å
361	W	69.8	Low	66.1	Low	35 Å²	35	72.1 Å²	72.1	13%	0.133	37%	0.368	C	S	.	.			trans	-82	110	-177.2	-174.4	71.7	0	0	0	110.8	L177 Q178 K356 T359 T363	L177-W361 HydrophobicContact CB-CD2 4.15Å; L177-W361 HydrophobicContact CB-CE3 4.04Å; L177-W361 HydrophobicContact CB-CZ3 4.3Å; L177-W361 HydrophobicContact CD1-CB 4.08Å; L177-W361 HydrophobicContact CD1-CD2 4.32Å; L177-W361 HydrophobicContact CD1-CE3 4.34Å; L177-W361 HydrophobicContact CD1-CG 4.21Å; Q178-W361 HydrophobicContact CB-CZ2 4.19Å; K356-W361 HydrophobicContact CD-CE3 3.78Å; K356-W361 HydrophobicContact CD-CZ3 4.16Å; K356-W361 WeakPolarHBondContact CE-O 3.42Å; K356-W361 HydrophobicContact CG-CB 4.39Å; K356-W361 HydrophobicContact CG-CE3 3.96Å; K356-W361 PolarHBondContact O-N 2.86Å; K356-W361 VanDerWaalsContact O-N 3.11Å; T359-W361 PolarHBondContact O-N 3.43Å; W361-T363 HydrophobicContact CH2-CG2 3.43Å; W361-T363 VanDerWaalsContact CH2-CG2 3.43Å; W361-T363 HydrophobicContact CZ2-CG2 4.03Å; W361-T363 HydrophobicContact CZ3-CG2 3.85Å
362	S	62.8	Low	62.9	Low	42 Å²	42	78.5 Å²	78.5	29%	0.294	40%	0.397	S	S	.	.			trans	-99.5	143.5	164.6	32.6	0	0	0	0	109.8	N360 D364	N360-S362 PolarHBondContact O-N 3.02Å; S362-D364 PolarHBondContact O-N 3.29Å
363	T	53.3	Low	59.9	Low	75 Å²	75	85 Å²	85	46%	0.46	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-69.3	-7.3	170.7	41.9	0	0	0	0	112.7	W361 D365	W361-T363 HydrophobicContact CH2-CG2 3.43Å; W361-T363 VanDerWaalsContact CH2-CG2 3.43Å; W361-T363 HydrophobicContact CZ2-CG2 4.03Å; W361-T363 HydrophobicContact CZ3-CG2 3.85Å; T363-D365 VanDerWaalsContact C-N 3.25Å; T363-D365 PolarHBondContact O-N 3.27Å
364	D	44	Very low	56.8	Low	133 Å²	133	90.7 Å²	90.7	71%	0.711	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-81.8	-5.5	-178.9	-54.2	-21.7	0	0	0	112.1	S362 D366	S362-D364 PolarHBondContact O-N 3.29Å; D364-D366 VanDerWaalsContact C-N 3.29Å
365	D	44.7	Very low	53.7	Low	93 Å²	93	97.7 Å²	97.7	50%	0.497	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-83.3	-1.9	172.9	-64.9	-16.2	0	0	0	112.5	T363	T363-D365 VanDerWaalsContact C-N 3.25Å; T363-D365 PolarHBondContact O-N 3.27Å
366	D	41.5	Very low	50.8	Low	80 Å²	80	104.9 Å²	104.9	43%	0.428	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5	-172.5	-76.2	-49.2	0	0	0	114.4	Q178 D364	Q178-D366 PolarHBondContact NE2-OD1 2.92Å; D364-D366 VanDerWaalsContact C-N 3.29Å
367	D	33.5	Very low	47.8	Very low	155 Å²	155	109.6 Å²	109.6	83%	0.829	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.8	-179.3	-81.7	-26.6	0	0	0	115.2
368	D	30.8	Very low	44.9	Very low	151 Å²	151	112.7 Å²	112.7	81%	0.807	58%	0.577	S	S	*	*	S	Bend	trans	-125.4	0.5	-170.4	-96.2	-29.1	0	0	0	118.7
369	D	33.1	Very low	41.9	Very low	137 Å²	137	117.8 Å²	117.8	73%	0.733	61%	0.613	S	S	*	*			trans	-124.1	98.3	-179	-81.6	-38.8	0	0	0	115	Y371	D369-Y371 PolarHBondContact O-N 3.21Å
370	H	28.8	Very low	39.3	Very low	167 Å²	167	127.6 Å²	127.6	77%	0.773	66%	0.656	S	S	*	*			trans	-53.6	93.5	156.1	-91.6	-68.3	0	0	0	110.5	H372	H370-H372 PolarHBondContact O-N 3.1Å
371	Y	34.4	Very low	36.9	Very low	191 Å²	191	132.7 Å²	132.7	75%	0.749	68%	0.677	S	S	*	*			trans	-67.8	81.4	158.4	-86.7	-82	0	0	0	109.2	D369 H373	D369-Y371 PolarHBondContact O-N 3.21Å; Y371-H373 PolarHBondContact O-N 2.9Å
372	H	29	Very low	34.9	Very low	141 Å²	141	142.9 Å²	142.9	65%	0.653	72%	0.715	S	S	*	*			trans	-63.9	107.2	165	-86.2	-63.7	0	0	0	108.8	H370 H374	H370-H372 PolarHBondContact O-N 3.1Å; H372-H374 VanDerWaalsContact C-N 3.3Å; H372-H374 PolarHBondContact O-N 3.21Å
373	H	30.4	Very low	33.2	Very low	167 Å²	167	147 Å²	147	77%	0.773	73%	0.734	S	S	*	*			trans	-55.4	92.7	159.4	-105.4	-48.5	0	0	0	109.3	Y371 N375	Y371-H373 PolarHBondContact O-N 2.9Å; H373-N375 PolarHBondContact O-N 3.48Å
374	H	30.2	Very low	32	Very low	158 Å²	158	151.3 Å²	151.3	73%	0.731	76%	0.755	S	S	*	*			trans	-89.2	92.4	164.8	-107.1	-54.9	0	0	0	109.5	H372 N376	H372-H374 VanDerWaalsContact C-N 3.3Å; H372-H374 PolarHBondContact O-N 3.21Å; H374-N376 PolarHBondContact O-N 3.03Å
375	N	28.7	Very low	31.1	Very low	147 Å²	147	151.8 Å²	151.8	79%	0.786	76%	0.756	S	S	*	*			trans	-60.7	109.8	152.2	-87.9	-19.6	0	0	0	107.7	H373 H377	H373-N375 PolarHBondContact O-N 3.48Å; N375-H377 PolarHBondContact O-N 3.44Å
376	N	31.6	Very low	30.2	Very low	151 Å²	151	153.3 Å²	153.3	81%	0.807	77%	0.769	S	S	*	*			trans	-81.8	100.6	176.2	-95.9	-20.3	0	0	0	110.6	H374	H374-N376 PolarHBondContact O-N 3.03Å
377	H	29.5	Very low	29.4	Very low	182 Å²	182	159.5 Å²	159.5	84%	0.843	79%	0.786	S	S	*	*			trans	-91.2	127.7	145.9	-96.1	-69	0	0	0	109	N375	N375-H377 PolarHBondContact O-N 3.44Å
378	A	30.5	Very low	29.1	Very low	86 Å²	86	158.9 Å²	158.9	71%	0.711	78%	0.78	S	S	*	*	S	Bend	trans	66.3	103.7	151.4	0	0	0	0	0	120
379	S	27.7	Very low	28.9	Very low	109 Å²	109	159.1 Å²	159.1	76%	0.762	77%	0.774	S	S	*	*			trans	43.7	108.1	130.2	64	0	0	0	0	119.8
380	K	32.2	Very low	28.7	Very low	206 Å²	206	160.5 Å²	160.5	90%	0.896	77%	0.773	S	S	*	*				-172.9	129.9	115.7	-106.6	170	-179.5	176.1	0	111.9
381	Q	28.4	Very low	28.7	Very low	180 Å²	180	160.1 Å²	160.1	84%	0.841	77%	0.77	S	S	*	*			trans	-24.7	127.8	169.2	-68.4	163.6	-11.7	0	0	116.1
382	R	28.6	Very low	28.6	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	76%	0.762	S	S	*	*			trans	-139.3	117.5	137	-124.8	175.2	-179.5	161.6	-1	108.9
383	N	27	Very low	28.7	Very low	128 Å²	128	153.5 Å²	153.5	68%	0.684	75%	0.754	S	S	*	*			trans	-69	121.5	175.9	-71.3	-37	0	0	0	108.9
384	D	28.4	Very low	29	Very low	167 Å²	167	149.6 Å²	149.6	89%	0.893	74%	0.739	S	S	*	*			trans	-142.5	93.7	141.7	-84.8	-39.2	0	0	0	107.7	V386	D384-V386 PolarHBondContact O-N 2.89Å
385	L	24.6	Very low	29.1	Very low	143 Å²	143	147.9 Å²	147.9	75%	0.749	74%	0.742	S	S	*	*			trans	-69.4	100.3	174.2	-89.1	126.9	0	0	0	109.5
386	V	26.1	Very low	29.5	Very low	124 Å²	124	148.3 Å²	148.3	75%	0.752	74%	0.743	S	S	*	*			trans	-106.2	96.6	152.1	-177.8	0	0	0	0	107.9	D384 M388	D384-V386 PolarHBondContact O-N 2.89Å; V386-M388 VanDerWaalsContact C-N 3.32Å; V386-M388 PolarHBondContact O-N 3.01Å
387	R	24.7	Very low	29.6	Very low	210 Å²	210	150.9 Å²	150.9	79%	0.792	74%	0.741	S	S	*	*			trans	-74	79	-178.3	-155.8	-179.6	-164.1	-177.3	5.8	109.3	K389	R387-K389 PolarHBondContact O-N 3.08Å; R387-K389 VanDerWaalsContact O-N 3.13Å
388	M	26.2	Very low	29.8	Very low	142 Å²	142	149.9 Å²	149.9	70%	0.7	74%	0.742	S	S	*	*			trans	-80.7	91.1	173.1	-136.1	179.8	-80.1	0	0	109.1	M44 V386 K390	M44-M388 HydrophobicContact CE-CE 4.12Å; M44-M388 HydrophobicContact SD-CE 4.23Å; V386-M388 VanDerWaalsContact C-N 3.32Å; V386-M388 PolarHBondContact O-N 3.01Å; M388-K390 PolarHBondContact O-N 2.9Å; M388-K390 VanDerWaalsContact O-N 3.14Å
389	K	27.4	Very low	29.7	Very low	157 Å²	157	150.9 Å²	150.9	68%	0.683	74%	0.744	S	S	*	*			trans	-65.3	108.6	168.6	-89.4	-176.5	171.8	-177	0	108.4	R387 F391	R387-K389 PolarHBondContact O-N 3.08Å; R387-K389 VanDerWaalsContact O-N 3.13Å; K389-F391 PolarHBondContact O-N 3.21Å; K389-F391 VanDerWaalsContact O-N 3.11Å
390	K	28.8	Very low	30.1	Very low	165 Å²	165	157 Å²	157	72%	0.717	75%	0.752	S	S	*	*			trans	-47.7	109.6	158.4	-100.9	174	169.2	176.4	0	109.3	M388 I392	M388-K390 PolarHBondContact O-N 2.9Å; M388-K390 VanDerWaalsContact O-N 3.14Å; K390-I392 HydrophobicContact CB-CG1 4.37Å; K390-I392 HydrophobicContact CD-CD1 3.84Å; K390-I392 HydrophobicContact CD-CG1 4.33Å; K390-I392 HydrophobicContact CG-CD1 4.23Å; K390-I392 HydrophobicContact CG-CG1 4.15Å
391	F	27.7	Very low	30.3	Very low	160 Å²	160	160 Å²	160	70%	0.702	77%	0.769	S	S	*	*			trans	-99.4	108.9	146.4	-80.2	-85.4	0	0	0	105.7	Q37 K389	Q37-F391 PolarHBondContact NE2-O 3.33Å; K389-F391 PolarHBondContact O-N 3.21Å; K389-F391 VanDerWaalsContact O-N 3.11Å
392	I	32.7	Very low	30.4	Very low	113 Å²	113	159.1 Å²	159.1	58%	0.579	77%	0.766	S	S	*	*			trans	-97.9	97.2	170	-62.8	171.1	0	0	0	104.8	K390	K390-I392 HydrophobicContact CB-CG1 4.37Å; K390-I392 HydrophobicContact CD-CD1 3.84Å; K390-I392 HydrophobicContact CD-CG1 4.33Å; K390-I392 HydrophobicContact CG-CD1 4.23Å; K390-I392 HydrophobicContact CG-CG1 4.15Å
393	T	31.7	Very low	30.4	Very low	80 Å²	80	154.3 Å²	154.3	49%	0.491	76%	0.757	S	S	.	*			trans	-99.6	102.7	157.2	64.8	0	0	0	0	107.6	Q37 P395	Q37-T393 WeakPolarHBondContact CG-OG1 3.4Å; Q37-T393 VanDerWaalsContact NE2-N 3.15Å; Q37-T393 PolarHBondContact NE2-OG1 2.86Å; Q37-T393 PolarHBondContact OE1-OG1 2.95Å; T393-P395 WeakPolarHBondContact O-CD 3.48Å
394	N	37.1	Very low	30.6	Very low	85 Å²	85	155.8 Å²	155.8	46%	0.455	76%	0.761	S	S	.	*			trans	-75.1	115.7	168.4	-166.7	-2	0	0	0	107.6	L396 R397	N394-L396 PolarHBondContact O-N 3.49Å; N394-R397 PolarHBondContact O-N 3.19Å
395	P	31.3	Very low	30.8	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	8.3	-174.7	-16.5	30.6	0	0	0	115.2	T393	T393-P395 WeakPolarHBondContact O-CD 3.48Å
396	L	37.2	Very low	31.2	Very low	155 Å²	155	155.9 Å²	155.9	81%	0.812	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	14.7	179.7	-68.2	169.9	0	0	0	113.9	N394	N394-L396 PolarHBondContact O-N 3.49Å
397	R	34.3	Very low	31.5	Very low	205 Å²	205	158 Å²	158	77%	0.774	75%	0.753	S	S	*	*			trans	-131.2	94.9	174.4	-103.7	-177.7	174.6	-175.8	-0.9	111.2	N394	N394-R397 PolarHBondContact O-N 3.19Å
398	N	32.5	Very low	32	Very low	162 Å²	162	154.3 Å²	154.3	87%	0.866	75%	0.751	S	S	*	*			trans	-170.2	78	146.6	-93.9	-14.6	0	0	0	108.8
399	S	29.3	Very low	32.4	Very low	107 Å²	107	155.2 Å²	155.2	75%	0.748	76%	0.755	S	S	*	*			trans	-165.6	68.1	158.8	44.9	0	0	0	0	110.2
400	Y	35.6	Very low	32.8	Very low	238 Å²	238	155.1 Å²	155.1	93%	0.933	76%	0.761	S	S	*	*			trans	-157	75.6	159.5	-86.2	-73.3	0	0	0	108.8
401	Q	35.9	Very low	33.2	Very low	269 Å²	269	154.2 Å²	154.2	100%	1.257	76%	0.764	S	S	*	*			trans	-171.3	0	143.4	-106.7	-177.7	0.2	0	0	108.2

Retrieved 401 of 401 residues in 723.6 ms (Link to these results)

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