A0A3Q0KP92_SCHMA Loading...

glutaminase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KP92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 593 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	26	Very low	243 Å²	243	176.8 Å²	176.8	100%	1.197	86%	0.861	S	S	*	*				0	120.1	0	-95.7	172	167.7	0	0	108.4
2	I	26.5	Very low	26	Very low	151 Å²	151	171 Å²	171	77%	0.774	85%	0.85	S	S	*	*			trans	62.7	84.8	174.4	-43.3	-179.8	0	0	0	116.7	R4	I2-R4 HydrophobicContact CG2-CG 4.1Å
3	F	22.4	Very low	26.3	Very low	218 Å²	218	165.5 Å²	165.5	96%	0.956	84%	0.838	S	S	*	*			trans	-78.7	113.3	152.1	-92.3	-91.6	0	0	0	108.7	G5	F3-G5 PolarHBondContact O-N 2.85Å
4	R	26	Very low	26.3	Very low	235 Å²	235	168.1 Å²	168.1	89%	0.887	84%	0.841	S	S	*	*			trans	-88.1	98.3	165.6	-85.9	-172.9	175	-176.8	-0.2	108.9	I2	I2-R4 HydrophobicContact CG2-CG 4.1Å
5	G	26.3	Very low	26.4	Very low	68 Å²	68	167.5 Å²	167.5	70%	0.701	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-73.2	122.2	162.2	0	0	0	0	0	110.2	F3 R7	F3-G5 PolarHBondContact O-N 2.85Å; G5-R7 PolarHBondContact O-N 3.33Å
6	S	27.6	Very low	26.6	Very low	124 Å²	124	161.7 Å²	161.7	87%	0.867	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-63	116.7	171.6	37.6	0	0	0	0	110.6
7	R	27.2	Very low	26.9	Very low	225 Å²	225	163.1 Å²	163.1	85%	0.849	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.3	123.1	173.2	-75.1	178.3	176.5	179.4	-1.9	110.3	G5 T9	G5-R7 PolarHBondContact O-N 3.33Å; R7-T9 HydrophobicContact CB-CG2 4.44Å; R7-T9 PolarHBondContact O-N 3.4Å
8	L	24.7	Very low	27.3	Very low	166 Å²	166	162.3 Å²	162.3	87%	0.869	82%	0.822	S	S	*	*			trans	-71.3	99.1	151.5	-87.6	149	0	0	0	108
9	T	27.5	Very low	27.7	Very low	115 Å²	115	158.6 Å²	158.6	71%	0.706	80%	0.803	S	S	*	*			trans	-92.1	106.6	165.3	39.6	0	0	0	0	109.1	R7 F11	R7-T9 HydrophobicContact CB-CG2 4.44Å; R7-T9 PolarHBondContact O-N 3.4Å; T9-F11 PolarHBondContact O-N 3.31Å
10	Y	27.6	Very low	27.9	Very low	186 Å²	186	159.1 Å²	159.1	73%	0.729	80%	0.8	S	S	*	*			trans	-59.9	127	164.1	-93.1	-98.3	0	0	0	110	C12	Y10-C12 PolarHBondContact O-N 3.35Å; Y10-C12 VanDerWaalsContact O-N 3.1Å
11	F	23.6	Very low	28.1	Very low	214 Å²	214	155.8 Å²	155.8	94%	0.939	79%	0.792	S	S	*	*			trans	-63.7	103	160.8	-102.3	-95.7	0	0	0	108.5	T9	T9-F11 PolarHBondContact O-N 3.31Å
12	C	26.1	Very low	28.3	Very low	107 Å²	107	153.3 Å²	153.3	72%	0.723	77%	0.769	S	S	*	*			trans	-98.2	103.5	162.2	-167.1	0	0	0	0	106.9	Y10	Y10-C12 PolarHBondContact O-N 3.35Å; Y10-C12 VanDerWaalsContact O-N 3.1Å
13	S	29.8	Very low	28.6	Very low	100 Å²	100	151.1 Å²	151.1	70%	0.699	76%	0.758	S	S	*	*			trans	-66.3	137.5	170.9	61	0	0	0	0	109.4	N15	S13-N15 PolarHBondContact O-N 2.91Å
14	K	26.9	Very low	29.1	Very low	202 Å²	202	147.4 Å²	147.4	88%	0.878	75%	0.748	S	S	*	*	S	Bend	trans	-53.4	100.6	176.7	-69.9	176	173.9	-179.9	0	110.2
15	N	28.2	Very low	29.2	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	74%	0.744	S	S	*	*			trans	-175.8	44.7	157.6	-92.4	-19.7	0	0	0	112.5	S13	S13-N15 PolarHBondContact O-N 2.91Å
16	C	29.4	Very low	29.3	Very low	74 Å²	74	150.4 Å²	150.4	50%	0.5	75%	0.751	S	S	.	*			trans	-135.9	42.8	-178.1	-91	0	0	0	0	114.7
17	E	31.4	Very low	29.2	Very low	186 Å²	186	157.3 Å²	157.3	87%	0.869	76%	0.758	S	S	*	*	S	Bend	trans	-84.3	-10	169.9	-73.6	-167.1	155.3	0	0	114.1
18	N	34.9	Very low	29.2	Very low	149 Å²	149	149.8 Å²	149.8	80%	0.797	74%	0.744	S	S	*	*	S	Bend	trans	-97.3	1.4	-177.8	-78.8	-34.4	0	0	0	116.1
19	I	33.9	Very low	29.2	Very low	91 Å²	91	148.6 Å²	148.6	47%	0.467	74%	0.737	S	S	.	*	S	Bend	trans	-97.3	-19.8	179.7	-69.9	172.3	0	0	0	112.6	S21 W22 I23	I19-S21 VanDerWaalsContact C-N 3.29Å; I19-S21 PolarHBondContact O-N 3.39Å; I19-W22 PolarHBondContact O-N 2.91Å; I19-I23 HydrophobicContact CG2-CD1 4.06Å
20	K	32.8	Very low	29.3	Very low	169 Å²	169	151.8 Å²	151.8	74%	0.735	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	179.2	-80	-178.2	175.7	177.2	0	114.2
21	S	31.9	Very low	29.3	Very low	90 Å²	90	149 Å²	149	63%	0.629	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-10	-179.9	139.4	0	0	0	0	114.1	I19	I19-S21 VanDerWaalsContact C-N 3.29Å; I19-S21 PolarHBondContact O-N 3.39Å
22	W	29.8	Very low	29.5	Very low	190 Å²	190	143.2 Å²	143.2	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-16.3	-177.5	-151.2	66	0	0	0	113.8	I19 N24 Q62	I19-W22 PolarHBondContact O-N 2.91Å; W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.97Å; W22-Q62 VanDerWaalsContact CZ2-NE2 3.34Å; W22-Q62 VanDerWaalsContact NE1-NE2 3.11Å
23	I	33.6	Very low	29.8	Very low	106 Å²	106	147.6 Å²	147.6	54%	0.544	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	-14.9	-177.2	-67.8	173.5	0	0	0	112.5	I19	I19-I23 HydrophobicContact CG2-CD1 4.06Å
24	N	32.1	Very low	30.2	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-2.2	-172.1	-78.6	-12	0	0	0	116.1	W22	W22-N24 VanDerWaalsContact C-N 3.32Å; W22-N24 PolarHBondContact O-N 2.97Å
25	E	28.1	Very low	30.9	Very low	175 Å²	175	140.8 Å²	140.8	82%	0.818	70%	0.703	S	S	*	*	S	Bend	trans	-118.3	4.1	-168.3	-102.5	-178.5	-177.1	0	0	118.2
26	K	27.6	Very low	31.4	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	69%	0.694	S	S	*	*	S	Bend	trans	-140.4	135.8	170.2	-72.5	-165.9	176.3	-177.1	0	114.1	A28	K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 3.21Å
27	R	26.5	Very low	32	Very low	269 Å²	269	137.9 Å²	137.9	100%	1.015	67%	0.67	S	S	*	*	S	Bend	trans	-50.5	72.6	175.8	-75.3	174.9	162.6	166.8	-5.9	114
28	A	26.2	Very low	32.9	Very low	67 Å²	67	133.2 Å²	133.2	55%	0.554	65%	0.651	S	S	*	*			trans	-143.2	30.4	176.8	0	0	0	0	0	113.7	K26 H30	K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 3.21Å; A28-H30 PolarHBondContact O-N 3Å
29	I	25.8	Very low	33.6	Very low	142 Å²	142	131.1 Å²	131.1	73%	0.728	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	15.4	-179.3	-63.1	176.5	0	0	0	113
30	H	29.3	Very low	34.4	Very low	182 Å²	182	128.9 Å²	128.9	84%	0.843	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	10.2	170.9	-105.3	10.4	0	0	0	116.4	A28	A28-H30 PolarHBondContact O-N 3Å
31	L	28.3	Very low	35.3	Very low	126 Å²	126	122.4 Å²	122.4	66%	0.66	60%	0.598	S	S	*	*			trans	-120.5	10.1	-179.2	-96.3	141.3	0	0	0	115.7	K33	L31-K33 PolarHBondContact O-N 2.8Å
32	C	27	Very low	36.4	Very low	94 Å²	94	121 Å²	121	64%	0.635	58%	0.583	S	S	*	*			trans	-99.4	70.8	177.6	-135.5	0	0	0	0	111.7
33	K	32.2	Very low	37.5	Very low	198 Å²	198	115 Å²	115	86%	0.861	57%	0.574	S	S	*	*			trans	-112.2	11.3	165.6	-95.8	-169.9	-179.9	-179.6	0	114.2	L31	L31-K33 PolarHBondContact O-N 2.8Å
34	T	37.2	Very low	38.4	Very low	44 Å²	44	110 Å²	110	27%	0.27	55%	0.549	S	S	.	.			trans	-125.6	83.3	169.3	45.2	0	0	0	0	110.5	R36 S37	T34-R36 PolarHBondContact O-N 3.3Å; T34-R36 VanDerWaalsContact O-N 3.13Å; T34-S37 WeakPolarHBondContact CB-OG 3.49Å; T34-S37 PolarHBondContact O-N 3.28Å; T34-S37 PolarHBondContact OG1-OG 3.07Å
35	T	41.7	Very low	39.4	Very low	115 Å²	115	103.5 Å²	103.5	71%	0.706	52%	0.515	S	S	*	.	H	α-helix	trans	-55.4	-22	167.4	37.7	0	0	0	0	112.5	H39	T35-H39 PolarHBondContact O-N 3.39Å
36	R	40	Very low	40.6	Very low	170 Å²	170	98.5 Å²	98.5	64%	0.642	50%	0.499	S	S	*	.	H	α-helix	trans	-68.3	-53.8	177.9	-107.1	-179.6	175	174.7	-2	113.9	T34 L38 H39 I40	T34-R36 PolarHBondContact O-N 3.3Å; T34-R36 VanDerWaalsContact O-N 3.13Å; R36-L38 PolarHBondContact O-N 3.1Å; R36-H39 WeakPolarHBondContact O-CA 3.4Å; R36-H39 WeakPolarHBondContact O-CB 3.36Å; R36-H39 PolarHBondContact O-N 3.16Å; R36-I40 WeakPolarHBondContact O-CG1 3.43Å; R36-I40 PolarHBondContact O-N 3.37Å
37	S	41.2	Very low	41.7	Very low	2 Å²	2	96.1 Å²	96.1	1%	0.014	49%	0.489	C	S	.	.	H	α-helix	trans	-61.2	-35.6	-178.6	-18.1	0	0	0	0	111.6	T34 I40 L41 D156	T34-S37 WeakPolarHBondContact CB-OG 3.49Å; T34-S37 PolarHBondContact O-N 3.28Å; T34-S37 PolarHBondContact OG1-OG 3.07Å; S37-I40 PolarHBondContact O-N 3.2Å; S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 WeakPolarHBondContact O-CG 3.25Å; S37-L41 PolarHBondContact O-N 2.95Å; S37-D156 WeakPolarHBondContact CA-OD2 3.39Å; S37-D156 VanDerWaalsContact CB-OD2 3.25Å; S37-D156 WeakPolarHBondContact CB-OD2 3.48Å; S37-D156 PolarHBondContact N-OD2 3.16Å; S37-D156 VanDerWaalsContact N-OD2 3.07Å; S37-D156 PolarHBondContact OG-OD2 3.04Å
38	L	50.3	Low	42.7	Very low	88 Å²	88	85.8 Å²	85.8	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-38.5	175.9	-137.5	101.5	0	0	0	112	R36 L41 N42	R36-L38 PolarHBondContact O-N 3.1Å; L38-L41 PolarHBondContact O-N 3.39Å; L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 3.42Å; L38-N42 PolarHBondContact O-ND2 3.4Å; L38-N42 PolarHBondContact O-OD1 3.48Å
39	H	50.1	Low	43.6	Very low	106 Å²	106	88.2 Å²	88.2	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-40.6	173	-92.3	6	0	0	0	112.5	T35 R36 N42 A43	T35-H39 PolarHBondContact O-N 3.39Å; R36-H39 WeakPolarHBondContact O-CA 3.4Å; R36-H39 WeakPolarHBondContact O-CB 3.36Å; R36-H39 PolarHBondContact O-N 3.16Å; H39-N42 PolarHBondContact O-N 2.95Å; H39-A43 WeakPolarHBondContact O-CB 3.47Å; H39-A43 PolarHBondContact O-N 3.25Å
40	I	50.7	Low	44.3	Very low	43 Å²	43	88.3 Å²	88.3	22%	0.221	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-46.8	175.2	-63.7	171.2	0	0	0	110.2	R36 S37 N42 A43 A44 L150 T154	R36-I40 WeakPolarHBondContact O-CG1 3.43Å; R36-I40 PolarHBondContact O-N 3.37Å; S37-I40 PolarHBondContact O-N 3.2Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.84Å; I40-A43 PolarHBondContact O-N 3.21Å; I40-A44 WeakPolarHBondContact O-CB 3.41Å; I40-A44 PolarHBondContact O-N 2.79Å; I40-L150 HydrophobicContact CG2-CD1 4.1Å; I40-L150 HydrophobicContact CG2-CD2 4.36Å; I40-L150 HydrophobicContact CG2-CG 4.5Å; I40-T154 HydrophobicContact CD1-CG2 3.99Å; I40-T154 HydrophobicContact CG2-CG2 4.02Å
41	L	51.4	Low	45	Very low	33 Å²	33	85.7 Å²	85.7	17%	0.173	44%	0.441	C	S	.	.	H	α-helix	trans	-56.4	-44.9	174.8	-78.2	167.9	0	0	0	111.6	S37 L38 A45 Y65 V69 L150	S37-L41 WeakPolarHBondContact O-CB 3.45Å; S37-L41 WeakPolarHBondContact O-CG 3.25Å; S37-L41 PolarHBondContact O-N 2.95Å; L38-L41 PolarHBondContact O-N 3.39Å; L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 3.31Å; L41-Y65 PolarHBondContact O-OH 3Å; L41-V69 HydrophobicContact CD2-CB 4.31Å; L41-V69 HydrophobicContact CD2-CG1 3.4Å; L41-V69 HydrophobicContact CD2-CG2 3.91Å; L41-L150 HydrophobicContact CD1-CD2 4.29Å; L41-L150 HydrophobicContact CD2-CD2 3.26Å; L41-L150 HydrophobicContact CG-CD2 3.4Å; L41-L150 VanDerWaalsContact CG-CD2 3.4Å
42	N	54.8	Low	45.3	Very low	61 Å²	61	87 Å²	87	33%	0.326	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-39	177.7	-70	-15.2	0	0	0	112.1	L38 H39 I40 S46 Y65	L38-N42 WeakPolarHBondContact O-CB 3.44Å; L38-N42 PolarHBondContact O-N 3.42Å; L38-N42 PolarHBondContact O-ND2 3.4Å; L38-N42 PolarHBondContact O-OD1 3.48Å; H39-N42 PolarHBondContact O-N 2.95Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.84Å; N42-S46 VanDerWaalsContact O-CB 3.27Å; N42-S46 WeakPolarHBondContact O-CB 3.41Å; N42-S46 PolarHBondContact O-N 3.49Å; N42-Y65 WeakPolarHBondContact CA-OH 3.35Å; N42-Y65 PolarHBondContact OD1-OH 3.32Å
43	A	53.7	Low	45.5	Very low	64 Å²	64	89.2 Å²	89.2	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-45.5	177.9	0	0	0	0	0	111.7	H39 I40 S46 K47	H39-A43 WeakPolarHBondContact O-CB 3.47Å; H39-A43 PolarHBondContact O-N 3.25Å; I40-A43 PolarHBondContact O-N 3.21Å; A43-S46 WeakPolarHBondContact O-CB 3.29Å; A43-S46 PolarHBondContact O-N 2.92Å; A43-K47 PolarHBondContact O-N 2.99Å
44	A	52.8	Low	45.5	Very low	2 Å²	2	83.3 Å²	83.3	2%	0.017	45%	0.454	C	S	.	.	H	α-helix	trans	-56.6	-51.8	173.1	0	0	0	0	0	110	I40 S46 K47 Y48 Y72	I40-A44 WeakPolarHBondContact O-CB 3.41Å; I40-A44 PolarHBondContact O-N 2.79Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.6Å; A44-K47 WeakPolarHBondContact O-CB 3.32Å; A44-K47 PolarHBondContact O-N 3.47Å; A44-K47 VanDerWaalsContact O-N 3.09Å; A44-Y48 WeakPolarHBondContact O-CD2 3.14Å; A44-Y48 PolarHBondContact O-N 3.12Å; A44-Y72 HydrophobicContact CB-CD1 3.55Å; A44-Y72 HydrophobicContact CB-CD2 4.06Å; A44-Y72 HydrophobicContact CB-CE1 4.04Å; A44-Y72 HydrophobicContact CB-CE2 4.5Å; A44-Y72 HydrophobicContact CB-CG 3.56Å
45	A	53	Low	45.4	Very low	2 Å²	2	84.3 Å²	84.3	2%	0.017	47%	0.466	C	S	.	.	H	α-helix	trans	-65.9	-31.6	179.3	0	0	0	0	0	113.6	L41 K47 Y48 K49 Y65 V69	L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.44Å; L41-A45 PolarHBondContact O-N 3.31Å; A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.89Å; A45-Y48 PolarHBondContact O-N 3.41Å; A45-K49 WeakPolarHBondContact O-CB 3.5Å; A45-K49 PolarHBondContact O-N 2.97Å; A45-Y65 HydrophobicContact CB-CD1 4.15Å; A45-Y65 HydrophobicContact CB-CD2 3.42Å; A45-Y65 VanDerWaalsContact CB-CD2 3.42Å; A45-Y65 HydrophobicContact CB-CE1 3.81Å; A45-Y65 HydrophobicContact CB-CE2 3.04Å; A45-Y65 HydrophobicContact CB-CG 3.95Å; A45-V69 HydrophobicContact CB-CG2 4.38Å
46	S	52.4	Low	45.1	Very low	69 Å²	69	85.5 Å²	85.5	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-35.3	173.2	-173.2	0	0	0	0	112.1	N42 A43 A44 Y48 K49	N42-S46 VanDerWaalsContact O-CB 3.27Å; N42-S46 WeakPolarHBondContact O-CB 3.41Å; N42-S46 PolarHBondContact O-N 3.49Å; A43-S46 WeakPolarHBondContact O-CB 3.29Å; A43-S46 PolarHBondContact O-N 2.92Å; A44-S46 VanDerWaalsContact C-N 3.31Å; A44-S46 PolarHBondContact O-N 2.6Å; S46-Y48 VanDerWaalsContact C-N 3.33Å; S46-Y48 PolarHBondContact O-N 2.86Å; S46-K49 PolarHBondContact O-N 2.83Å
47	K	51.2	Low	45	Very low	142 Å²	142	79.3 Å²	79.3	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-64.8	-37.6	178.4	-159.7	179.2	-179.3	-174.3	0	111.6	A43 A44 A45	A43-K47 PolarHBondContact O-N 2.99Å; A44-K47 WeakPolarHBondContact O-CB 3.32Å; A44-K47 PolarHBondContact O-N 3.47Å; A44-K47 VanDerWaalsContact O-N 3.09Å; A45-K47 VanDerWaalsContact C-N 3.31Å; A45-K47 PolarHBondContact O-N 2.89Å
48	Y	46.6	Very low	45.1	Very low	51 Å²	51	87.1 Å²	87.1	20%	0.2	50%	0.497	C	S	.	.	H	α-helix	trans	-88.3	-19.3	178.9	-70.9	-93	0	0	0	114.1	A44 A45 S46 N50 I51 G68 D71 Y72 D75	A44-Y48 WeakPolarHBondContact O-CD2 3.14Å; A44-Y48 PolarHBondContact O-N 3.12Å; A45-Y48 PolarHBondContact O-N 3.41Å; S46-Y48 VanDerWaalsContact C-N 3.33Å; S46-Y48 PolarHBondContact O-N 2.86Å; Y48-N50 PolarHBondContact O-N 2.91Å; Y48-I51 HydrophobicContact CD1-CD1 4.15Å; Y48-I51 PolarHBondContact O-N 3.41Å; Y48-I51 VanDerWaalsContact O-N 3.12Å; Y48-G68 VanDerWaalsContact CD2-O 3.26Å; Y48-G68 WeakPolarHBondContact CD2-O 3.34Å; Y48-G68 VanDerWaalsContact CE2-O 3.28Å; Y48-G68 WeakPolarHBondContact CE2-O 3.46Å; Y48-D71 HydrophobicContact CD1-CB 4.47Å; Y48-D71 HydrophobicContact CE1-CB 3.72Å; Y48-Y72 HydrophobicContact CE2-CD2 4.35Å; Y48-D75 PolarHBondContact OH-OD2 3.5Å
49	K	45.8	Very low	44.5	Very low	119 Å²	119	89.1 Å²	89.1	52%	0.517	51%	0.508	S	S	.	.	H	α-helix	trans	-60.1	-27.7	172.8	-117.3	-179.1	-179.4	179.2	0	113.4	A45 S46 I51	A45-K49 WeakPolarHBondContact O-CB 3.5Å; A45-K49 PolarHBondContact O-N 2.97Å; S46-K49 PolarHBondContact O-N 2.83Å; K49-I51 PolarHBondContact O-N 3.44Å
50	N	41.2	Very low	43.9	Very low	143 Å²	143	90.5 Å²	90.5	77%	0.765	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.1	179.2	-71.8	-15.5	0	0	0	113.7	Y48	Y48-N50 PolarHBondContact O-N 2.91Å
51	I	42.5	Very low	43.5	Very low	127 Å²	127	92.5 Å²	92.5	65%	0.651	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-17.3	-176.6	-60.9	175.8	0	0	0	112.3	Y48 K49	Y48-I51 HydrophobicContact CD1-CD1 4.15Å; Y48-I51 PolarHBondContact O-N 3.41Å; Y48-I51 VanDerWaalsContact O-N 3.12Å; K49-I51 PolarHBondContact O-N 3.44Å
52	E	34.7	Very low	43.2	Very low	153 Å²	153	95 Å²	95	72%	0.715	53%	0.533	S	S	*	.			trans	-144.5	89.5	177.9	-70.8	-172.7	162	0	0	112.2
53	C	31.1	Very low	42.9	Very low	142 Å²	142	97 Å²	97	96%	0.959	54%	0.544	S	S	*	.			trans	-108.5	83.2	161.7	-114	0	0	0	0	109.8
54	G	32.9	Very low	42.5	Very low	74 Å²	74	96.1 Å²	96.1	76%	0.763	53%	0.534	S	S	*	.			trans	-169.3	55.7	174.8	0	0	0	0	0	113.8
55	A	35.7	Very low	42.5	Very low	64 Å²	64	99.5 Å²	99.5	53%	0.529	55%	0.547	S	S	.	.			trans	-177.3	143.5	152.3	0	0	0	0	0	113.6	K60	A55-K60 HydrophobicContact CB-CD 4.25Å
56	T	34.9	Very low	42.6	Very low	140 Å²	140	104.4 Å²	104.4	86%	0.859	57%	0.57	S	S	*	*			trans	-73	137.3	177.9	44.2	0	0	0	0	112.9
57	G	38.4	Very low	43	Very low	40 Å²	40	105.2 Å²	105.2	41%	0.412	57%	0.567	S	S	.	*			trans	134.8	120.5	166.6	0	0	0	0	0	114.6	N59 K60 I61	G57-N59 PolarHBondContact O-N 2.88Å; G57-N59 VanDerWaalsContact O-N 3.12Å; G57-K60 PolarHBondContact O-N 2.89Å; G57-I61 PolarHBondContact O-N 3.32Å
58	K	42.6	Very low	43.9	Very low	167 Å²	167	98.6 Å²	98.6	73%	0.726	54%	0.538	S	S	*	.	H	α-helix	trans	-52.8	-33.7	-179.1	-78.6	-178.3	174.8	179.7	0	114.1	Q62	K58-Q62 PolarHBondContact O-N 2.89Å
59	N	38.4	Very low	45	Very low	130 Å²	130	96.3 Å²	96.3	70%	0.695	53%	0.53	S	S	*	.	H	α-helix	trans	-72.2	-33.3	177.7	-76.5	-6.2	0	0	0	113.7	G57 N63	G57-N59 PolarHBondContact O-N 2.88Å; G57-N59 VanDerWaalsContact O-N 3.12Å; N59-N63 PolarHBondContact O-N 3.27Å
60	K	38.2	Very low	46.6	Very low	135 Å²	135	91.7 Å²	91.7	59%	0.587	51%	0.509	S	S	*	.	H	α-helix	trans	-68.1	-37.3	175.4	-85.7	-172.9	172.6	-174.4	0	111.4	A55 G57 N63 S64	A55-K60 HydrophobicContact CB-CD 4.25Å; G57-K60 PolarHBondContact O-N 2.89Å; K60-N63 PolarHBondContact O-N 3.06Å; K60-S64 PolarHBondContact O-N 3.13Å; K60-S64 PolarHBondContact O-OG 2.76Å
61	I	42	Very low	48.3	Very low	85 Å²	85	85.7 Å²	85.7	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-67.2	-38.2	179.3	-60	170.9	0	0	0	111.5	G57 S64 Y65	G57-I61 PolarHBondContact O-N 3.32Å; I61-S64 PolarHBondContact O-OG 3.08Å; I61-Y65 WeakPolarHBondContact O-CB 3.09Å; I61-Y65 PolarHBondContact O-N 3.5Å
62	Q	45.2	Very low	49.8	Very low	84 Å²	84	82.4 Å²	82.4	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-67.8	-40.7	175.3	-100.2	-178.9	-18.4	0	0	112.5	W22 K58 Y65 Q66	W22-Q62 VanDerWaalsContact CZ2-NE2 3.34Å; W22-Q62 VanDerWaalsContact NE1-NE2 3.11Å; K58-Q62 PolarHBondContact O-N 2.89Å; Q62-Y65 PolarHBondContact O-N 2.96Å; Q62-Q66 PolarHBondContact O-N 3.46Å
63	N	48	Very low	51.7	Low	103 Å²	103	75.2 Å²	75.2	55%	0.551	42%	0.424	S	S	*	.	H	α-helix	trans	-66.1	-45.4	175.5	-82.5	-5	0	0	0	111.6	N59 K60 Y65 Q66 M67	N59-N63 PolarHBondContact O-N 3.27Å; K60-N63 PolarHBondContact O-N 3.06Å; N63-Y65 VanDerWaalsContact C-N 3.29Å; N63-Y65 PolarHBondContact O-N 3.04Å; N63-Q66 PolarHBondContact O-N 2.86Å; N63-M67 WeakPolarHBondContact O-CB 3.34Å; N63-M67 VanDerWaalsContact O-CG 3.26Å; N63-M67 WeakPolarHBondContact O-CG 3.44Å; N63-M67 PolarHBondContact O-N 3.2Å
64	S	44.9	Very low	54.2	Low	47 Å²	47	68.4 Å²	68.4	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-63.8	-36.4	177.2	69.5	0	0	0	0	112.2	K60 I61 M67 G68	K60-S64 PolarHBondContact O-N 3.13Å; K60-S64 PolarHBondContact O-OG 2.76Å; I61-S64 PolarHBondContact O-OG 3.08Å; S64-M67 PolarHBondContact O-N 3.1Å; S64-G68 PolarHBondContact O-N 3Å
65	Y	52.1	Low	56.5	Low	73 Å²	73	67.3 Å²	67.3	29%	0.286	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-48.3	174.6	-170.8	-82.2	0	0	0	112.2	L41 N42 A45 I61 Q62 N63 V69	L41-Y65 PolarHBondContact O-OH 3Å; N42-Y65 WeakPolarHBondContact CA-OH 3.35Å; N42-Y65 PolarHBondContact OD1-OH 3.32Å; A45-Y65 HydrophobicContact CB-CD1 4.15Å; A45-Y65 HydrophobicContact CB-CD2 3.42Å; A45-Y65 VanDerWaalsContact CB-CD2 3.42Å; A45-Y65 HydrophobicContact CB-CE1 3.81Å; A45-Y65 HydrophobicContact CB-CE2 3.04Å; A45-Y65 HydrophobicContact CB-CG 3.95Å; I61-Y65 WeakPolarHBondContact O-CB 3.09Å; I61-Y65 PolarHBondContact O-N 3.5Å; Q62-Y65 PolarHBondContact O-N 2.96Å; N63-Y65 VanDerWaalsContact C-N 3.29Å; N63-Y65 PolarHBondContact O-N 3.04Å; Y65-V69 HydrophobicContact CE1-CG2 4.44Å; Y65-V69 PolarHBondContact O-N 3.06Å
66	Q	57	Low	58.3	Low	105 Å²	105	68 Å²	68	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-43.2	176.8	-80.4	-172.3	-16	0	0	111.6	Q62 N63 G68 V69 Y70	Q62-Q66 PolarHBondContact O-N 3.46Å; N63-Q66 PolarHBondContact O-N 2.86Å; Q66-G68 VanDerWaalsContact C-N 3.32Å; Q66-G68 PolarHBondContact O-N 3.35Å; Q66-V69 PolarHBondContact O-N 3.23Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; Q66-Y70 HydrophobicContact CB-CE2 4.19Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.23Å; Q66-Y70 PolarHBondContact O-N 3.26Å; Q66-Y70 VanDerWaalsContact O-N 3.14Å
67	M	59.1	Low	60.2	Low	86 Å²	86	62 Å²	62	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-56.1	-45.1	177.7	-75.8	-169.5	74.7	0	0	112.1	N63 S64 V69 Y70 D71 R139	N63-M67 WeakPolarHBondContact O-CB 3.34Å; N63-M67 VanDerWaalsContact O-CG 3.26Å; N63-M67 WeakPolarHBondContact O-CG 3.44Å; N63-M67 PolarHBondContact O-N 3.2Å; S64-M67 PolarHBondContact O-N 3.1Å; M67-V69 VanDerWaalsContact C-N 3.27Å; M67-V69 PolarHBondContact O-N 3.42Å; M67-Y70 PolarHBondContact O-N 3.46Å; M67-D71 VanDerWaalsContact O-CG 3.29Å; M67-D71 PolarHBondContact O-N 3.44Å; M67-R139 VanDerWaalsContact CE-CZ 3.45Å; M67-R139 VanDerWaalsContact CE-NH1 3.26Å
68	G	71.4	Confident	62.3	Low	2 Å²	2	62.2 Å²	62.2	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-30.7	177.2	0	0	0	0	0	114.1	Y48 S64 Q66 Y72	Y48-G68 VanDerWaalsContact CD2-O 3.26Å; Y48-G68 WeakPolarHBondContact CD2-O 3.34Å; Y48-G68 VanDerWaalsContact CE2-O 3.28Å; Y48-G68 WeakPolarHBondContact CE2-O 3.46Å; S64-G68 PolarHBondContact O-N 3Å; Q66-G68 VanDerWaalsContact C-N 3.32Å; Q66-G68 PolarHBondContact O-N 3.35Å; G68-Y72 VanDerWaalsContact O-CB 3.25Å; G68-Y72 WeakPolarHBondContact O-CB 3.14Å; G68-Y72 PolarHBondContact O-N 3.18Å
69	V	68.9	Low	63.7	Low	4 Å²	4	58.8 Å²	58.8	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-75	-41.3	176.3	179.6	0	0	0	0	111.4	L41 A45 Y65 Q66 M67 D71 Y72 V73 L146	L41-V69 HydrophobicContact CD2-CB 4.31Å; L41-V69 HydrophobicContact CD2-CG1 3.4Å; L41-V69 HydrophobicContact CD2-CG2 3.91Å; A45-V69 HydrophobicContact CB-CG2 4.38Å; Y65-V69 HydrophobicContact CE1-CG2 4.44Å; Y65-V69 PolarHBondContact O-N 3.06Å; Q66-V69 PolarHBondContact O-N 3.23Å; Q66-V69 VanDerWaalsContact O-N 3.08Å; M67-V69 VanDerWaalsContact C-N 3.27Å; M67-V69 PolarHBondContact O-N 3.42Å; V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 3.03Å; V69-Y72 PolarHBondContact O-N 3.44Å; V69-V73 WeakPolarHBondContact O-CG2 3.18Å; V69-V73 PolarHBondContact O-N 3.16Å; V69-L146 HydrophobicContact CB-CD2 4.16Å; V69-L146 HydrophobicContact CG1-CD1 4.4Å; V69-L146 HydrophobicContact CG1-CD2 3.7Å; V69-L146 HydrophobicContact CG1-CG 4.18Å
70	Y	79.2	Confident	65.1	Low	21 Å²	21	60.2 Å²	60.2	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-44.8	174.1	-70.5	-78.2	0	0	0	111.1	Q66 M67 Y72 V73 F74 R139 A142 K143 L146	Q66-Y70 HydrophobicContact CB-CE2 4.19Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.23Å; Q66-Y70 PolarHBondContact O-N 3.26Å; Q66-Y70 VanDerWaalsContact O-N 3.14Å; M67-Y70 PolarHBondContact O-N 3.46Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 3.25Å; Y70-V73 PolarHBondContact O-N 3.39Å; Y70-F74 WeakPolarHBondContact O-CB 3.29Å; Y70-F74 PolarHBondContact O-N 3Å; Y70-R139 HydrophobicContact CD1-CG 4.31Å; Y70-R139 HydrophobicContact CG-CG 3.95Å; Y70-A142 HydrophobicContact CD1-CB 4.27Å; Y70-A142 HydrophobicContact CE1-CB 4.21Å; Y70-K143 WeakPolarHBondContact OH-CA 3.21Å; Y70-K143 PolarHBondContact OH-O 3.15Å; Y70-K143 VanDerWaalsContact OH-O 3.13Å; Y70-L146 HydrophobicContact CD1-CD1 3.59Å; Y70-L146 HydrophobicContact CD1-CD2 3.96Å; Y70-L146 HydrophobicContact CD1-CG 4.24Å; Y70-L146 HydrophobicContact CD2-CD2 4.19Å; Y70-L146 HydrophobicContact CE1-CB 3.94Å; Y70-L146 HydrophobicContact CE1-CD1 3.77Å; Y70-L146 HydrophobicContact CE1-CD2 3.67Å; Y70-L146 HydrophobicContact CE1-CG 3.99Å; Y70-L146 HydrophobicContact CE2-CD2 3.91Å; Y70-L146 HydrophobicContact CG-CD1 4.26Å; Y70-L146 HydrophobicContact CG-CD2 4.18Å
71	D	77.9	Confident	66.8	Low	18 Å²	18	61.9 Å²	61.9	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-41.2	179.1	-69.2	-23.9	0	0	0	111.2	Y48 M67 V69 F74 D75 R135 R139	Y48-D71 HydrophobicContact CD1-CB 4.47Å; Y48-D71 HydrophobicContact CE1-CB 3.72Å; M67-D71 VanDerWaalsContact O-CG 3.29Å; M67-D71 PolarHBondContact O-N 3.44Å; V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 3.03Å; D71-F74 WeakPolarHBondContact O-CB 3.21Å; D71-F74 PolarHBondContact O-N 2.71Å; D71-D75 VanDerWaalsContact O-CB 3.29Å; D71-D75 WeakPolarHBondContact O-CB 3.13Å; D71-D75 VanDerWaalsContact O-CG 3.24Å; D71-D75 PolarHBondContact O-N 2.66Å; D71-D75 VanDerWaalsContact O-OD2 3.04Å; D71-R135 WeakPolarHBondContact OD1-CD 3.45Å; D71-R135 IonicContact OD1-NH1 3.92Å; D71-R139 IonicContact OD1-CZ 3.73Å; D71-R139 VanDerWaalsContact OD1-CZ 3.3Å; D71-R139 IonicContact OD1-NE 2.75Å; D71-R139 PolarHBondContact OD1-NE 3.17Å; D71-R139 VanDerWaalsContact OD1-NE 3.13Å; D71-R139 IonicContact OD1-NH2 2.81Å; D71-R139 PolarHBondContact OD1-NH2 3.41Å; D71-R139 IonicContact OD2-CZ 3.89Å; D71-R139 IonicContact OD2-NH2 3.93Å; D71-R139 PolarHBondContact OD2-NH2 3.19Å
72	Y	73.4	Confident	68.2	Low	58 Å²	58	59.7 Å²	59.7	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-48.1	173.9	-175	-104.4	0	0	0	112.4	A44 Y48 G68 V69 Y70 F74 D75 L76 L150	A44-Y72 HydrophobicContact CB-CD1 3.55Å; A44-Y72 HydrophobicContact CB-CD2 4.06Å; A44-Y72 HydrophobicContact CB-CE1 4.04Å; A44-Y72 HydrophobicContact CB-CE2 4.5Å; A44-Y72 HydrophobicContact CB-CG 3.56Å; Y48-Y72 HydrophobicContact CE2-CD2 4.35Å; G68-Y72 VanDerWaalsContact O-CB 3.25Å; G68-Y72 WeakPolarHBondContact O-CB 3.14Å; G68-Y72 PolarHBondContact O-N 3.18Å; V69-Y72 PolarHBondContact O-N 3.44Å; Y70-Y72 VanDerWaalsContact C-N 3.33Å; Y70-Y72 PolarHBondContact O-N 3.25Å; Y72-F74 VanDerWaalsContact C-N 3.29Å; Y72-F74 PolarHBondContact O-N 2.92Å; Y72-D75 PolarHBondContact O-N 2.92Å; Y72-L76 HydrophobicContact CD1-CD1 3.86Å; Y72-L76 HydrophobicContact CD1-CG 4.42Å; Y72-L76 HydrophobicContact CE1-CD1 3.4Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.4Å; Y72-L76 HydrophobicContact CE1-CG 4.11Å; Y72-L76 WeakPolarHBondContact O-CG 3.46Å; Y72-L76 PolarHBondContact O-N 2.97Å; Y72-L150 HydrophobicContact CD1-CD1 4.38Å; Y72-L150 HydrophobicContact CE1-CD1 4.48Å
73	V	74.7	Confident	70.2	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-38.7	177.6	177.2	0	0	0	0	110.4	V69 Y70 L76 V77 F138 L146 L150 M153	V69-V73 WeakPolarHBondContact O-CG2 3.18Å; V69-V73 PolarHBondContact O-N 3.16Å; Y70-V73 PolarHBondContact O-N 3.39Å; V73-L76 PolarHBondContact O-N 2.87Å; V73-V77 WeakPolarHBondContact O-CG2 3.22Å; V73-V77 PolarHBondContact O-N 3.11Å; V73-F138 HydrophobicContact CB-CE1 4.25Å; V73-F138 HydrophobicContact CB-CZ 4.37Å; V73-F138 HydrophobicContact CG1-CE1 4.04Å; V73-F138 HydrophobicContact CG1-CZ 3.67Å; V73-L146 HydrophobicContact CB-CD1 4.37Å; V73-L146 HydrophobicContact CG2-CD1 3.98Å; V73-L150 HydrophobicContact CG2-CB 4.13Å; V73-L150 HydrophobicContact CG2-CD1 3.69Å; V73-L150 HydrophobicContact CG2-CG 4.49Å; V73-M153 HydrophobicContact CG1-CG 4.07Å
74	F	84.4	Confident	72.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-48.5	176.5	-177	-88.8	0	0	0	111.4	Y70 D71 Y72 L76 V77 K78 E83 I85 R135 F138	Y70-F74 WeakPolarHBondContact O-CB 3.29Å; Y70-F74 PolarHBondContact O-N 3Å; D71-F74 WeakPolarHBondContact O-CB 3.21Å; D71-F74 PolarHBondContact O-N 2.71Å; Y72-F74 VanDerWaalsContact C-N 3.29Å; Y72-F74 PolarHBondContact O-N 2.92Å; F74-L76 PolarHBondContact O-N 2.82Å; F74-V77 PolarHBondContact O-N 2.95Å; F74-K78 HydrophobicContact CD1-CB 4.31Å; F74-K78 HydrophobicContact CD1-CD 4.1Å; F74-K78 HydrophobicContact CE1-CB 3.95Å; F74-K78 HydrophobicContact CE1-CD 3.85Å; F74-K78 HydrophobicContact CE1-CG 4.5Å; F74-K78 HydrophobicContact CZ-CB 4.37Å; F74-K78 WeakPolarHBondContact O-CB 3.4Å; F74-K78 PolarHBondContact O-N 3.02Å; F74-E83 WeakPolarHBondContact CZ-O 3.37Å; F74-I85 HydrophobicContact CB-CD1 4.41Å; F74-I85 HydrophobicContact CD2-CD1 3.28Å; F74-I85 HydrophobicContact CD2-CG1 3.86Å; F74-I85 HydrophobicContact CE2-CB 4.44Å; F74-I85 HydrophobicContact CE2-CD1 3.61Å; F74-I85 HydrophobicContact CE2-CG1 3.69Å; F74-I85 HydrophobicContact CG-CD1 3.99Å; F74-I85 HydrophobicContact CZ-CG1 4.26Å; F74-R135 HydrophobicContact CD1-CB 4.32Å; F74-R135 HydrophobicContact CD1-CG 4.19Å; F74-R135 HydrophobicContact CD2-CB 4.33Å; F74-R135 HydrophobicContact CD2-CG 4.46Å; F74-R135 HydrophobicContact CE1-CB 4.11Å; F74-R135 HydrophobicContact CE1-CG 4.45Å; F74-R135 VanDerWaalsContact CE2-CA 3.46Å; F74-R135 HydrophobicContact CE2-CB 4.14Å; F74-R135 HydrophobicContact CG-CB 4.43Å; F74-R135 HydrophobicContact CG-CG 4.19Å; F74-R135 HydrophobicContact CZ-CB 4.02Å; F74-F138 HydrophobicContact CB-CD1 3.98Å; F74-F138 HydrophobicContact CB-CE1 4.25Å; F74-F138 HydrophobicContact CD2-CB 3.69Å; F74-F138 AromaticContact CD2-CD1 3.9Å; F74-F138 HydrophobicContact CD2-CD1 3.9Å; F74-F138 AromaticContact CD2-CG 3.83Å; F74-F138 HydrophobicContact CD2-CG 3.83Å; F74-F138 HydrophobicContact CE2-CB 4.08Å; F74-F138 HydrophobicContact CG-CD1 4.46Å
75	D	80.6	Confident	74.1	Confident	50 Å²	50	56.6 Å²	56.6	27%	0.267	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-21.5	179.9	-72.2	-43	0	0	0	112.7	Y48 D71 Y72 K78 R135	Y48-D75 PolarHBondContact OH-OD2 3.5Å; D71-D75 VanDerWaalsContact O-CB 3.29Å; D71-D75 WeakPolarHBondContact O-CB 3.13Å; D71-D75 VanDerWaalsContact O-CG 3.24Å; D71-D75 PolarHBondContact O-N 2.66Å; D71-D75 VanDerWaalsContact O-OD2 3.04Å; Y72-D75 PolarHBondContact O-N 2.92Å; D75-K78 WeakPolarHBondContact OD1-CE 3.29Å; D75-K78 IonicContact OD1-NZ 2.67Å; D75-K78 PolarHBondContact OD1-NZ 3.03Å; D75-R135 IonicContact OD1-CZ 3.66Å; D75-R135 IonicContact OD1-NH1 3.51Å; D75-R135 IonicContact OD1-NH2 2.81Å; D75-R135 PolarHBondContact OD1-NH2 3.5Å; D75-R135 IonicContact OD2-CZ 2.73Å; D75-R135 IonicContact OD2-NH1 3.52Å; D75-R135 PolarHBondContact OD2-NH1 2.78Å; D75-R135 IonicContact OD2-NH2 3.51Å
76	L	73.9	Confident	75.7	Confident	79 Å²	79	53.9 Å²	53.9	41%	0.414	27%	0.27	S	S	.	.	H	α-helix	trans	-77.4	-21.3	172	-75.9	177.2	0	0	0	114	Y72 V73 F74 M153	Y72-L76 HydrophobicContact CD1-CD1 3.86Å; Y72-L76 HydrophobicContact CD1-CG 4.42Å; Y72-L76 HydrophobicContact CE1-CD1 3.4Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.4Å; Y72-L76 HydrophobicContact CE1-CG 4.11Å; Y72-L76 WeakPolarHBondContact O-CG 3.46Å; Y72-L76 PolarHBondContact O-N 2.97Å; V73-L76 PolarHBondContact O-N 2.87Å; F74-L76 PolarHBondContact O-N 2.82Å; L76-M153 HydrophobicContact CD1-CB 4.15Å
77	V	74.4	Confident	77.1	Confident	13 Å²	13	49.1 Å²	49.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-113.2	-27.8	-170.7	-178	0	0	0	0	112.5	V73 F74 I85 L90 L93 M153	V73-V77 WeakPolarHBondContact O-CG2 3.22Å; V73-V77 PolarHBondContact O-N 3.11Å; F74-V77 PolarHBondContact O-N 2.95Å; V77-I85 HydrophobicContact CB-CD1 3.92Å; V77-I85 HydrophobicContact CB-CG1 4.1Å; V77-I85 HydrophobicContact CG1-CB 4.46Å; V77-I85 HydrophobicContact CG1-CD1 4.06Å; V77-I85 HydrophobicContact CG1-CG1 4Å; V77-I85 HydrophobicContact CG1-CG2 3.69Å; V77-L90 HydrophobicContact CG1-CB 4.35Å; V77-L90 HydrophobicContact CG1-CD1 4.22Å; V77-L93 HydrophobicContact CG1-CD1 4.22Å; V77-L93 HydrophobicContact CG2-CD1 4.49Å; V77-M153 HydrophobicContact CG2-CE 4.23Å; V77-M153 HydrophobicContact CG2-CG 3.7Å; V77-M153 HydrophobicContact CG2-SD 3.26Å; V77-M153 WeakPolarHBondContact CG2-SD 3.47Å
78	K	81.5	Confident	78.3	Confident	45 Å²	45	52.2 Å²	52.2	20%	0.196	26%	0.256	C	S	.	.	S	Bend	trans	-57.8	148.4	-179.9	75.2	-179.6	-169.9	-173.2	0	110.6	F74 D75 E83 I85	F74-K78 HydrophobicContact CD1-CB 4.31Å; F74-K78 HydrophobicContact CD1-CD 4.1Å; F74-K78 HydrophobicContact CE1-CB 3.95Å; F74-K78 HydrophobicContact CE1-CD 3.85Å; F74-K78 HydrophobicContact CE1-CG 4.5Å; F74-K78 HydrophobicContact CZ-CB 4.37Å; F74-K78 WeakPolarHBondContact O-CB 3.4Å; F74-K78 PolarHBondContact O-N 3.02Å; D75-K78 WeakPolarHBondContact OD1-CE 3.29Å; D75-K78 IonicContact OD1-NZ 2.67Å; D75-K78 PolarHBondContact OD1-NZ 3.03Å; K78-E83 IonicContact NZ-OE1 3.44Å; K78-E83 PolarHBondContact NZ-OE1 3.01Å; K78-E83 IonicContact NZ-OE2 2.73Å; K78-I85 HydrophobicContact CB-CG1 4.25Å
79	K	72	Confident	78.9	Confident	96 Å²	96	54.4 Å²	54.4	42%	0.417	27%	0.267	S	S	.	.			trans	-68.2	141.8	170.2	-64.5	179.8	174.5	169.5	0	108.7	D81 S82 D86 D89	K79-D81 PolarHBondContact O-N 3.43Å; K79-S82 WeakPolarHBondContact CB-OG 3.33Å; K79-S82 PolarHBondContact O-N 2.61Å; K79-D86 IonicContact NZ-OD2 2.95Å; K79-D89 WeakPolarHBondContact CE-OD2 3.04Å; K79-D89 IonicContact NZ-OD2 2.72Å; K79-D89 PolarHBondContact NZ-OD2 3.29Å; K79-D89 VanDerWaalsContact NZ-OD2 3.14Å
80	D	68.7	Low	79.8	Confident	160 Å²	160	54.3 Å²	54.3	86%	0.856	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-34.5	-173.4	-68.1	-37	0	0	0	113.1
81	D	72.8	Confident	80.2	Confident	169 Å²	169	55.3 Å²	55.3	90%	0.904	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-6.1	-177.7	-61.5	-33.3	0	0	0	114.8	K79	K79-D81 PolarHBondContact O-N 3.43Å
82	S	72.8	Confident	80.7	Confident	40 Å²	40	59 Å²	59	28%	0.28	29%	0.289	S	S	.	.			trans	-122	127.5	178.5	73.5	0	0	0	0	112	K79 M84	K79-S82 WeakPolarHBondContact CB-OG 3.33Å; K79-S82 PolarHBondContact O-N 2.61Å; S82-M84 PolarHBondContact O-N 3.35Å; S82-M84 PolarHBondContact OG-O 3.01Å; S82-M84 VanDerWaalsContact OG-O 3.11Å
83	E	86.6	Confident	81.4	Confident	103 Å²	103	59.5 Å²	59.5	48%	0.481	30%	0.296	S	S	.	.	S	Bend	trans	-70.2	40	166.1	-74.9	-65.4	139.3	0	0	112	F74 K78 R135	F74-E83 WeakPolarHBondContact CZ-O 3.37Å; K78-E83 IonicContact NZ-OE1 3.44Å; K78-E83 PolarHBondContact NZ-OE1 3.01Å; K78-E83 IonicContact NZ-OE2 2.73Å; E83-R135 IonicContact OE1-NH2 4Å; E83-R135 IonicContact OE2-CZ 3.97Å; E83-R135 IonicContact OE2-NE 3.64Å; E83-R135 IonicContact OE2-NH2 3.23Å; E83-R135 PolarHBondContact OE2-NH2 3.21Å
84	M	88	Confident	82.3	Confident	65 Å²	65	59.4 Å²	59.4	32%	0.32	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	140.4	-175.5	-54	-65	-88.8	0	0	108.8	S82 L133 D134	S82-M84 PolarHBondContact O-N 3.35Å; S82-M84 PolarHBondContact OG-O 3.01Å; S82-M84 VanDerWaalsContact OG-O 3.11Å; M84-L133 CarbonylContact C-O 3.51Å; M84-L133 WeakPolarHBondContact CA-O 3.35Å; M84-D134 HydrophobicContact CE-CB 4.12Å; M84-D134 VanDerWaalsContact SD-CA 3.59Å; M84-D134 HydrophobicContact SD-CB 3.56Å; M84-D134 VanDerWaalsContact SD-CB 3.56Å
85	I	86.6	Confident	82.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.3	168.9	-70.6	170.2	0	0	0	109	F74 V77 K78 L90 T132 L133 F138	F74-I85 HydrophobicContact CB-CD1 4.41Å; F74-I85 HydrophobicContact CD2-CD1 3.28Å; F74-I85 HydrophobicContact CD2-CG1 3.86Å; F74-I85 HydrophobicContact CE2-CB 4.44Å; F74-I85 HydrophobicContact CE2-CD1 3.61Å; F74-I85 HydrophobicContact CE2-CG1 3.69Å; F74-I85 HydrophobicContact CG-CD1 3.99Å; F74-I85 HydrophobicContact CZ-CG1 4.26Å; V77-I85 HydrophobicContact CB-CD1 3.92Å; V77-I85 HydrophobicContact CB-CG1 4.1Å; V77-I85 HydrophobicContact CG1-CB 4.46Å; V77-I85 HydrophobicContact CG1-CD1 4.06Å; V77-I85 HydrophobicContact CG1-CG1 4Å; V77-I85 HydrophobicContact CG1-CG2 3.69Å; K78-I85 HydrophobicContact CB-CG1 4.25Å; I85-L90 HydrophobicContact CG2-CB 4.27Å; I85-T132 CarbonylContact O-C 3.57Å; I85-T132 WeakPolarHBondContact O-CA 3.45Å; I85-L133 HydrophobicContact CB-CB 4.45Å; I85-L133 PolarHBondContact N-O 3.25Å; I85-L133 PolarHBondContact O-N 3.26Å; I85-F138 HydrophobicContact CD1-CD2 3.7Å; I85-F138 HydrophobicContact CD1-CE2 3.99Å; I85-F138 HydrophobicContact CD1-CG 4Å
86	D	86.8	Confident	83.2	Confident	17 Å²	17	65.5 Å²	65.5	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.2	164.7	-161.9	-48.1	0	0	0	109.6	K79 Y88 D89 L90 S130	K79-D86 IonicContact NZ-OD2 2.95Å; D86-Y88 PolarHBondContact O-N 2.89Å; D86-Y88 WeakPolarHBondContact OD1-CB 3.36Å; D86-Y88 PolarHBondContact OD1-N 2.96Å; D86-D89 HydrophobicContact CB-CB 4.24Å; D86-D89 WeakPolarHBondContact CB-OD2 3.29Å; D86-D89 PolarHBondContact O-N 2.76Å; D86-L90 PolarHBondContact O-N 3.1Å; D86-L90 VanDerWaalsContact O-N 3.12Å; D86-S130 VanDerWaalsContact OD1-CB 3.32Å; D86-S130 WeakPolarHBondContact OD1-CB 3.38Å; D86-S130 WeakPolarHBondContact OD2-CB 3.39Å; D86-S130 PolarHBondContact OD2-OG 2.81Å
87	I	85.5	Confident	84.1	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-28.9	179.6	-79.2	158.5	0	0	0	112.3	D89 L90 I91 L113 L131 L133	I87-D89 VanDerWaalsContact C-N 3.33Å; I87-L90 PolarHBondContact O-N 3.24Å; I87-I91 HydrophobicContact CG2-CD1 3.59Å; I87-I91 HydrophobicContact CG2-CG1 4.13Å; I87-I91 WeakPolarHBondContact O-CB 3Å; I87-I91 VanDerWaalsContact O-CG1 3.27Å; I87-I91 WeakPolarHBondContact O-CG1 3.17Å; I87-I91 PolarHBondContact O-N 3.37Å; I87-L113 HydrophobicContact CD1-CD2 3.52Å; I87-L113 HydrophobicContact CG1-CD2 4.06Å; I87-L113 HydrophobicContact CG2-CD1 4.41Å; I87-L131 HydrophobicContact CB-CB 4.47Å; I87-L131 WeakPolarHBondContact CB-O 3.31Å; I87-L131 HydrophobicContact CD1-CB 3.55Å; I87-L131 HydrophobicContact CD1-CD2 3.1Å; I87-L131 HydrophobicContact CD1-CG 3.27Å; I87-L131 WeakPolarHBondContact CD1-O 3.4Å; I87-L131 WeakPolarHBondContact CG1-O 3.44Å; I87-L131 PolarHBondContact N-O 3.47Å; I87-L133 HydrophobicContact CD1-CD1 3.83Å; I87-L133 HydrophobicContact CD1-CD2 3.86Å; I87-L133 HydrophobicContact CD1-CG 3.66Å; I87-L133 HydrophobicContact CG1-CD1 3.81Å; I87-L133 HydrophobicContact CG1-CG 3.93Å
88	Y	84.6	Confident	85.1	Confident	151 Å²	151	61.5 Å²	61.5	59%	0.592	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-43.8	175.2	-75	-79	0	0	0	111	D86 L90 I91 E92	D86-Y88 PolarHBondContact O-N 2.89Å; D86-Y88 WeakPolarHBondContact OD1-CB 3.36Å; D86-Y88 PolarHBondContact OD1-N 2.96Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 3.45Å; Y88-I91 PolarHBondContact O-N 3.07Å; Y88-E92 WeakPolarHBondContact O-CB 3.11Å; Y88-E92 PolarHBondContact O-N 3.2Å
89	D	84.6	Confident	85.8	Confident	48 Å²	48	59.4 Å²	59.4	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-39.3	178	-60.2	-16.5	0	0	0	110.8	K79 D86 I87 E92 L93	K79-D89 WeakPolarHBondContact CE-OD2 3.04Å; K79-D89 IonicContact NZ-OD2 2.72Å; K79-D89 PolarHBondContact NZ-OD2 3.29Å; K79-D89 VanDerWaalsContact NZ-OD2 3.14Å; D86-D89 HydrophobicContact CB-CB 4.24Å; D86-D89 WeakPolarHBondContact CB-OD2 3.29Å; D86-D89 PolarHBondContact O-N 2.76Å; I87-D89 VanDerWaalsContact C-N 3.33Å; D89-E92 PolarHBondContact O-N 3.03Å; D89-L93 WeakPolarHBondContact O-CG 3.48Å; D89-L93 PolarHBondContact O-N 2.88Å
90	L	86	Confident	86.8	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174	179.5	57.1	0	0	0	111.8	V77 I85 D86 I87 Y88 E92 L93 M94 F109 F138 M153	V77-L90 HydrophobicContact CG1-CB 4.35Å; V77-L90 HydrophobicContact CG1-CD1 4.22Å; I85-L90 HydrophobicContact CG2-CB 4.27Å; D86-L90 PolarHBondContact O-N 3.1Å; D86-L90 VanDerWaalsContact O-N 3.12Å; I87-L90 PolarHBondContact O-N 3.24Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 3.45Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.03Å; L90-L93 PolarHBondContact O-N 3.33Å; L90-M94 HydrophobicContact CG-SD 4.43Å; L90-M94 WeakPolarHBondContact O-CG 3.23Å; L90-M94 PolarHBondContact O-N 3.44Å; L90-F109 HydrophobicContact CD2-CE1 4.44Å; L90-F109 HydrophobicContact CD2-CZ 3.68Å; L90-F138 HydrophobicContact CD2-CE2 4.43Å; L90-M153 HydrophobicContact CD1-CE 3.3Å; L90-M153 HydrophobicContact CD1-SD 4.4Å
91	I	88.6	Confident	87.9	Confident	43 Å²	43	51 Å²	51	22%	0.221	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-37.6	177	-69.7	168.9	0	0	0	110.8	I87 Y88 M94 N95 L101	I87-I91 HydrophobicContact CG2-CD1 3.59Å; I87-I91 HydrophobicContact CG2-CG1 4.13Å; I87-I91 WeakPolarHBondContact O-CB 3Å; I87-I91 VanDerWaalsContact O-CG1 3.27Å; I87-I91 WeakPolarHBondContact O-CG1 3.17Å; I87-I91 PolarHBondContact O-N 3.37Å; Y88-I91 PolarHBondContact O-N 3.07Å; I91-M94 WeakPolarHBondContact O-CB 3.41Å; I91-M94 PolarHBondContact O-N 3.36Å; I91-N95 WeakPolarHBondContact O-CB 3.44Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.27Å; I91-N95 PolarHBondContact O-ND2 2.75Å; I91-L101 HydrophobicContact CD1-CD2 4.18Å
92	E	88.6	Confident	88.7	Confident	94 Å²	94	48.5 Å²	48.5	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-44.2	175.5	-167.7	-174.6	155.4	0	0	111.4	Y88 D89 L90 M94 N95 K96	Y88-E92 WeakPolarHBondContact O-CB 3.11Å; Y88-E92 PolarHBondContact O-N 3.2Å; D89-E92 PolarHBondContact O-N 3.03Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 3.03Å; E92-M94 VanDerWaalsContact C-N 3.33Å; E92-M94 PolarHBondContact O-N 3.16Å; E92-N95 PolarHBondContact O-N 3.36Å; E92-K96 HydrophobicContact CG-CD 4.48Å; E92-K96 WeakPolarHBondContact O-CG 3.3Å; E92-K96 PolarHBondContact O-N 3.46Å; E92-K96 WeakPolarHBondContact OE1-CE 3.5Å; E92-K96 IonicContact OE1-NZ 2.92Å; E92-K96 PolarHBondContact OE1-NZ 3.18Å
93	L	88.2	Confident	89.7	Confident	69 Å²	69	46.6 Å²	46.6	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-43.2	173.3	-76.3	165.5	0	0	0	111.8	V77 D89 L90 K96 A97 M153	V77-L93 HydrophobicContact CG1-CD1 4.22Å; V77-L93 HydrophobicContact CG2-CD1 4.49Å; D89-L93 WeakPolarHBondContact O-CG 3.48Å; D89-L93 PolarHBondContact O-N 2.88Å; L90-L93 PolarHBondContact O-N 3.33Å; L93-K96 PolarHBondContact O-N 2.82Å; L93-A97 PolarHBondContact O-N 3.46Å; L93-M153 HydrophobicContact CB-CE 4.41Å; L93-M153 HydrophobicContact CD1-SD 3.96Å
94	M	92.7	Very high	90.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-47.7	175.1	-64.8	173.1	53.3	0	0	111.6	L90 I91 E92 K96 A97 G98 I99 L101 L106 F109 I152	L90-M94 HydrophobicContact CG-SD 4.43Å; L90-M94 WeakPolarHBondContact O-CG 3.23Å; L90-M94 PolarHBondContact O-N 3.44Å; I91-M94 WeakPolarHBondContact O-CB 3.41Å; I91-M94 PolarHBondContact O-N 3.36Å; E92-M94 VanDerWaalsContact C-N 3.33Å; E92-M94 PolarHBondContact O-N 3.16Å; M94-K96 PolarHBondContact O-N 3.06Å; M94-A97 CarbonylContact O-C 3.5Å; M94-A97 PolarHBondContact O-N 3.35Å; M94-G98 PolarHBondContact O-N 2.66Å; M94-G98 VanDerWaalsContact O-N 3.14Å; M94-I99 CarbonylContact C-O 3.59Å; M94-I99 WeakPolarHBondContact CB-O 3.3Å; M94-I99 PolarHBondContact O-N 3.26Å; M94-L101 HydrophobicContact CE-CB 4.32Å; M94-L101 HydrophobicContact CE-CD1 4.03Å; M94-L106 HydrophobicContact CE-CD1 3.34Å; M94-F109 HydrophobicContact SD-CE1 4.32Å; M94-I152 HydrophobicContact CB-CD1 4.32Å; M94-I152 HydrophobicContact CB-CG2 4.35Å; M94-I152 HydrophobicContact CE-CD1 4.42Å; M94-I152 HydrophobicContact CG-CD1 3.77Å; M94-I152 HydrophobicContact CG-CG2 3.98Å
95	N	92.4	Very high	90.4	Very high	90 Å²	90	43 Å²	43	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-63.8	-40	178.8	-71.5	-32.3	0	0	0	112.1	I91 E92 A97 G98	I91-N95 WeakPolarHBondContact O-CB 3.44Å; I91-N95 VanDerWaalsContact O-CG 3.29Å; I91-N95 PolarHBondContact O-N 3.27Å; I91-N95 PolarHBondContact O-ND2 2.75Å; E92-N95 PolarHBondContact O-N 3.36Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.49Å; N95-G98 WeakPolarHBondContact O-CA 3.38Å; N95-G98 PolarHBondContact O-N 3.23Å
96	K	91.7	Very high	90.7	Very high	88 Å²	88	43 Å²	43	38%	0.383	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-37.1	174.1	-77.1	176.1	-179.3	164.7	0	112.4	E92 L93 M94 G98	E92-K96 HydrophobicContact CG-CD 4.48Å; E92-K96 WeakPolarHBondContact O-CG 3.3Å; E92-K96 PolarHBondContact O-N 3.46Å; E92-K96 WeakPolarHBondContact OE1-CE 3.5Å; E92-K96 IonicContact OE1-NZ 2.92Å; E92-K96 PolarHBondContact OE1-NZ 3.18Å; L93-K96 PolarHBondContact O-N 2.82Å; M94-K96 PolarHBondContact O-N 3.06Å; K96-G98 PolarHBondContact O-N 2.92Å
97	A	92.9	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-7	172.8	0	0	0	0	0	113.5	L93 M94 N95 I152 F157 Q209	L93-A97 PolarHBondContact O-N 3.46Å; M94-A97 CarbonylContact O-C 3.5Å; M94-A97 PolarHBondContact O-N 3.35Å; N95-A97 VanDerWaalsContact C-N 3.3Å; N95-A97 PolarHBondContact O-N 3.49Å; A97-I152 HydrophobicContact CB-CG2 3.98Å; A97-F157 HydrophobicContact CB-CD2 4.44Å; A97-F157 HydrophobicContact CB-CE2 3.93Å; A97-Q209 WeakPolarHBondContact O-CG 3.43Å; A97-Q209 PolarHBondContact O-NE2 3.37Å
98	G	96.2	Very high	91.3	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	8	-178.5	0	0	0	0	0	115	M94 N95 K96 F162 Q209 R210	M94-G98 PolarHBondContact O-N 2.66Å; M94-G98 VanDerWaalsContact O-N 3.14Å; N95-G98 WeakPolarHBondContact O-CA 3.38Å; N95-G98 PolarHBondContact O-N 3.23Å; K96-G98 PolarHBondContact O-N 2.92Å; G98-F162 VanDerWaalsContact CA-CE1 3.48Å; G98-Q209 CarbonylContact O-C 3.51Å; G98-Q209 VanDerWaalsContact O-CA 3.26Å; G98-Q209 WeakPolarHBondContact O-CA 3.45Å; G98-R210 PolarHBondContact O-N 2.89Å
99	I	96.4	Very high	91.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.23	C	C	.	.			trans	-101.2	121.2	-178.8	-54.7	-60.6	0	0	0	109.3	M94 D103 L106 I152 F157 Q209	M94-I99 CarbonylContact C-O 3.59Å; M94-I99 WeakPolarHBondContact CB-O 3.3Å; M94-I99 PolarHBondContact O-N 3.26Å; I99-D103 HydrophobicContact CG2-CB 4.35Å; I99-L106 HydrophobicContact CG2-CD1 3.71Å; I99-I152 HydrophobicContact CB-CD1 3.96Å; I99-I152 HydrophobicContact CB-CG1 4.32Å; I99-I152 HydrophobicContact CG1-CD1 4.25Å; I99-I152 HydrophobicContact CG1-CG1 4.1Å; I99-I152 HydrophobicContact CG2-CD1 3.9Å; I99-F157 HydrophobicContact CD1-CE1 4.28Å; I99-F157 HydrophobicContact CD1-CZ 4.24Å; I99-F157 HydrophobicContact CG1-CE1 4.34Å; I99-F157 HydrophobicContact CG1-CE2 4.25Å; I99-F157 HydrophobicContact CG1-CZ 3.81Å; I99-Q209 HydrophobicContact CD1-CG 3.96Å
100	S	92.6	Very high	91.9	Very high	37 Å²	37	41.7 Å²	41.7	26%	0.259	22%	0.224	S	C	.	.			trans	-87.8	152.1	177.8	-173.9	0	0	0	0	111.6	N102 D103	S100-N102 VanDerWaalsContact CB-OD1 3.25Å; S100-N102 WeakPolarHBondContact CB-OD1 3.33Å; S100-N102 PolarHBondContact O-N 2.94Å; S100-N102 PolarHBondContact OG-OD1 3.39Å; S100-N102 VanDerWaalsContact OG-OD1 3.04Å; S100-D103 WeakPolarHBondContact O-CB 3.4Å; S100-D103 PolarHBondContact O-N 3.24Å
101	L	90.9	Very high	92.1	Very high	44 Å²	44	47.8 Å²	47.8	23%	0.23	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.6	174.1	-171.8	63	0	0	0	113.1	I91 M94 D103 F109 A110 L113	I91-L101 HydrophobicContact CD1-CD2 4.18Å; M94-L101 HydrophobicContact CE-CB 4.32Å; M94-L101 HydrophobicContact CE-CD1 4.03Å; L101-D103 PolarHBondContact O-N 2.9Å; L101-F109 HydrophobicContact CD1-CD1 3.86Å; L101-F109 HydrophobicContact CD1-CE1 4.02Å; L101-A110 HydrophobicContact CD1-CB 3.98Å; L101-A110 HydrophobicContact CG-CB 4.04Å; L101-L113 HydrophobicContact CD1-CD1 4.3Å
102	N	90.6	Very high	92.2	Very high	115 Å²	115	47.4 Å²	47.4	62%	0.615	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	6.9	175.2	73.2	3.5	0	0	0	113.6	S100 R210	S100-N102 VanDerWaalsContact CB-OD1 3.25Å; S100-N102 WeakPolarHBondContact CB-OD1 3.33Å; S100-N102 PolarHBondContact O-N 2.94Å; S100-N102 PolarHBondContact OG-OD1 3.39Å; S100-N102 VanDerWaalsContact OG-OD1 3.04Å; N102-R210 PolarHBondContact OD1-NH2 3.07Å
103	D	93.8	Very high	92.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.			trans	-58.6	125.2	172	-170.5	-52.5	0	0	0	109.5	I99 S100 L101 R105 L106 A107	I99-D103 HydrophobicContact CG2-CB 4.35Å; S100-D103 WeakPolarHBondContact O-CB 3.4Å; S100-D103 PolarHBondContact O-N 3.24Å; L101-D103 PolarHBondContact O-N 2.9Å; D103-R105 PolarHBondContact O-N 3.16Å; D103-R105 VanDerWaalsContact O-N 3.09Å; D103-R105 WeakPolarHBondContact OD1-CB 3.37Å; D103-R105 WeakPolarHBondContact OD1-CG 3.48Å; D103-R105 IonicContact OD1-CZ 2.9Å; D103-R105 PolarHBondContact OD1-N 2.86Å; D103-R105 IonicContact OD1-NE 2.71Å; D103-R105 PolarHBondContact OD1-NE 3Å; D103-R105 IonicContact OD1-NH2 2.72Å; D103-R105 IonicContact OD2-CZ 3.26Å; D103-R105 IonicContact OD2-NE 3.26Å; D103-R105 PolarHBondContact OD2-NE 2.82Å; D103-R105 IonicContact OD2-NH2 3.08Å; D103-R105 PolarHBondContact OD2-NH2 3.36Å; D103-L106 HydrophobicContact CB-CB 4.39Å; D103-L106 HydrophobicContact CB-CD1 4.25Å; D103-L106 HydrophobicContact CB-CG 4.34Å; D103-L106 WeakPolarHBondContact O-CA 3.25Å; D103-L106 WeakPolarHBondContact O-CB 3.42Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-A107 PolarHBondContact O-N 3.27Å
104	P	94.2	Very high	92	Very high	59 Å²	59	44.5 Å²	44.5	38%	0.383	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-55.7	-29.4	-179.7	-24.5	32.7	0	0	0	113.4	L106 A107 L380 T381	P104-L106 PolarHBondContact O-N 3.33Å; P104-A107 WeakPolarHBondContact O-CB 3.27Å; P104-A107 PolarHBondContact O-N 3.34Å; P104-L380 WeakPolarHBondContact CB-O 3.48Å; P104-L380 HydrophobicContact CG-CB 4.38Å; P104-T381 HydrophobicContact CB-CG2 4.48Å; P104-T381 HydrophobicContact CG-CG2 4.48Å
105	R	94.1	Very high	91.7	Very high	33 Å²	33	49.2 Å²	49.2	13%	0.125	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.8	-21.4	175.8	-60.4	166.3	-59.9	168.3	11.5	111.9	D103 N145 M148 D207 P379 L380	D103-R105 PolarHBondContact O-N 3.16Å; D103-R105 VanDerWaalsContact O-N 3.09Å; D103-R105 WeakPolarHBondContact OD1-CB 3.37Å; D103-R105 WeakPolarHBondContact OD1-CG 3.48Å; D103-R105 IonicContact OD1-CZ 2.9Å; D103-R105 PolarHBondContact OD1-N 2.86Å; D103-R105 IonicContact OD1-NE 2.71Å; D103-R105 PolarHBondContact OD1-NE 3Å; D103-R105 IonicContact OD1-NH2 2.72Å; D103-R105 IonicContact OD2-CZ 3.26Å; D103-R105 IonicContact OD2-NE 3.26Å; D103-R105 PolarHBondContact OD2-NE 2.82Å; D103-R105 IonicContact OD2-NH2 3.08Å; D103-R105 PolarHBondContact OD2-NH2 3.36Å; R105-N145 PolarHBondContact O-ND2 3.01Å; R105-M148 HydrophobicContact CB-CE 4.03Å; R105-M148 HydrophobicContact CG-CE 4.48Å; R105-D207 VanDerWaalsContact CZ-O 3.27Å; R105-D207 PolarHBondContact NH1-O 2.89Å; R105-D207 PolarHBondContact NH2-O 3.46Å; R105-P379 PolarHBondContact NE-O 3.46Å; R105-P379 PolarHBondContact NH1-O 3.32Å; R105-L380 VanDerWaalsContact CG-O 3.29Å; R105-L380 WeakPolarHBondContact CG-O 3.34Å
106	L	93.3	Very high	91.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-102.6	7.4	178.7	-66.7	177.8	0	0	0	113.7	M94 I99 D103 P104 K108 F109 A110 N145 M148 I152	M94-L106 HydrophobicContact CE-CD1 3.34Å; I99-L106 HydrophobicContact CG2-CD1 3.71Å; D103-L106 HydrophobicContact CB-CB 4.39Å; D103-L106 HydrophobicContact CB-CD1 4.25Å; D103-L106 HydrophobicContact CB-CG 4.34Å; D103-L106 WeakPolarHBondContact O-CA 3.25Å; D103-L106 WeakPolarHBondContact O-CB 3.42Å; D103-L106 PolarHBondContact O-N 2.83Å; P104-L106 PolarHBondContact O-N 3.33Å; L106-K108 PolarHBondContact O-N 2.85Å; L106-K108 VanDerWaalsContact O-N 3.12Å; L106-F109 WeakPolarHBondContact O-CB 3.32Å; L106-F109 PolarHBondContact O-N 3.34Å; L106-F109 VanDerWaalsContact O-N 3.14Å; L106-A110 PolarHBondContact O-N 3.43Å; L106-N145 HydrophobicContact CD2-CB 3.95Å; L106-M148 HydrophobicContact CD1-CG 4.4Å; L106-M148 HydrophobicContact CD2-CB 3.87Å; L106-M148 HydrophobicContact CD2-CG 3.61Å; L106-M148 HydrophobicContact CG-CG 4.1Å; L106-I152 HydrophobicContact CD1-CD1 4.49Å
107	A	92	Very high	90.4	Very high	56 Å²	56	46.6 Å²	46.6	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-55.6	-35.7	-174.9	0	0	0	0	0	113.9	D103 P104 K111	D103-A107 PolarHBondContact O-N 3.27Å; P104-A107 WeakPolarHBondContact O-CB 3.27Å; P104-A107 PolarHBondContact O-N 3.34Å; A107-K111 VanDerWaalsContact O-CB 3.31Å; A107-K111 WeakPolarHBondContact O-CB 3.33Å; A107-K111 PolarHBondContact O-N 3.09Å
108	K	93.1	Very high	89.4	Confident	121 Å²	121	48 Å²	48	53%	0.526	26%	0.264	S	S	.	.	H	α-helix	trans	-72.8	-44.7	179.2	-62.3	-174.2	-179.5	174.7	0	111.9	L106 K111 S112 E144	L106-K108 PolarHBondContact O-N 2.85Å; L106-K108 VanDerWaalsContact O-N 3.12Å; K108-K111 PolarHBondContact O-N 2.92Å; K108-S112 PolarHBondContact O-N 3.37Å; K108-S112 PolarHBondContact O-OG 3.15Å; K108-E144 HydrophobicContact CB-CB 4.39Å; K108-E144 HydrophobicContact CD-CB 4.07Å; K108-E144 HydrophobicContact CD-CG 4.41Å; K108-E144 WeakPolarHBondContact CD-OE2 3.29Å; K108-E144 VanDerWaalsContact CE-OE2 3.26Å; K108-E144 WeakPolarHBondContact CE-OE2 3.3Å; K108-E144 IonicContact NZ-OE2 3.84Å; K108-E144 PolarHBondContact NZ-OE2 3.44Å
109	F	91	Very high	87.8	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-49.1	171.5	179.1	-105.9	0	0	0	111.7	L90 M94 L101 L106 K111 S112 L113 V141 N145 L149	L90-F109 HydrophobicContact CD2-CE1 4.44Å; L90-F109 HydrophobicContact CD2-CZ 3.68Å; M94-F109 HydrophobicContact SD-CE1 4.32Å; L101-F109 HydrophobicContact CD1-CD1 3.86Å; L101-F109 HydrophobicContact CD1-CE1 4.02Å; L106-F109 WeakPolarHBondContact O-CB 3.32Å; L106-F109 PolarHBondContact O-N 3.34Å; L106-F109 VanDerWaalsContact O-N 3.14Å; F109-K111 VanDerWaalsContact C-N 3.33Å; F109-K111 PolarHBondContact O-N 3.16Å; F109-S112 PolarHBondContact O-N 2.99Å; F109-L113 HydrophobicContact CD1-CD1 4.01Å; F109-L113 HydrophobicContact CE1-CD1 3.42Å; F109-L113 VanDerWaalsContact CE1-CD1 3.42Å; F109-L113 HydrophobicContact CE1-CG 4.19Å; F109-L113 HydrophobicContact CE2-CD1 4.42Å; F109-L113 HydrophobicContact CE2-CG 4.41Å; F109-L113 HydrophobicContact CZ-CD1 3.64Å; F109-L113 HydrophobicContact CZ-CD2 4.34Å; F109-L113 HydrophobicContact CZ-CG 4.08Å; F109-L113 WeakPolarHBondContact O-CG 3.26Å; F109-L113 PolarHBondContact O-N 3.46Å; F109-V141 HydrophobicContact CD2-CG1 3.57Å; F109-V141 HydrophobicContact CE2-CB 4.39Å; F109-V141 HydrophobicContact CE2-CG1 3.46Å; F109-V141 VanDerWaalsContact CE2-CG1 3.46Å; F109-V141 HydrophobicContact CZ-CG1 4.36Å; F109-N145 HydrophobicContact CB-CB 3.95Å; F109-N145 VanDerWaalsContact CB-OD1 3.22Å; F109-N145 WeakPolarHBondContact CB-OD1 3.23Å; F109-N145 PolarHBondContact N-OD1 3.29Å; F109-L149 HydrophobicContact CD2-CD1 3.96Å; F109-L149 HydrophobicContact CE1-CD2 4.23Å; F109-L149 HydrophobicContact CE2-CD1 3.86Å; F109-L149 HydrophobicContact CE2-CD2 4.37Å; F109-L149 HydrophobicContact CZ-CD1 4.44Å; F109-L149 HydrophobicContact CZ-CD2 4.17Å
110	A	90.3	Very high	85.9	Confident	15 Å²	15	56.9 Å²	56.9	12%	0.124	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-42.1	176.8	0	0	0	0	0	112.1	L101 L106 L113 N114	L101-A110 HydrophobicContact CD1-CB 3.98Å; L101-A110 HydrophobicContact CG-CB 4.04Å; L106-A110 PolarHBondContact O-N 3.43Å; A110-L113 PolarHBondContact O-N 3.43Å; A110-N114 VanDerWaalsContact O-CG 3.27Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 3.11Å
111	K	91	Very high	84	Confident	130 Å²	130	61 Å²	61	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-48	175	-179.2	177.2	171.1	178.7	0	111.9	A107 K108 F109 L113 N114 E115	A107-K111 VanDerWaalsContact O-CB 3.31Å; A107-K111 WeakPolarHBondContact O-CB 3.33Å; A107-K111 PolarHBondContact O-N 3.09Å; K108-K111 PolarHBondContact O-N 2.92Å; F109-K111 VanDerWaalsContact C-N 3.33Å; F109-K111 PolarHBondContact O-N 3.16Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.16Å; K111-N114 PolarHBondContact O-N 3.34Å; K111-E115 WeakPolarHBondContact CE-OE1 3.43Å; K111-E115 IonicContact NZ-OE1 3.31Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 3.44Å
112	S	89.8	Confident	82	Confident	36 Å²	36	65.2 Å²	65.2	25%	0.252	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-37.1	178.3	-65.9	0	0	0	0	112.5	K108 F109 L116	K108-S112 PolarHBondContact O-N 3.37Å; K108-S112 PolarHBondContact O-OG 3.15Å; F109-S112 PolarHBondContact O-N 2.99Å; S112-L116 WeakPolarHBondContact O-CG 3.44Å; S112-L116 PolarHBondContact O-N 2.89Å; S112-L116 VanDerWaalsContact O-N 3.12Å
113	L	86.7	Confident	79.9	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-45.8	172.8	-73.9	-177.8	0	0	0	112.3	I87 L101 F109 A110 K111 E115 L116 Q117 L133 V141	I87-L113 HydrophobicContact CD1-CD2 3.52Å; I87-L113 HydrophobicContact CG1-CD2 4.06Å; I87-L113 HydrophobicContact CG2-CD1 4.41Å; L101-L113 HydrophobicContact CD1-CD1 4.3Å; F109-L113 HydrophobicContact CD1-CD1 4.01Å; F109-L113 HydrophobicContact CE1-CD1 3.42Å; F109-L113 VanDerWaalsContact CE1-CD1 3.42Å; F109-L113 HydrophobicContact CE1-CG 4.19Å; F109-L113 HydrophobicContact CE2-CD1 4.42Å; F109-L113 HydrophobicContact CE2-CG 4.41Å; F109-L113 HydrophobicContact CZ-CD1 3.64Å; F109-L113 HydrophobicContact CZ-CD2 4.34Å; F109-L113 HydrophobicContact CZ-CG 4.08Å; F109-L113 WeakPolarHBondContact O-CG 3.26Å; F109-L113 PolarHBondContact O-N 3.46Å; A110-L113 PolarHBondContact O-N 3.43Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.16Å; L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 3.29Å; L113-Q117 PolarHBondContact O-N 3.43Å; L113-L133 HydrophobicContact CD2-CD1 4.19Å; L113-V141 HydrophobicContact CD2-CG1 3.63Å; L113-V141 HydrophobicContact CG-CG1 3.82Å
114	N	85.5	Confident	77	Confident	98 Å²	98	76.9 Å²	76.9	52%	0.524	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-39.4	179.1	-70.2	-20.8	0	0	0	112.1	A110 K111 L116 Q117 G118	A110-N114 VanDerWaalsContact O-CG 3.27Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 3.11Å; K111-N114 PolarHBondContact O-N 3.34Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.27Å; N114-Q117 PolarHBondContact O-N 3.44Å; N114-G118 PolarHBondContact O-N 2.82Å
115	E	86.2	Confident	74.3	Confident	99 Å²	99	78.5 Å²	78.5	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-40.4	174.7	-73.6	173.2	178.2	0	0	111.6	K111 L113 N119	K111-E115 WeakPolarHBondContact CE-OE1 3.43Å; K111-E115 IonicContact NZ-OE1 3.31Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 3.44Å; L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 2.84Å; E115-N119 WeakPolarHBondContact O-CB 3.33Å; E115-N119 PolarHBondContact O-N 3.24Å; E115-N119 PolarHBondContact O-ND2 3.26Å; E115-N119 VanDerWaalsContact O-ND2 3.14Å
116	L	81.6	Confident	71.3	Confident	46 Å²	46	84.5 Å²	84.5	24%	0.241	44%	0.435	C	S	.	.	H	α-helix	trans	-66.3	-43.7	174.2	-75	176.9	0	0	0	112.7	S112 L113 N114 N119 Q120 L131 L133 T137 V141	S112-L116 WeakPolarHBondContact O-CG 3.44Å; S112-L116 PolarHBondContact O-N 2.89Å; S112-L116 VanDerWaalsContact O-N 3.12Å; L113-L116 PolarHBondContact O-N 3.29Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 3.27Å; L116-N119 PolarHBondContact O-N 2.96Å; L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 3.18Å; L116-L131 HydrophobicContact CB-CD2 4.21Å; L116-L133 HydrophobicContact CD1-CD2 3.86Å; L116-T137 HydrophobicContact CD1-CG2 3.59Å; L116-T137 HydrophobicContact CD2-CG2 4.19Å; L116-V141 HydrophobicContact CD1-CG2 3.19Å; L116-V141 HydrophobicContact CG-CG2 4.35Å
117	Q	76	Confident	68.6	Low	76 Å²	76	91.7 Å²	91.7	36%	0.355	47%	0.469	S	S	.	.	H	α-helix	trans	-60.4	-47.2	175.6	-73	-172.3	-13.8	0	0	111.2	L113 N114 N119 Q120 I121 L131	L113-Q117 PolarHBondContact O-N 3.43Å; N114-Q117 PolarHBondContact O-N 3.44Å; Q117-N119 VanDerWaalsContact C-N 3.31Å; Q117-N119 PolarHBondContact O-N 2.77Å; Q117-Q120 PolarHBondContact O-N 3.19Å; Q117-Q120 VanDerWaalsContact O-N 3.14Å; Q117-I121 VanDerWaalsContact O-CG1 3.28Å; Q117-I121 WeakPolarHBondContact O-CG1 3.4Å; Q117-I121 PolarHBondContact O-N 3.4Å; Q117-L131 HydrophobicContact CB-CD2 4.49Å; Q117-L131 HydrophobicContact CG-CB 4.4Å; Q117-L131 HydrophobicContact CG-CD1 4.4Å; Q117-L131 HydrophobicContact CG-CD2 3.36Å; Q117-L131 HydrophobicContact CG-CG 4.24Å
118	G	71.1	Confident	66.2	Low	30 Å²	30	95.2 Å²	95.2	31%	0.309	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-40.2	177.6	0	0	0	0	0	112.8	N114 I121 N122	N114-G118 PolarHBondContact O-N 2.82Å; G118-I121 PolarHBondContact O-N 2.82Å; G118-N122 PolarHBondContact O-N 2.9Å; G118-N122 PolarHBondContact O-ND2 3.22Å
119	N	62.9	Low	64.2	Low	98 Å²	98	97.2 Å²	97.2	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-68.9	-31	176.5	-73.2	-25.6	0	0	0	113.3	E115 L116 Q117 R123	E115-N119 WeakPolarHBondContact O-CB 3.33Å; E115-N119 PolarHBondContact O-N 3.24Å; E115-N119 PolarHBondContact O-ND2 3.26Å; E115-N119 VanDerWaalsContact O-ND2 3.14Å; L116-N119 PolarHBondContact O-N 2.96Å; Q117-N119 VanDerWaalsContact C-N 3.31Å; Q117-N119 PolarHBondContact O-N 2.77Å; N119-R123 WeakPolarHBondContact O-CG 3.42Å
120	Q	56.9	Low	62.9	Low	96 Å²	96	99.2 Å²	99.2	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-75.9	-36.8	173.5	-73.4	-165.8	2.7	0	0	112.6	L116 Q117 R123 L131	L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 3.18Å; Q117-Q120 PolarHBondContact O-N 3.19Å; Q117-Q120 VanDerWaalsContact O-N 3.14Å; Q120-R123 PolarHBondContact O-N 3.22Å; Q120-R123 VanDerWaalsContact O-N 3.15Å; Q120-L131 HydrophobicContact CG-CD1 4.16Å; Q120-L131 VanDerWaalsContact NE2-CD1 3.28Å
121	I	53.8	Low	62.3	Low	123 Å²	123	98.9 Å²	98.9	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-40.3	176	-66.7	164	0	0	0	110.9	Q117 G118 R123 N124	Q117-I121 VanDerWaalsContact O-CG1 3.28Å; Q117-I121 WeakPolarHBondContact O-CG1 3.4Å; Q117-I121 PolarHBondContact O-N 3.4Å; G118-I121 PolarHBondContact O-N 2.82Å; I121-R123 PolarHBondContact O-N 2.92Å; I121-N124 PolarHBondContact O-N 3.14Å
122	N	47.4	Very low	62	Low	134 Å²	134	95.4 Å²	95.4	72%	0.717	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.2	175.7	-76.4	-24.8	0	0	0	113.8	G118	G118-N122 PolarHBondContact O-N 2.9Å; G118-N122 PolarHBondContact O-ND2 3.22Å
123	R	46.7	Very low	61.9	Low	207 Å²	207	93.8 Å²	93.8	78%	0.781	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	51.1	174.4	-70.9	-178.2	177.5	175.4	1	111.5	N119 Q120 I121 V125	N119-R123 WeakPolarHBondContact O-CG 3.42Å; Q120-R123 PolarHBondContact O-N 3.22Å; Q120-R123 VanDerWaalsContact O-N 3.15Å; I121-R123 PolarHBondContact O-N 2.92Å; R123-V125 WeakPolarHBondContact O-CG2 3.41Å; R123-V125 PolarHBondContact O-N 2.63Å
124	N	34.2	Very low	62	Low	152 Å²	152	96.6 Å²	96.6	81%	0.813	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.3	41	167.2	-77.8	-11.7	0	0	0	116.8	I121	I121-N124 PolarHBondContact O-N 3.14Å
125	V	37.5	Very low	62.2	Low	94 Å²	94	94.7 Å²	94.7	57%	0.57	49%	0.488	S	S	*	.			trans	-108.5	81.8	165.9	-176.1	0	0	0	0	107.6	R123 Q127	R123-V125 WeakPolarHBondContact O-CG2 3.41Å; R123-V125 PolarHBondContact O-N 2.63Å; V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 2.86Å; V125-Q127 VanDerWaalsContact O-N 3.08Å
126	I	29.8	Very low	62.3	Low	158 Å²	158	95.1 Å²	95.1	81%	0.81	49%	0.49	S	S	*	.			trans	-73.3	90.6	166.9	-59.6	169.5	0	0	0	106.4
127	Q	37.5	Very low	62.6	Low	151 Å²	151	94.7 Å²	94.7	71%	0.706	49%	0.49	S	S	*	.	S	Bend	trans	179.7	140.9	149.4	-101.4	162.7	17.7	0	0	108.1	V125 K129	V125-Q127 VanDerWaalsContact C-N 3.32Å; V125-Q127 PolarHBondContact O-N 2.86Å; V125-Q127 VanDerWaalsContact O-N 3.08Å; Q127-K129 PolarHBondContact O-N 3Å
128	S	42.2	Very low	63.3	Low	130 Å²	130	91.1 Å²	91.1	91%	0.909	47%	0.473	S	S	*	.			trans	-51.6	65.6	171	52.7	0	0	0	0	113.7
129	K	50.8	Low	64	Low	163 Å²	163	91.9 Å²	91.9	71%	0.709	47%	0.466	S	S	*	.			trans	-94.6	134.7	171.9	-89.1	-175.9	172.6	179.4	0	108.8	Q127 L131	Q127-K129 PolarHBondContact O-N 3Å; K129-L131 PolarHBondContact O-N 3.14Å
130	S	62.8	Low	65.2	Low	44 Å²	44	92.6 Å²	92.6	31%	0.308	47%	0.469	S	S	.	.			trans	-52.1	128.8	177.8	60.8	0	0	0	0	110.7	D86 T132	D86-S130 VanDerWaalsContact OD1-CB 3.32Å; D86-S130 WeakPolarHBondContact OD1-CB 3.38Å; D86-S130 WeakPolarHBondContact OD2-CB 3.39Å; D86-S130 PolarHBondContact OD2-OG 2.81Å; S130-T132 PolarHBondContact O-N 2.84Å; S130-T132 VanDerWaalsContact O-N 3.07Å
131	L	77.5	Confident	66.7	Low	8 Å²	8	88.2 Å²	88.2	4%	0.042	45%	0.449	C	S	.	.			trans	-65.6	113.7	172.6	-174.4	69.2	0	0	0	105.6	I87 L116 Q117 Q120 K129	I87-L131 HydrophobicContact CB-CB 4.47Å; I87-L131 WeakPolarHBondContact CB-O 3.31Å; I87-L131 HydrophobicContact CD1-CB 3.55Å; I87-L131 HydrophobicContact CD1-CD2 3.1Å; I87-L131 HydrophobicContact CD1-CG 3.27Å; I87-L131 WeakPolarHBondContact CD1-O 3.4Å; I87-L131 WeakPolarHBondContact CG1-O 3.44Å; I87-L131 PolarHBondContact N-O 3.47Å; L116-L131 HydrophobicContact CB-CD2 4.21Å; Q117-L131 HydrophobicContact CB-CD2 4.49Å; Q117-L131 HydrophobicContact CG-CB 4.4Å; Q117-L131 HydrophobicContact CG-CD1 4.4Å; Q117-L131 HydrophobicContact CG-CD2 3.36Å; Q117-L131 HydrophobicContact CG-CG 4.24Å; Q120-L131 HydrophobicContact CG-CD1 4.16Å; Q120-L131 VanDerWaalsContact NE2-CD1 3.28Å; K129-L131 PolarHBondContact O-N 3.14Å
132	T	85.5	Confident	68.3	Low	56 Å²	56	82.4 Å²	82.4	34%	0.344	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.2	177.3	47.6	0	0	0	0	109.7	I85 S130	I85-T132 CarbonylContact O-C 3.57Å; I85-T132 WeakPolarHBondContact O-CA 3.45Å; S130-T132 PolarHBondContact O-N 2.84Å; S130-T132 VanDerWaalsContact O-N 3.07Å
133	L	87.7	Confident	70.2	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.01	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.5	-179.3	-58.3	176.9	0	0	0	109.2	M84 I85 I87 L113 L116 T137 F138	M84-L133 CarbonylContact C-O 3.51Å; M84-L133 WeakPolarHBondContact CA-O 3.35Å; I85-L133 HydrophobicContact CB-CB 4.45Å; I85-L133 PolarHBondContact N-O 3.25Å; I85-L133 PolarHBondContact O-N 3.26Å; I87-L133 HydrophobicContact CD1-CD1 3.83Å; I87-L133 HydrophobicContact CD1-CD2 3.86Å; I87-L133 HydrophobicContact CD1-CG 3.66Å; I87-L133 HydrophobicContact CG1-CD1 3.81Å; I87-L133 HydrophobicContact CG1-CG 3.93Å; L113-L133 HydrophobicContact CD2-CD1 4.19Å; L116-L133 HydrophobicContact CD1-CD2 3.86Å; L133-T137 HydrophobicContact CD2-CG2 3.73Å; L133-F138 HydrophobicContact CB-CB 4.33Å; L133-F138 HydrophobicContact CD1-CD2 4.22Å
134	D	89.5	Confident	72.1	Confident	64 Å²	64	78.9 Å²	78.9	34%	0.342	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	169.9	163	65.2	34.4	0	0	0	110.6	M84 E136 T137 F138	M84-D134 HydrophobicContact CE-CB 4.12Å; M84-D134 VanDerWaalsContact SD-CA 3.59Å; M84-D134 HydrophobicContact SD-CB 3.56Å; M84-D134 VanDerWaalsContact SD-CB 3.56Å; D134-E136 VanDerWaalsContact C-N 3.28Å; D134-E136 PolarHBondContact O-N 3.21Å; D134-E136 PolarHBondContact OD1-N 3.01Å; D134-T137 VanDerWaalsContact CG-OG1 3.32Å; D134-T137 PolarHBondContact O-N 3.38Å; D134-T137 WeakPolarHBondContact OD1-CB 3.34Å; D134-T137 PolarHBondContact OD1-N 3.39Å; D134-T137 PolarHBondContact OD1-OG1 3.4Å; D134-T137 PolarHBondContact OD2-OG1 2.96Å; D134-F138 WeakPolarHBondContact O-CB 3.29Å; D134-F138 PolarHBondContact O-N 2.95Å
135	R	89	Confident	74.7	Confident	58 Å²	58	72.6 Å²	72.6	22%	0.219	37%	0.371	C	S	.	.	H	α-helix	trans	-57	-39.8	-176.1	-169.6	178	-67.6	-106.5	-1.1	113	D71 F74 D75 E83 R139	D71-R135 WeakPolarHBondContact OD1-CD 3.45Å; D71-R135 IonicContact OD1-NH1 3.92Å; F74-R135 HydrophobicContact CD1-CB 4.32Å; F74-R135 HydrophobicContact CD1-CG 4.19Å; F74-R135 HydrophobicContact CD2-CB 4.33Å; F74-R135 HydrophobicContact CD2-CG 4.46Å; F74-R135 HydrophobicContact CE1-CB 4.11Å; F74-R135 HydrophobicContact CE1-CG 4.45Å; F74-R135 VanDerWaalsContact CE2-CA 3.46Å; F74-R135 HydrophobicContact CE2-CB 4.14Å; F74-R135 HydrophobicContact CG-CB 4.43Å; F74-R135 HydrophobicContact CG-CG 4.19Å; F74-R135 HydrophobicContact CZ-CB 4.02Å; D75-R135 IonicContact OD1-CZ 3.66Å; D75-R135 IonicContact OD1-NH1 3.51Å; D75-R135 IonicContact OD1-NH2 2.81Å; D75-R135 PolarHBondContact OD1-NH2 3.5Å; D75-R135 IonicContact OD2-CZ 2.73Å; D75-R135 IonicContact OD2-NH1 3.52Å; D75-R135 PolarHBondContact OD2-NH1 2.78Å; D75-R135 IonicContact OD2-NH2 3.51Å; E83-R135 IonicContact OE1-NH2 4Å; E83-R135 IonicContact OE2-CZ 3.97Å; E83-R135 IonicContact OE2-NE 3.64Å; E83-R135 IonicContact OE2-NH2 3.23Å; E83-R135 PolarHBondContact OE2-NH2 3.21Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 2.92Å; R135-R139 VanDerWaalsContact O-N 3.16Å
136	E	88.5	Confident	77	Confident	107 Å²	107	69.1 Å²	69.1	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-75.5	-41.2	-177.4	-165.8	61.3	-164.6	0	0	111.5	D134 F138 R139 I140	D134-E136 VanDerWaalsContact C-N 3.28Å; D134-E136 PolarHBondContact O-N 3.21Å; D134-E136 PolarHBondContact OD1-N 3.01Å; E136-F138 VanDerWaalsContact C-N 3.35Å; E136-F138 PolarHBondContact O-N 3.17Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 3.21Å; E136-R139 WeakPolarHBondContact OE2-CD 3.46Å; E136-R139 IonicContact OE2-CZ 3.28Å; E136-R139 IonicContact OE2-NH1 3.72Å; E136-R139 PolarHBondContact OE2-NH1 2.8Å; E136-I140 WeakPolarHBondContact O-CG1 3.16Å; E136-I140 PolarHBondContact O-N 3.35Å; E136-I140 VanDerWaalsContact O-N 3.16Å
137	T	88.4	Confident	79.6	Confident	38 Å²	38	66.1 Å²	66.1	23%	0.233	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-42.3	175.1	-51	0	0	0	0	110.3	L116 L133 D134 R139 I140 V141	L116-T137 HydrophobicContact CD1-CG2 3.59Å; L116-T137 HydrophobicContact CD2-CG2 4.19Å; L133-T137 HydrophobicContact CD2-CG2 3.73Å; D134-T137 VanDerWaalsContact CG-OG1 3.32Å; D134-T137 PolarHBondContact O-N 3.38Å; D134-T137 WeakPolarHBondContact OD1-CB 3.34Å; D134-T137 PolarHBondContact OD1-N 3.39Å; D134-T137 PolarHBondContact OD1-OG1 3.4Å; D134-T137 PolarHBondContact OD2-OG1 2.96Å; T137-R139 VanDerWaalsContact C-N 3.34Å; T137-R139 PolarHBondContact O-N 3.29Å; T137-I140 PolarHBondContact O-N 3.44Å; T137-I140 VanDerWaalsContact O-N 3.16Å; T137-V141 HydrophobicContact CG2-CG2 4.41Å; T137-V141 VanDerWaalsContact O-CG2 3.29Å; T137-V141 WeakPolarHBondContact O-CG2 3.41Å; T137-V141 PolarHBondContact O-N 3.33Å
138	F	89.2	Confident	82	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-44.1	174.9	177.7	-101.9	0	0	0	111.9	V73 F74 I85 L90 L133 D134 E136 I140 V141 A142 L149	V73-F138 HydrophobicContact CB-CE1 4.25Å; V73-F138 HydrophobicContact CB-CZ 4.37Å; V73-F138 HydrophobicContact CG1-CE1 4.04Å; V73-F138 HydrophobicContact CG1-CZ 3.67Å; F74-F138 HydrophobicContact CB-CD1 3.98Å; F74-F138 HydrophobicContact CB-CE1 4.25Å; F74-F138 HydrophobicContact CD2-CB 3.69Å; F74-F138 AromaticContact CD2-CD1 3.9Å; F74-F138 HydrophobicContact CD2-CD1 3.9Å; F74-F138 AromaticContact CD2-CG 3.83Å; F74-F138 HydrophobicContact CD2-CG 3.83Å; F74-F138 HydrophobicContact CE2-CB 4.08Å; F74-F138 HydrophobicContact CG-CD1 4.46Å; I85-F138 HydrophobicContact CD1-CD2 3.7Å; I85-F138 HydrophobicContact CD1-CE2 3.99Å; I85-F138 HydrophobicContact CD1-CG 4Å; L90-F138 HydrophobicContact CD2-CE2 4.43Å; L133-F138 HydrophobicContact CB-CB 4.33Å; L133-F138 HydrophobicContact CD1-CD2 4.22Å; D134-F138 WeakPolarHBondContact O-CB 3.29Å; D134-F138 PolarHBondContact O-N 2.95Å; E136-F138 VanDerWaalsContact C-N 3.35Å; E136-F138 PolarHBondContact O-N 3.17Å; F138-I140 VanDerWaalsContact C-N 3.28Å; F138-I140 PolarHBondContact O-N 3.01Å; F138-V141 PolarHBondContact O-N 3.32Å; F138-A142 HydrophobicContact CD1-CB 4.33Å; F138-A142 HydrophobicContact CD2-CB 4.41Å; F138-A142 HydrophobicContact CE1-CB 3.95Å; F138-A142 HydrophobicContact CE2-CB 4.02Å; F138-A142 HydrophobicContact CZ-CB 3.77Å; F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 3.04Å; F138-L149 HydrophobicContact CZ-CD1 4.45Å
139	R	87.5	Confident	84.1	Confident	45 Å²	45	53.6 Å²	53.6	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-42.1	176	-74.5	166.5	-179.8	175.4	-4.2	112.1	M67 Y70 D71 R135 E136 T137 K143	M67-R139 VanDerWaalsContact CE-CZ 3.45Å; M67-R139 VanDerWaalsContact CE-NH1 3.26Å; Y70-R139 HydrophobicContact CD1-CG 4.31Å; Y70-R139 HydrophobicContact CG-CG 3.95Å; D71-R139 IonicContact OD1-CZ 3.73Å; D71-R139 VanDerWaalsContact OD1-CZ 3.3Å; D71-R139 IonicContact OD1-NE 2.75Å; D71-R139 PolarHBondContact OD1-NE 3.17Å; D71-R139 VanDerWaalsContact OD1-NE 3.13Å; D71-R139 IonicContact OD1-NH2 2.81Å; D71-R139 PolarHBondContact OD1-NH2 3.41Å; D71-R139 IonicContact OD2-CZ 3.89Å; D71-R139 IonicContact OD2-NH2 3.93Å; D71-R139 PolarHBondContact OD2-NH2 3.19Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 2.92Å; R135-R139 VanDerWaalsContact O-N 3.16Å; E136-R139 WeakPolarHBondContact O-CB 3.49Å; E136-R139 PolarHBondContact O-N 3.21Å; E136-R139 WeakPolarHBondContact OE2-CD 3.46Å; E136-R139 IonicContact OE2-CZ 3.28Å; E136-R139 IonicContact OE2-NH1 3.72Å; E136-R139 PolarHBondContact OE2-NH1 2.8Å; T137-R139 VanDerWaalsContact C-N 3.34Å; T137-R139 PolarHBondContact O-N 3.29Å; R139-K143 WeakPolarHBondContact O-CB 3.48Å; R139-K143 PolarHBondContact O-N 3.04Å
140	I	87.3	Confident	85.7	Confident	113 Å²	113	45.9 Å²	45.9	58%	0.579	23%	0.225	S	C	*	.	H	α-helix	trans	-64.4	-48.2	179	-65.5	167.2	0	0	0	110.5	E136 T137 F138 K143	E136-I140 WeakPolarHBondContact O-CG1 3.16Å; E136-I140 PolarHBondContact O-N 3.35Å; E136-I140 VanDerWaalsContact O-N 3.16Å; T137-I140 PolarHBondContact O-N 3.44Å; T137-I140 VanDerWaalsContact O-N 3.16Å; F138-I140 VanDerWaalsContact C-N 3.28Å; F138-I140 PolarHBondContact O-N 3.01Å; I140-K143 WeakPolarHBondContact O-CB 3.17Å
141	V	88.2	Confident	86.8	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-42.5	-176.4	-176.8	0	0	0	0	111.7	F109 L113 L116 T137 F138 K143	F109-V141 HydrophobicContact CD2-CG1 3.57Å; F109-V141 HydrophobicContact CE2-CB 4.39Å; F109-V141 HydrophobicContact CE2-CG1 3.46Å; F109-V141 VanDerWaalsContact CE2-CG1 3.46Å; F109-V141 HydrophobicContact CZ-CG1 4.36Å; L113-V141 HydrophobicContact CD2-CG1 3.63Å; L113-V141 HydrophobicContact CG-CG1 3.82Å; L116-V141 HydrophobicContact CD1-CG2 3.19Å; L116-V141 HydrophobicContact CG-CG2 4.35Å; T137-V141 HydrophobicContact CG2-CG2 4.41Å; T137-V141 VanDerWaalsContact O-CG2 3.29Å; T137-V141 WeakPolarHBondContact O-CG2 3.41Å; T137-V141 PolarHBondContact O-N 3.33Å; F138-V141 PolarHBondContact O-N 3.32Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 3.43Å
142	A	87.4	Confident	87.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76.9	-10.2	-176.2	0	0	0	0	0	113.6	Y70 F138 E144 N145 L146 L149	Y70-A142 HydrophobicContact CD1-CB 4.27Å; Y70-A142 HydrophobicContact CE1-CB 4.21Å; F138-A142 HydrophobicContact CD1-CB 4.33Å; F138-A142 HydrophobicContact CD2-CB 4.41Å; F138-A142 HydrophobicContact CE1-CB 3.95Å; F138-A142 HydrophobicContact CE2-CB 4.02Å; F138-A142 HydrophobicContact CZ-CB 3.77Å; F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 3.04Å; A142-E144 VanDerWaalsContact C-N 3.29Å; A142-E144 PolarHBondContact O-N 3.33Å; A142-E144 VanDerWaalsContact O-N 3.09Å; A142-N145 CarbonylContact O-C 3.59Å; A142-N145 PolarHBondContact O-N 3.21Å; A142-L146 PolarHBondContact O-N 3.29Å; A142-L149 HydrophobicContact CB-CD1 3.54Å
143	K	86.7	Confident	87	Confident	144 Å²	144	43.4 Å²	43.4	63%	0.626	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-45.1	-166.4	-171.7	177	178.5	-179.7	0	114.6	Y70 R139 I140 V141	Y70-K143 WeakPolarHBondContact OH-CA 3.21Å; Y70-K143 PolarHBondContact OH-O 3.15Å; Y70-K143 VanDerWaalsContact OH-O 3.13Å; R139-K143 WeakPolarHBondContact O-CB 3.48Å; R139-K143 PolarHBondContact O-N 3.04Å; I140-K143 WeakPolarHBondContact O-CB 3.17Å; V141-K143 VanDerWaalsContact C-N 3.26Å; V141-K143 PolarHBondContact O-N 3.43Å
144	E	86.6	Confident	86.5	Confident	124 Å²	124	45.3 Å²	45.3	58%	0.579	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.9	-173.9	-61.7	-149.4	-164	0	0	113.8	K108 A142	K108-E144 HydrophobicContact CB-CB 4.39Å; K108-E144 HydrophobicContact CD-CB 4.07Å; K108-E144 HydrophobicContact CD-CG 4.41Å; K108-E144 WeakPolarHBondContact CD-OE2 3.29Å; K108-E144 VanDerWaalsContact CE-OE2 3.26Å; K108-E144 WeakPolarHBondContact CE-OE2 3.3Å; K108-E144 IonicContact NZ-OE2 3.84Å; K108-E144 PolarHBondContact NZ-OE2 3.44Å; A142-E144 VanDerWaalsContact C-N 3.29Å; A142-E144 PolarHBondContact O-N 3.33Å; A142-E144 VanDerWaalsContact O-N 3.09Å
145	N	89.5	Confident	86.1	Confident	19 Å²	19	45.8 Å²	45.8	10%	0.102	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	12.9	-174.4	-66.4	123.9	0	0	0	113.7	R105 L106 F109 A142 H147 M148 L149	R105-N145 PolarHBondContact O-ND2 3.01Å; L106-N145 HydrophobicContact CD2-CB 3.95Å; F109-N145 HydrophobicContact CB-CB 3.95Å; F109-N145 VanDerWaalsContact CB-OD1 3.22Å; F109-N145 WeakPolarHBondContact CB-OD1 3.23Å; F109-N145 PolarHBondContact N-OD1 3.29Å; A142-N145 CarbonylContact O-C 3.59Å; A142-N145 PolarHBondContact O-N 3.21Å; N145-H147 PolarHBondContact O-N 3.47Å; N145-H147 VanDerWaalsContact O-N 3.14Å; N145-M148 PolarHBondContact O-N 3.35Å; N145-L149 PolarHBondContact O-N 3.05Å
146	L	85.3	Confident	85.9	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-51.2	-41.1	-177.5	-177.4	64.5	0	0	0	113.1	V69 Y70 V73 A142 M148 L149 L150	V69-L146 HydrophobicContact CB-CD2 4.16Å; V69-L146 HydrophobicContact CG1-CD1 4.4Å; V69-L146 HydrophobicContact CG1-CD2 3.7Å; V69-L146 HydrophobicContact CG1-CG 4.18Å; Y70-L146 HydrophobicContact CD1-CD1 3.59Å; Y70-L146 HydrophobicContact CD1-CD2 3.96Å; Y70-L146 HydrophobicContact CD1-CG 4.24Å; Y70-L146 HydrophobicContact CD2-CD2 4.19Å; Y70-L146 HydrophobicContact CE1-CB 3.94Å; Y70-L146 HydrophobicContact CE1-CD1 3.77Å; Y70-L146 HydrophobicContact CE1-CD2 3.67Å; Y70-L146 HydrophobicContact CE1-CG 3.99Å; Y70-L146 HydrophobicContact CE2-CD2 3.91Å; Y70-L146 HydrophobicContact CG-CD1 4.26Å; Y70-L146 HydrophobicContact CG-CD2 4.18Å; V73-L146 HydrophobicContact CB-CD1 4.37Å; V73-L146 HydrophobicContact CG2-CD1 3.98Å; A142-L146 PolarHBondContact O-N 3.29Å; L146-M148 PolarHBondContact O-N 3.13Å; L146-L149 PolarHBondContact O-N 3.27Å; L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 3.21Å
147	H	83.6	Confident	86.1	Confident	95 Å²	95	39.2 Å²	39.2	44%	0.44	19%	0.191	S	C	.	.	H	α-helix	trans	-62	-45.2	179.5	179	63.7	0	0	0	112.1	N145 L150 R151	N145-H147 PolarHBondContact O-N 3.47Å; N145-H147 VanDerWaalsContact O-N 3.14Å; H147-L150 PolarHBondContact O-N 3.19Å; H147-R151 WeakPolarHBondContact O-CG 2.97Å; H147-R151 PolarHBondContact O-N 3.35Å; H147-R151 VanDerWaalsContact O-N 3.09Å
148	M	89.2	Confident	86.4	Confident	19 Å²	19	38.7 Å²	38.7	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-45.3	177.7	-174.8	61.1	76.7	0	0	110.7	R105 L106 N145 L146 L150 R151 I152 F157	R105-M148 HydrophobicContact CB-CE 4.03Å; R105-M148 HydrophobicContact CG-CE 4.48Å; L106-M148 HydrophobicContact CD1-CG 4.4Å; L106-M148 HydrophobicContact CD2-CB 3.87Å; L106-M148 HydrophobicContact CD2-CG 3.61Å; L106-M148 HydrophobicContact CG-CG 4.1Å; N145-M148 PolarHBondContact O-N 3.35Å; L146-M148 PolarHBondContact O-N 3.13Å; M148-L150 VanDerWaalsContact C-N 3.3Å; M148-L150 PolarHBondContact O-N 3.05Å; M148-R151 WeakPolarHBondContact O-CB 3.37Å; M148-R151 PolarHBondContact O-N 3.33Å; M148-R151 VanDerWaalsContact O-N 3.12Å; M148-I152 HydrophobicContact CG-CD1 4.17Å; M148-I152 WeakPolarHBondContact O-CG1 3.37Å; M148-I152 PolarHBondContact O-N 3.44Å; M148-F157 HydrophobicContact SD-CE1 4.34Å; M148-F157 HydrophobicContact SD-CZ 4.49Å
149	L	86.3	Confident	86.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-42.2	177.6	-66.5	172	0	0	0	111.7	F109 F138 A142 N145 L146 R151 I152 M153	F109-L149 HydrophobicContact CD2-CD1 3.96Å; F109-L149 HydrophobicContact CE1-CD2 4.23Å; F109-L149 HydrophobicContact CE2-CD1 3.86Å; F109-L149 HydrophobicContact CE2-CD2 4.37Å; F109-L149 HydrophobicContact CZ-CD1 4.44Å; F109-L149 HydrophobicContact CZ-CD2 4.17Å; F138-L149 HydrophobicContact CZ-CD1 4.45Å; A142-L149 HydrophobicContact CB-CD1 3.54Å; N145-L149 PolarHBondContact O-N 3.05Å; L146-L149 PolarHBondContact O-N 3.27Å; L149-R151 PolarHBondContact O-N 3.28Å; L149-I152 WeakPolarHBondContact O-CB 3.46Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-M153 WeakPolarHBondContact O-CG 3.38Å; L149-M153 PolarHBondContact O-N 2.85Å
150	L	83.5	Confident	86.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.3	179.5	67.8	0	0	0	112.3	I40 L41 Y72 V73 L146 H147 M148 I152 M153 T154	I40-L150 HydrophobicContact CG2-CD1 4.1Å; I40-L150 HydrophobicContact CG2-CD2 4.36Å; I40-L150 HydrophobicContact CG2-CG 4.5Å; L41-L150 HydrophobicContact CD1-CD2 4.29Å; L41-L150 HydrophobicContact CD2-CD2 3.26Å; L41-L150 HydrophobicContact CG-CD2 3.4Å; L41-L150 VanDerWaalsContact CG-CD2 3.4Å; Y72-L150 HydrophobicContact CD1-CD1 4.38Å; Y72-L150 HydrophobicContact CE1-CD1 4.48Å; V73-L150 HydrophobicContact CG2-CB 4.13Å; V73-L150 HydrophobicContact CG2-CD1 3.69Å; V73-L150 HydrophobicContact CG2-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 3.21Å; H147-L150 PolarHBondContact O-N 3.19Å; M148-L150 VanDerWaalsContact C-N 3.3Å; M148-L150 PolarHBondContact O-N 3.05Å; L150-I152 VanDerWaalsContact C-N 3.28Å; L150-I152 PolarHBondContact O-N 2.95Å; L150-M153 PolarHBondContact O-N 3.25Å; L150-T154 HydrophobicContact CD1-CG2 4.11Å; L150-T154 WeakPolarHBondContact O-CB 3.36Å; L150-T154 WeakPolarHBondContact O-CG2 3.26Å; L150-T154 PolarHBondContact O-N 3.38Å; L150-T154 VanDerWaalsContact O-N 3.09Å; L150-T154 PolarHBondContact O-OG1 2.86Å
151	R	86.4	Confident	87	Confident	21 Å²	21	34.5 Å²	34.5	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-40.7	176.1	-70.7	-174.3	70.2	-174.3	6.6	111.4	H147 M148 L149 T154 N155 D156 F157 D207	H147-R151 WeakPolarHBondContact O-CG 2.97Å; H147-R151 PolarHBondContact O-N 3.35Å; H147-R151 VanDerWaalsContact O-N 3.09Å; M148-R151 WeakPolarHBondContact O-CB 3.37Å; M148-R151 PolarHBondContact O-N 3.33Å; M148-R151 VanDerWaalsContact O-N 3.12Å; L149-R151 PolarHBondContact O-N 3.28Å; R151-T154 PolarHBondContact O-N 3.35Å; R151-T154 PolarHBondContact O-OG1 3.06Å; R151-N155 PolarHBondContact O-N 3.14Å; R151-D156 VanDerWaalsContact CZ-O 3.32Å; R151-D156 PolarHBondContact NE-O 3.43Å; R151-D156 PolarHBondContact NH2-O 3.02Å; R151-D156 PolarHBondContact O-N 2.66Å; R151-D156 VanDerWaalsContact O-N 3.08Å; R151-F157 HydrophobicContact CB-CE1 3.86Å; R151-F157 HydrophobicContact CB-CE2 4.49Å; R151-F157 HydrophobicContact CB-CZ 3.76Å; R151-D207 IonicContact CZ-OD1 3.59Å; R151-D207 VanDerWaalsContact CZ-OD1 3.26Å; R151-D207 IonicContact NH1-OD1 3.83Å; R151-D207 PolarHBondContact NH1-OD1 3.28Å; R151-D207 IonicContact NH2-OD1 3.05Å; R151-D207 PolarHBondContact NH2-OD1 3.01Å; R151-D207 IonicContact NH2-OD2 3.14Å; R151-D207 PolarHBondContact NH2-OD2 3.07Å; R151-D207 VanDerWaalsContact NH2-OD2 3.08Å
152	I	87.4	Confident	87.4	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-60.1	-50.3	174.3	-64	171.5	0	0	0	110.7	M94 A97 I99 L106 M148 L149 L150 T154 N155 F157	M94-I152 HydrophobicContact CB-CD1 4.32Å; M94-I152 HydrophobicContact CB-CG2 4.35Å; M94-I152 HydrophobicContact CE-CD1 4.42Å; M94-I152 HydrophobicContact CG-CD1 3.77Å; M94-I152 HydrophobicContact CG-CG2 3.98Å; A97-I152 HydrophobicContact CB-CG2 3.98Å; I99-I152 HydrophobicContact CB-CD1 3.96Å; I99-I152 HydrophobicContact CB-CG1 4.32Å; I99-I152 HydrophobicContact CG1-CD1 4.25Å; I99-I152 HydrophobicContact CG1-CG1 4.1Å; I99-I152 HydrophobicContact CG2-CD1 3.9Å; L106-I152 HydrophobicContact CD1-CD1 4.49Å; M148-I152 HydrophobicContact CG-CD1 4.17Å; M148-I152 WeakPolarHBondContact O-CG1 3.37Å; M148-I152 PolarHBondContact O-N 3.44Å; L149-I152 WeakPolarHBondContact O-CB 3.46Å; L149-I152 PolarHBondContact O-N 3.39Å; L150-I152 VanDerWaalsContact C-N 3.28Å; L150-I152 PolarHBondContact O-N 2.95Å; I152-T154 PolarHBondContact O-N 3.04Å; I152-T154 VanDerWaalsContact O-N 3.14Å; I152-N155 PolarHBondContact O-N 2.79Å; I152-N155 PolarHBondContact O-OD1 3.42Å; I152-F157 HydrophobicContact CG1-CE2 4.14Å; I152-F157 HydrophobicContact CG1-CZ 3.77Å
153	M	80.5	Confident	87.6	Confident	32 Å²	32	38.4 Å²	38.4	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-18.8	-178.2	-62.2	-41	124.3	0	0	114.3	V73 L76 V77 L90 L93 L149 L150	V73-M153 HydrophobicContact CG1-CG 4.07Å; L76-M153 HydrophobicContact CD1-CB 4.15Å; V77-M153 HydrophobicContact CG2-CE 4.23Å; V77-M153 HydrophobicContact CG2-CG 3.7Å; V77-M153 HydrophobicContact CG2-SD 3.26Å; V77-M153 WeakPolarHBondContact CG2-SD 3.47Å; L90-M153 HydrophobicContact CD1-CE 3.3Å; L90-M153 HydrophobicContact CD1-SD 4.4Å; L93-M153 HydrophobicContact CB-CE 4.41Å; L93-M153 HydrophobicContact CD1-SD 3.96Å; L149-M153 WeakPolarHBondContact O-CG 3.38Å; L149-M153 PolarHBondContact O-N 2.85Å; L150-M153 PolarHBondContact O-N 3.25Å
154	T	76.2	Confident	87.9	Confident	41 Å²	41	32.6 Å²	32.6	25%	0.252	17%	0.167	S	C	.	.	H	α-helix	trans	-109.8	0.4	-176.7	54.9	0	0	0	0	113.1	I40 L150 R151 I152 D156	I40-T154 HydrophobicContact CD1-CG2 3.99Å; I40-T154 HydrophobicContact CG2-CG2 4.02Å; L150-T154 HydrophobicContact CD1-CG2 4.11Å; L150-T154 WeakPolarHBondContact O-CB 3.36Å; L150-T154 WeakPolarHBondContact O-CG2 3.26Å; L150-T154 PolarHBondContact O-N 3.38Å; L150-T154 VanDerWaalsContact O-N 3.09Å; L150-T154 PolarHBondContact O-OG1 2.86Å; R151-T154 PolarHBondContact O-N 3.35Å; R151-T154 PolarHBondContact O-OG1 3.06Å; I152-T154 PolarHBondContact O-N 3.04Å; I152-T154 VanDerWaalsContact O-N 3.14Å; T154-D156 PolarHBondContact O-N 3.14Å; T154-D156 VanDerWaalsContact O-N 3.15Å
155	N	82.2	Confident	88.3	Confident	75 Å²	75	27 Å²	27	40%	0.401	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	36.2	-171.8	-68.8	-38.1	0	0	0	112.5	R151 I152 F157	R151-N155 PolarHBondContact O-N 3.14Å; I152-N155 PolarHBondContact O-N 2.79Å; I152-N155 PolarHBondContact O-OD1 3.42Å; N155-F157 PolarHBondContact O-N 3.21Å
156	D	84	Confident	88.6	Confident	16 Å²	16	27.3 Å²	27.3	9%	0.086	14%	0.143	C	C	.	.			trans	-83.5	67.5	-179.8	-171.1	34.2	0	0	0	110.4	S37 R151 T154	S37-D156 WeakPolarHBondContact CA-OD2 3.39Å; S37-D156 VanDerWaalsContact CB-OD2 3.25Å; S37-D156 WeakPolarHBondContact CB-OD2 3.48Å; S37-D156 PolarHBondContact N-OD2 3.16Å; S37-D156 VanDerWaalsContact N-OD2 3.07Å; S37-D156 PolarHBondContact OG-OD2 3.04Å; R151-D156 VanDerWaalsContact CZ-O 3.32Å; R151-D156 PolarHBondContact NE-O 3.43Å; R151-D156 PolarHBondContact NH2-O 3.02Å; R151-D156 PolarHBondContact O-N 2.66Å; R151-D156 VanDerWaalsContact O-N 3.08Å; T154-D156 PolarHBondContact O-N 3.14Å; T154-D156 VanDerWaalsContact O-N 3.15Å
157	F	92.8	Very high	89.2	Confident	11 Å²	11	31.8 Å²	31.8	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	-127.1	163.3	178.3	-61.4	-65.1	0	0	0	111.1	A97 I99 M148 R151 I152 N155 I159 P160 D207 Q209	A97-F157 HydrophobicContact CB-CD2 4.44Å; A97-F157 HydrophobicContact CB-CE2 3.93Å; I99-F157 HydrophobicContact CD1-CE1 4.28Å; I99-F157 HydrophobicContact CD1-CZ 4.24Å; I99-F157 HydrophobicContact CG1-CE1 4.34Å; I99-F157 HydrophobicContact CG1-CE2 4.25Å; I99-F157 HydrophobicContact CG1-CZ 3.81Å; M148-F157 HydrophobicContact SD-CE1 4.34Å; M148-F157 HydrophobicContact SD-CZ 4.49Å; R151-F157 HydrophobicContact CB-CE1 3.86Å; R151-F157 HydrophobicContact CB-CE2 4.49Å; R151-F157 HydrophobicContact CB-CZ 3.76Å; I152-F157 HydrophobicContact CG1-CE2 4.14Å; I152-F157 HydrophobicContact CG1-CZ 3.77Å; N155-F157 PolarHBondContact O-N 3.21Å; F157-I159 PolarHBondContact O-N 3.25Å; F157-I159 VanDerWaalsContact O-N 3.17Å; F157-P160 WeakPolarHBondContact O-CD 3.16Å; F157-D207 WeakPolarHBondContact CA-OD2 3.29Å; F157-D207 HydrophobicContact CB-CB 4.4Å; F157-D207 HydrophobicContact CD1-CB 3.66Å; F157-D207 HydrophobicContact CE1-CB 4.43Å; F157-D207 HydrophobicContact CG-CB 4.45Å; F157-Q209 HydrophobicContact CB-CG 4.38Å; F157-Q209 HydrophobicContact CG-CG 4.28Å
158	C	94.6	Very high	89.8	Confident	26 Å²	26	28.9 Å²	28.9	18%	0.176	15%	0.148	C	C	.	.	S	Bend	trans	-58.8	-24.3	176.6	61.8	0	0	0	0	113.2	T205 V206 D207 L433 R481	C158-T205 VanDerWaalsContact SG-CB 3.55Å; C158-V206 HydrophobicContact CB-CG2 3.95Å; C158-D207 WeakPolarHBondContact CB-OD2 3.24Å; C158-D207 PolarHBondContact N-OD2 3.22Å; C158-L433 HydrophobicContact CB-CD1 4.15Å; C158-R481 WeakPolarHBondContact O-CA 3.5Å
159	I	95.5	Very high	90.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.144	C	C	.	.	S	Bend	trans	-122.9	96.5	166.1	-59	-177.9	0	0	0	107.9	F157 F162 F165 T205 Q209 L433 L434 P480	F157-I159 PolarHBondContact O-N 3.25Å; F157-I159 VanDerWaalsContact O-N 3.17Å; I159-F162 HydrophobicContact CB-CD2 4.2Å; I159-F162 HydrophobicContact CG2-CD2 4.02Å; I159-F165 HydrophobicContact CD1-CD1 3.94Å; I159-F165 HydrophobicContact CD1-CD2 4.34Å; I159-F165 HydrophobicContact CD1-CE1 3.8Å; I159-F165 HydrophobicContact CD1-CE2 4.23Å; I159-F165 HydrophobicContact CD1-CG 4.21Å; I159-F165 HydrophobicContact CD1-CZ 3.95Å; I159-F165 HydrophobicContact CG2-CB 3.85Å; I159-F165 HydrophobicContact CG2-CD1 4.27Å; I159-F165 HydrophobicContact CG2-CG 4Å; I159-T205 HydrophobicContact CD1-CG2 3.96Å; I159-T205 HydrophobicContact CG1-CG2 4.47Å; I159-Q209 PolarHBondContact O-NE2 2.96Å; I159-L433 HydrophobicContact CD1-CD1 4.12Å; I159-L433 HydrophobicContact CD1-CG 4.34Å; I159-L433 HydrophobicContact CG1-CD1 3.7Å; I159-L433 HydrophobicContact CG1-CG 4.45Å; I159-L434 HydrophobicContact CD1-CD2 4.01Å; I159-P480 WeakPolarHBondContact CA-O 3.3Å; I159-P480 HydrophobicContact CD1-CB 4.23Å; I159-P480 HydrophobicContact CG1-CB 4.27Å; I159-P480 HydrophobicContact CG2-CB 4.4Å
160	P	90.1	Very high	90.8	Very high	18 Å²	18	31.3 Å²	31.3	12%	0.117	16%	0.159	C	C	.	.	S	Bend	trans	-65.9	-44.1	-175.9	-24.3	34.5	0	0	0	113.6	F157 F162 P483	F157-P160 WeakPolarHBondContact O-CD 3.16Å; P160-F162 PolarHBondContact O-N 3.15Å; P160-P483 HydrophobicContact CB-CG 4.28Å; P160-P483 HydrophobicContact CG-CG 4.49Å
161	D	91.3	Very high	91.5	Very high	52 Å²	52	34.5 Å²	34.5	28%	0.278	18%	0.179	S	C	.	.			trans	-97.6	71.4	178.1	-175.6	0.9	0	0	0	110.1	E163 S164 F165	D161-E163 VanDerWaalsContact C-N 3.29Å; D161-E163 PolarHBondContact O-N 3.43Å; D161-S164 VanDerWaalsContact CG-CB 3.42Å; D161-S164 VanDerWaalsContact CG-OG 3.28Å; D161-S164 WeakPolarHBondContact OD1-CB 3.43Å; D161-S164 PolarHBondContact OD1-N 3.03Å; D161-S164 PolarHBondContact OD1-OG 3.43Å; D161-S164 WeakPolarHBondContact OD2-CB 3.5Å; D161-S164 PolarHBondContact OD2-OG 2.87Å; D161-F165 WeakPolarHBondContact O-CB 3.35Å; D161-F165 PolarHBondContact O-N 3.15Å; D161-F165 VanDerWaalsContact O-N 3.15Å
162	F	95.3	Very high	92.1	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-30.9	-177.2	-162.7	-107.9	0	0	0	112.2	G98 I159 P160 F165 T166 L203 T205 Q209 R210 L211	G98-F162 VanDerWaalsContact CA-CE1 3.48Å; I159-F162 HydrophobicContact CB-CD2 4.2Å; I159-F162 HydrophobicContact CG2-CD2 4.02Å; P160-F162 PolarHBondContact O-N 3.15Å; F162-F165 HydrophobicContact CD2-CD1 4.01Å; F162-F165 AromaticContact CE2-CD1 3.91Å; F162-F165 HydrophobicContact CE2-CD1 3.91Å; F162-F165 HydrophobicContact CE2-CE1 4.22Å; F162-F165 PolarHBondContact O-N 2.86Å; F162-T166 HydrophobicContact CD1-CG2 3.67Å; F162-T166 HydrophobicContact CE1-CG2 3.41Å; F162-T166 VanDerWaalsContact CE1-CG2 3.41Å; F162-T166 HydrophobicContact CE2-CG2 4.37Å; F162-T166 HydrophobicContact CG-CG2 4.28Å; F162-T166 HydrophobicContact CZ-CG2 3.8Å; F162-T166 WeakPolarHBondContact O-CB 3.31Å; F162-T166 VanDerWaalsContact O-CG2 3.23Å; F162-T166 WeakPolarHBondContact O-CG2 3.43Å; F162-T166 PolarHBondContact O-N 2.73Å; F162-T166 PolarHBondContact O-OG1 3.44Å; F162-L203 HydrophobicContact CE2-CD1 4.14Å; F162-L203 HydrophobicContact CZ-CD1 3.98Å; F162-T205 HydrophobicContact CE2-CG2 3.95Å; F162-Q209 HydrophobicContact CD1-CB 4.49Å; F162-Q209 HydrophobicContact CD2-CB 3.84Å; F162-Q209 HydrophobicContact CD2-CG 4.41Å; F162-Q209 HydrophobicContact CE1-CB 4.23Å; F162-Q209 HydrophobicContact CE2-CB 3.56Å; F162-Q209 HydrophobicContact CG-CB 4.3Å; F162-Q209 HydrophobicContact CZ-CB 3.76Å; F162-R210 WeakPolarHBondContact CE1-O 3.44Å; F162-L211 HydrophobicContact CE1-CB 4.46Å; F162-L211 HydrophobicContact CZ-CB 4.23Å
163	E	92.6	Very high	92.6	Very high	80 Å²	80	33.8 Å²	33.8	37%	0.374	18%	0.176	S	C	.	.	H	α-helix	trans	-65.3	-48.3	178.6	-161.5	-163.3	-118.4	0	0	111.7	D161 F165 T166 K167	D161-E163 VanDerWaalsContact C-N 3.29Å; D161-E163 PolarHBondContact O-N 3.43Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.3Å; E163-T166 PolarHBondContact O-N 3.07Å; E163-T166 PolarHBondContact O-OG1 3.33Å; E163-K167 WeakPolarHBondContact O-CG 3.33Å; E163-K167 PolarHBondContact O-N 3.44Å; E163-K167 VanDerWaalsContact O-N 3.16Å; E163-K167 IonicContact OE2-NZ 3.97Å; E163-K167 PolarHBondContact OE2-NZ 3.19Å
164	S	92.3	Very high	93.5	Very high	22 Å²	22	36 Å²	36	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-41	174.2	-68.3	0	0	0	0	111.8	D161 T166 K167 E168	D161-S164 VanDerWaalsContact CG-CB 3.42Å; D161-S164 VanDerWaalsContact CG-OG 3.28Å; D161-S164 WeakPolarHBondContact OD1-CB 3.43Å; D161-S164 PolarHBondContact OD1-N 3.03Å; D161-S164 PolarHBondContact OD1-OG 3.43Å; D161-S164 WeakPolarHBondContact OD2-CB 3.5Å; D161-S164 PolarHBondContact OD2-OG 2.87Å; S164-T166 PolarHBondContact O-N 3.03Å; S164-K167 PolarHBondContact O-N 3.03Å; S164-E168 PolarHBondContact O-N 3.42Å
165	F	95.5	Very high	94.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-48.1	178.2	173.3	-106.5	0	0	0	111.7	I159 D161 F162 E163 K167 E168 I169 L203 L434 F463 P480	I159-F165 HydrophobicContact CD1-CD1 3.94Å; I159-F165 HydrophobicContact CD1-CD2 4.34Å; I159-F165 HydrophobicContact CD1-CE1 3.8Å; I159-F165 HydrophobicContact CD1-CE2 4.23Å; I159-F165 HydrophobicContact CD1-CG 4.21Å; I159-F165 HydrophobicContact CD1-CZ 3.95Å; I159-F165 HydrophobicContact CG2-CB 3.85Å; I159-F165 HydrophobicContact CG2-CD1 4.27Å; I159-F165 HydrophobicContact CG2-CG 4Å; D161-F165 WeakPolarHBondContact O-CB 3.35Å; D161-F165 PolarHBondContact O-N 3.15Å; D161-F165 VanDerWaalsContact O-N 3.15Å; F162-F165 HydrophobicContact CD2-CD1 4.01Å; F162-F165 AromaticContact CE2-CD1 3.91Å; F162-F165 HydrophobicContact CE2-CD1 3.91Å; F162-F165 HydrophobicContact CE2-CE1 4.22Å; F162-F165 PolarHBondContact O-N 2.86Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.3Å; F165-K167 VanDerWaalsContact C-N 3.34Å; F165-K167 PolarHBondContact O-N 3.11Å; F165-E168 PolarHBondContact O-N 3.01Å; F165-I169 HydrophobicContact CD1-CG1 4.31Å; F165-I169 HydrophobicContact CD2-CG1 4.45Å; F165-I169 HydrophobicContact CE1-CD1 4.41Å; F165-I169 HydrophobicContact CE1-CG1 3.87Å; F165-I169 HydrophobicContact CE2-CD1 3.99Å; F165-I169 HydrophobicContact CE2-CG1 4.02Å; F165-I169 HydrophobicContact CZ-CD1 3.77Å; F165-I169 HydrophobicContact CZ-CG1 3.7Å; F165-I169 WeakPolarHBondContact O-CG1 3.34Å; F165-I169 PolarHBondContact O-N 3.36Å; F165-L203 HydrophobicContact CE1-CD1 4.34Å; F165-L203 HydrophobicContact CE1-CD2 3.93Å; F165-L203 HydrophobicContact CZ-CD2 4.4Å; F165-L434 HydrophobicContact CE1-CD2 4.26Å; F165-L434 HydrophobicContact CZ-CD2 3.77Å; F165-F463 HydrophobicContact CD2-CD1 4.48Å; F165-F463 AromaticContact CD2-CE1 3.65Å; F165-F463 HydrophobicContact CD2-CE1 3.65Å; F165-F463 HydrophobicContact CD2-CE2 4.46Å; F165-F463 AromaticContact CD2-CZ 3.61Å; F165-F463 HydrophobicContact CD2-CZ 3.61Å; F165-F463 HydrophobicContact CE2-CD1 4.48Å; F165-F463 AromaticContact CE2-CE1 3.96Å; F165-F463 HydrophobicContact CE2-CE1 3.96Å; F165-F463 HydrophobicContact CE2-CE2 4.15Å; F165-F463 AromaticContact CE2-CZ 3.75Å; F165-F463 HydrophobicContact CE2-CZ 3.75Å; F165-P480 HydrophobicContact CD2-CB 3.85Å; F165-P480 HydrophobicContact CE2-CB 4.14Å
166	T	96.5	Very high	95.3	Very high	24 Å²	24	34 Å²	34	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-35.4	179.6	53.6	0	0	0	0	112.7	F162 E163 S164 E168 I169 Q170 L211	F162-T166 HydrophobicContact CD1-CG2 3.67Å; F162-T166 HydrophobicContact CE1-CG2 3.41Å; F162-T166 VanDerWaalsContact CE1-CG2 3.41Å; F162-T166 HydrophobicContact CE2-CG2 4.37Å; F162-T166 HydrophobicContact CG-CG2 4.28Å; F162-T166 HydrophobicContact CZ-CG2 3.8Å; F162-T166 WeakPolarHBondContact O-CB 3.31Å; F162-T166 VanDerWaalsContact O-CG2 3.23Å; F162-T166 WeakPolarHBondContact O-CG2 3.43Å; F162-T166 PolarHBondContact O-N 2.73Å; F162-T166 PolarHBondContact O-OG1 3.44Å; E163-T166 PolarHBondContact O-N 3.07Å; E163-T166 PolarHBondContact O-OG1 3.33Å; S164-T166 PolarHBondContact O-N 3.03Å; T166-E168 PolarHBondContact O-N 3.35Å; T166-I169 PolarHBondContact O-N 3.4Å; T166-Q170 WeakPolarHBondContact O-CB 3.44Å; T166-Q170 PolarHBondContact O-N 3.12Å; T166-L211 HydrophobicContact CG2-CB 4.05Å; T166-L211 HydrophobicContact CG2-CD1 4.04Å; T166-L211 HydrophobicContact CG2-CD2 3.65Å; T166-L211 HydrophobicContact CG2-CG 4.11Å
167	K	96.8	Very high	95.9	Very high	115 Å²	115	38.3 Å²	38.3	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-41.7	172.8	-73.1	167.4	179.1	164.1	0	112.4	E163 S164 F165 Q170 T171	E163-K167 WeakPolarHBondContact O-CG 3.33Å; E163-K167 PolarHBondContact O-N 3.44Å; E163-K167 VanDerWaalsContact O-N 3.16Å; E163-K167 IonicContact OE2-NZ 3.97Å; E163-K167 PolarHBondContact OE2-NZ 3.19Å; S164-K167 PolarHBondContact O-N 3.03Å; F165-K167 VanDerWaalsContact C-N 3.34Å; F165-K167 PolarHBondContact O-N 3.11Å; K167-Q170 PolarHBondContact O-N 3.44Å; K167-T171 PolarHBondContact O-N 3.4Å; K167-T171 VanDerWaalsContact O-N 3.08Å; K167-T171 PolarHBondContact O-OG1 3.35Å
168	E	96.6	Very high	96.1	Very high	35 Å²	35	44.5 Å²	44.5	16%	0.164	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-42	175	-68.6	-65.1	160.2	0	0	111.5	S164 F165 T166 Q170 T171 V172 R462 F463 I478 R484	S164-E168 PolarHBondContact O-N 3.42Å; F165-E168 PolarHBondContact O-N 3.01Å; T166-E168 PolarHBondContact O-N 3.35Å; E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.33Å; E168-T171 WeakPolarHBondContact O-CB 3.04Å; E168-T171 PolarHBondContact O-N 2.95Å; E168-T171 VanDerWaalsContact O-N 3.17Å; E168-V172 PolarHBondContact O-N 3.22Å; E168-V172 VanDerWaalsContact O-N 3.09Å; E168-R462 IonicContact OE2-NH1 2.71Å; E168-R462 PolarHBondContact OE2-NH1 3.05Å; E168-F463 HydrophobicContact CB-CE2 4.25Å; E168-F463 HydrophobicContact CB-CZ 3.62Å; E168-F463 HydrophobicContact CG-CZ 4.3Å; E168-I478 HydrophobicContact CG-CD1 4.16Å; E168-R484 IonicContact OE1-NH2 2.82Å; E168-R484 PolarHBondContact OE1-NH2 3.14Å
169	I	98.3	Very high	96.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-42.7	173.9	-64.5	-63.8	0	0	0	111.2	F165 T166 T171 V172 F173 L201 L203 L211 M213 F455 L459 F463	F165-I169 HydrophobicContact CD1-CG1 4.31Å; F165-I169 HydrophobicContact CD2-CG1 4.45Å; F165-I169 HydrophobicContact CE1-CD1 4.41Å; F165-I169 HydrophobicContact CE1-CG1 3.87Å; F165-I169 HydrophobicContact CE2-CD1 3.99Å; F165-I169 HydrophobicContact CE2-CG1 4.02Å; F165-I169 HydrophobicContact CZ-CD1 3.77Å; F165-I169 HydrophobicContact CZ-CG1 3.7Å; F165-I169 WeakPolarHBondContact O-CG1 3.34Å; F165-I169 PolarHBondContact O-N 3.36Å; T166-I169 PolarHBondContact O-N 3.4Å; I169-T171 VanDerWaalsContact C-N 3.27Å; I169-T171 PolarHBondContact O-N 3.11Å; I169-V172 PolarHBondContact O-N 3.09Å; I169-F173 WeakPolarHBondContact O-CB 3.42Å; I169-F173 PolarHBondContact O-N 3.32Å; I169-L201 HydrophobicContact CG2-CD1 4.24Å; I169-L201 HydrophobicContact CG2-CD2 4.23Å; I169-L203 HydrophobicContact CG1-CD2 4.35Å; I169-L203 HydrophobicContact CG2-CD2 4.37Å; I169-L211 HydrophobicContact CB-CD2 4.03Å; I169-L211 HydrophobicContact CG2-CD2 3.73Å; I169-M213 HydrophobicContact CG2-CE 4.22Å; I169-M213 HydrophobicContact CG2-SD 4.33Å; I169-F455 HydrophobicContact CD1-CZ 4.39Å; I169-F455 HydrophobicContact CG2-CE2 4.49Å; I169-F455 HydrophobicContact CG2-CZ 4.21Å; I169-L459 HydrophobicContact CD1-CD1 3.43Å; I169-L459 VanDerWaalsContact CD1-CD1 3.43Å; I169-F463 HydrophobicContact CD1-CE2 4.06Å
170	Q	98.3	Very high	96.4	Very high	68 Å²	68	50.8 Å²	50.8	32%	0.318	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-38.7	176.9	-174.6	62.4	74.5	0	0	111.6	T166 K167 E168 F173 N174 M213	T166-Q170 WeakPolarHBondContact O-CB 3.44Å; T166-Q170 PolarHBondContact O-N 3.12Å; K167-Q170 PolarHBondContact O-N 3.44Å; E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.33Å; Q170-F173 PolarHBondContact O-N 3.25Å; Q170-N174 PolarHBondContact NE2-ND2 3.36Å; Q170-N174 PolarHBondContact NE2-OD1 2.82Å; Q170-N174 WeakPolarHBondContact O-CB 3.4Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 3.46Å; Q170-N174 PolarHBondContact O-ND2 2.93Å; Q170-M213 HydrophobicContact CB-CE 3.5Å; Q170-M213 HydrophobicContact CB-SD 4.25Å; Q170-M213 HydrophobicContact CG-CE 4.14Å; Q170-M213 PolarHBondContact OE1-SD 3.37Å
171	T	98.2	Very high	96.7	Very high	68 Å²	68	53 Å²	53	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-47.2	176.5	-59.8	0	0	0	0	110.9	K167 E168 I169 N174 L175	K167-T171 PolarHBondContact O-N 3.4Å; K167-T171 VanDerWaalsContact O-N 3.08Å; K167-T171 PolarHBondContact O-OG1 3.35Å; E168-T171 WeakPolarHBondContact O-CB 3.04Å; E168-T171 PolarHBondContact O-N 2.95Å; E168-T171 VanDerWaalsContact O-N 3.17Å; I169-T171 VanDerWaalsContact C-N 3.27Å; I169-T171 PolarHBondContact O-N 3.11Å; T171-N174 PolarHBondContact O-N 3.09Å; T171-L175 WeakPolarHBondContact O-CB 3.48Å; T171-L175 PolarHBondContact O-N 3.41Å
172	V	98.4	Very high	97	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-42.8	176.2	-179.4	0	0	0	0	111.5	E168 I169 N174 L175 C176 F455 E458 R462	E168-V172 PolarHBondContact O-N 3.22Å; E168-V172 VanDerWaalsContact O-N 3.09Å; I169-V172 PolarHBondContact O-N 3.09Å; V172-N174 VanDerWaalsContact C-N 3.33Å; V172-N174 PolarHBondContact O-N 3.43Å; V172-L175 PolarHBondContact O-N 2.86Å; V172-C176 PolarHBondContact O-N 3.44Å; V172-C176 PolarHBondContact O-SG 3.17Å; V172-F455 HydrophobicContact CB-CD2 4.33Å; V172-F455 HydrophobicContact CB-CE2 4Å; V172-F455 HydrophobicContact CG1-CD2 3.52Å; V172-F455 HydrophobicContact CG1-CE2 3.63Å; V172-F455 HydrophobicContact CG1-CG 4.22Å; V172-F455 HydrophobicContact CG1-CZ 4.42Å; V172-E458 HydrophobicContact CG1-CB 3.44Å; V172-E458 VanDerWaalsContact CG1-CB 3.44Å; V172-E458 HydrophobicContact CG1-CG 4.28Å; V172-E458 HydrophobicContact CG2-CB 4.28Å; V172-R462 VanDerWaalsContact CG2-CD 3.43Å
173	F	98.7	Very high	97.1	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-45.7	178.8	179.5	-89.7	0	0	0	111.7	I169 Q170 C176 K177 W199 L201 M213 F455	I169-F173 WeakPolarHBondContact O-CB 3.42Å; I169-F173 PolarHBondContact O-N 3.32Å; Q170-F173 PolarHBondContact O-N 3.25Å; F173-C176 PolarHBondContact O-N 3.12Å; F173-K177 PolarHBondContact O-N 3.19Å; F173-K177 VanDerWaalsContact O-N 3.13Å; F173-W199 AromaticContact CD1-NE1 3.96Å; F173-W199 AromaticContact CD2-CE2 3.77Å; F173-W199 HydrophobicContact CD2-CZ2 4.1Å; F173-W199 AromaticContact CD2-NE1 3.37Å; F173-W199 AromaticContact CE1-CD1 3.64Å; F173-W199 AromaticContact CE1-NE1 3.86Å; F173-W199 AromaticContact CE2-CD1 3.43Å; F173-W199 VanDerWaalsContact CE2-CD1 3.43Å; F173-W199 HydrophobicContact CE2-CD2 4.03Å; F173-W199 AromaticContact CE2-CE2 3.63Å; F173-W199 AromaticContact CE2-CG 3.92Å; F173-W199 HydrophobicContact CE2-CG 3.92Å; F173-W199 HydrophobicContact CE2-CZ2 4.31Å; F173-W199 AromaticContact CE2-NE1 3.25Å; F173-W199 AromaticContact CG-NE1 3.74Å; F173-W199 HydrophobicContact CZ-CB 4.49Å; F173-W199 AromaticContact CZ-CD1 3.21Å; F173-W199 HydrophobicContact CZ-CD2 4.45Å; F173-W199 AromaticContact CZ-CG 3.85Å; F173-W199 HydrophobicContact CZ-CG 3.85Å; F173-W199 AromaticContact CZ-NE1 3.5Å; F173-W199 WeakPolarHBondContact CZ-O 3.25Å; F173-W199 PolarHBondContact O-NE1 3.17Å; F173-L201 HydrophobicContact CD2-CB 3.7Å; F173-L201 HydrophobicContact CD2-CD1 4.21Å; F173-L201 HydrophobicContact CE2-CB 3.7Å; F173-M213 HydrophobicContact CB-SD 3.86Å; F173-M213 HydrophobicContact CD1-CB 4.34Å; F173-M213 HydrophobicContact CD1-SD 4.3Å; F173-M213 HydrophobicContact CD2-CB 4.1Å; F173-M213 HydrophobicContact CD2-SD 4.29Å; F173-M213 HydrophobicContact CE1-CB 4.21Å; F173-M213 HydrophobicContact CE2-CB 3.95Å; F173-M213 HydrophobicContact CG-CB 4.29Å; F173-M213 HydrophobicContact CG-SD 3.89Å; F173-M213 HydrophobicContact CZ-CB 4Å; F173-F455 HydrophobicContact CB-CE2 4.49Å
174	N	98.5	Very high	97.3	Very high	80 Å²	80	57 Å²	57	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-41.5	178.3	-71.7	-20.5	0	0	0	111.9	Q170 T171 V172 C176 K177	Q170-N174 PolarHBondContact NE2-ND2 3.36Å; Q170-N174 PolarHBondContact NE2-OD1 2.82Å; Q170-N174 WeakPolarHBondContact O-CB 3.4Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 3.46Å; Q170-N174 PolarHBondContact O-ND2 2.93Å; T171-N174 PolarHBondContact O-N 3.09Å; V172-N174 VanDerWaalsContact C-N 3.33Å; V172-N174 PolarHBondContact O-N 3.43Å; N174-C176 VanDerWaalsContact C-N 3.31Å; N174-C176 PolarHBondContact O-N 2.82Å; N174-K177 WeakPolarHBondContact O-CB 3.5Å; N174-K177 PolarHBondContact O-N 2.87Å
175	L	98.3	Very high	97.5	Very high	74 Å²	74	56.3 Å²	56.3	39%	0.387	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-44.4	174.6	177.1	64.4	0	0	0	111.8	T171 V172 K177 E458	T171-L175 WeakPolarHBondContact O-CB 3.48Å; T171-L175 PolarHBondContact O-N 3.41Å; V172-L175 PolarHBondContact O-N 2.86Å; L175-K177 VanDerWaalsContact C-N 3.32Å; L175-K177 PolarHBondContact O-N 3.35Å; L175-E458 HydrophobicContact CD2-CG 4.04Å
176	C	98.3	Very high	97.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-73.9	-22.1	-177.9	-61.5	0	0	0	0	113.1	V172 F173 N174 E178 N179 W199 R451 F455	V172-C176 PolarHBondContact O-N 3.44Å; V172-C176 PolarHBondContact O-SG 3.17Å; F173-C176 PolarHBondContact O-N 3.12Å; N174-C176 VanDerWaalsContact C-N 3.31Å; N174-C176 PolarHBondContact O-N 2.82Å; C176-E178 PolarHBondContact O-N 3.04Å; C176-N179 WeakPolarHBondContact O-CB 3.43Å; C176-N179 PolarHBondContact O-N 3.18Å; C176-N179 VanDerWaalsContact O-N 3.15Å; C176-W199 HydrophobicContact CB-CZ2 3.88Å; C176-R451 WeakPolarHBondContact O-CD 3.49Å; C176-R451 WeakPolarHBondContact O-CG 3.45Å; C176-F455 VanDerWaalsContact SG-CA 3.51Å
177	K	98	Very high	97.4	Very high	106 Å²	106	63.6 Å²	63.6	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-31.7	178.3	-170.6	178.7	179.8	179.4	0	112.6	F173 N174 L175 N179 R451	F173-K177 PolarHBondContact O-N 3.19Å; F173-K177 VanDerWaalsContact O-N 3.13Å; N174-K177 WeakPolarHBondContact O-CB 3.5Å; N174-K177 PolarHBondContact O-N 2.87Å; L175-K177 VanDerWaalsContact C-N 3.32Å; L175-K177 PolarHBondContact O-N 3.35Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.42Å; K177-R451 PolarHBondContact O-NE 3.46Å
178	E	97	Very high	97.3	Very high	141 Å²	141	58.2 Å²	58.2	66%	0.659	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.9	179.8	-62.2	-51.3	128.9	0	0	113.2	C176 K180	C176-E178 PolarHBondContact O-N 3.04Å; E178-K180 PolarHBondContact O-N 2.87Å
179	N	97.9	Very high	97.2	Very high	37 Å²	37	60.1 Å²	60.1	20%	0.198	32%	0.319	C	S	.	.			trans	-72.4	116.5	178.1	-178.1	-4.9	0	0	0	110.7	C176 K177 S181 R451 Q454	C176-N179 WeakPolarHBondContact O-CB 3.43Å; C176-N179 PolarHBondContact O-N 3.18Å; C176-N179 VanDerWaalsContact O-N 3.15Å; K177-N179 VanDerWaalsContact C-N 3.27Å; K177-N179 PolarHBondContact O-N 3.42Å; N179-S181 VanDerWaalsContact OD1-CB 3.3Å; N179-S181 WeakPolarHBondContact OD1-CB 3.28Å; N179-S181 PolarHBondContact OD1-N 2.69Å; N179-S181 PolarHBondContact OD1-OG 3.41Å; N179-R451 HydrophobicContact CB-CG 4.26Å; N179-R451 PolarHBondContact O-NE 2.84Å; N179-R451 PolarHBondContact O-NH2 3.36Å; N179-Q454 PolarHBondContact ND2-OE1 3.01Å
180	K	96.9	Very high	97.2	Very high	122 Å²	122	62 Å²	62	53%	0.53	33%	0.328	S	S	.	.			trans	-107.4	10.6	178.3	-55.3	-55.4	-176.5	-178.7	0	113.4	E178 N197	E178-K180 PolarHBondContact O-N 2.87Å; K180-N197 PolarHBondContact NZ-OD1 3.11Å
181	S	97.5	Very high	97	Very high	64 Å²	64	59 Å²	59	45%	0.448	31%	0.314	S	S	.	.			trans	-71.6	163.7	177.1	68.2	0	0	0	0	112.2	N179 A450	N179-S181 VanDerWaalsContact OD1-CB 3.3Å; N179-S181 WeakPolarHBondContact OD1-CB 3.28Å; N179-S181 PolarHBondContact OD1-N 2.69Å; N179-S181 PolarHBondContact OD1-OG 3.41Å; S181-A450 VanDerWaalsContact O-CB 3.31Å; S181-A450 WeakPolarHBondContact O-CB 3.43Å; S181-A450 WeakPolarHBondContact OG-CB 3.47Å
182	G	97	Very high	96.9	Very high	35 Å²	35	62.6 Å²	62.6	36%	0.361	32%	0.324	S	S	.	.	S	Bend	trans	89.1	175.9	-176	0	0	0	0	0	113.2	I443	G182-I443 CarbonylContact C-O 3.05Å; G182-I443 WeakPolarHBondContact CA-O 3.36Å
183	Q	97.7	Very high	96.8	Very high	158 Å²	158	70.4 Å²	70.4	74%	0.738	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.3	178.3	-65.7	-177.1	4.4	0	0	109.7	P442 I443	Q183-P442 WeakPolarHBondContact O-CA 3.38Å; Q183-I443 PolarHBondContact N-O 3.27Å; Q183-I443 WeakPolarHBondContact O-CG1 3.37Å; Q183-I443 PolarHBondContact O-N 3.23Å
184	V	97.5	Very high	96.7	Very high	29 Å²	29	72.1 Å²	72.1	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	137.2	175.5	-179.2	0	0	0	0	109	S186 L191 M194 P196 P441 P442	V184-S186 PolarHBondContact O-N 3.37Å; V184-L191 WeakPolarHBondContact CG1-O 3.48Å; V184-M194 HydrophobicContact CG1-CB 4.15Å; V184-P196 HydrophobicContact CG2-CB 3.74Å; V184-P441 HydrophobicContact CG1-CB 4.27Å; V184-P441 HydrophobicContact CG2-CB 4.17Å; V184-P442 HydrophobicContact CG2-CG 4.3Å
185	A	96.1	Very high	96.6	Very high	9 Å²	9	71.3 Å²	71.3	7%	0.074	37%	0.365	C	S	.	.			trans	-58.4	126.7	175.6	0	0	0	0	0	110.3	Y187 L191 K192 V422 I443	A185-Y187 HydrophobicContact CB-CD1 4.41Å; A185-Y187 HydrophobicContact CB-CE1 4.26Å; A185-L191 HydrophobicContact CB-CB 4.17Å; A185-L191 HydrophobicContact CB-CD1 4.05Å; A185-L191 CarbonylContact O-C 3.49Å; A185-L191 VanDerWaalsContact O-CB 3.3Å; A185-L191 WeakPolarHBondContact O-CB 3.42Å; A185-K192 WeakPolarHBondContact O-CA 3.48Å; A185-K192 PolarHBondContact O-N 2.95Å; A185-K192 VanDerWaalsContact O-N 3.1Å; A185-V422 WeakPolarHBondContact CB-O 3.34Å; A185-I443 HydrophobicContact CB-CD1 3.97Å
186	S	95	Very high	96.6	Very high	79 Å²	79	70.9 Å²	70.9	55%	0.552	37%	0.366	S	S	*	.			trans	-125.9	12.1	-168.3	69.8	0	0	0	0	114.7	V184 I188	V184-S186 PolarHBondContact O-N 3.37Å; S186-I188 VanDerWaalsContact C-N 3.33Å
187	Y	93.7	Very high	96.6	Very high	106 Å²	106	75.3 Å²	75.3	42%	0.416	39%	0.39	S	S	.	.	S	Bend	trans	-78.8	-18.8	-176.4	68.5	-89.7	0	0	0	113.1	A185 L191 E319 V422	A185-Y187 HydrophobicContact CB-CD1 4.41Å; A185-Y187 HydrophobicContact CB-CE1 4.26Å; Y187-L191 HydrophobicContact CE1-CD1 3.68Å; Y187-L191 WeakPolarHBondContact OH-CD1 3.33Å; Y187-E319 PolarHBondContact OH-OE1 3.37Å; Y187-V422 HydrophobicContact CE1-CB 4.48Å; Y187-V422 HydrophobicContact CE1-CG2 4.26Å; Y187-V422 WeakPolarHBondContact OH-CG2 3.49Å
188	I	95.2	Very high	96.6	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.01	38%	0.381	C	S	.	.	S	Bend	trans	-126.1	149.9	165.5	56	172.2	0	0	0	110.2	S186 E190 L191 K192 V315 E319 T322	S186-I188 VanDerWaalsContact C-N 3.33Å; I188-E190 VanDerWaalsContact C-N 3.34Å; I188-E190 PolarHBondContact O-N 3.46Å; I188-L191 HydrophobicContact CD1-CD1 3.9Å; I188-L191 HydrophobicContact CD1-CG 3.79Å; I188-L191 HydrophobicContact CG1-CB 3.98Å; I188-L191 HydrophobicContact CG1-CD1 3.78Å; I188-L191 HydrophobicContact CG1-CG 3.7Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-K192 PolarHBondContact O-N 3.42Å; I188-V315 HydrophobicContact CD1-CG1 3.95Å; I188-E319 HydrophobicContact CD1-CG 3.93Å; I188-E319 WeakPolarHBondContact CD1-OE1 3.38Å; I188-T322 HydrophobicContact CG2-CG2 4.1Å; I188-T322 WeakPolarHBondContact CG2-OG1 3.42Å
189	P	95.6	Very high	96.7	Very high	75 Å²	75	67.1 Å²	67.1	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-56.7	-43.4	-177	-25.5	35	0	0	0	113.7	L191 K192 E193	P189-L191 VanDerWaalsContact C-N 3.32Å; P189-L191 PolarHBondContact O-N 3.21Å; P189-K192 WeakPolarHBondContact O-CB 3.46Å; P189-K192 PolarHBondContact O-N 3.49Å; P189-E193 WeakPolarHBondContact O-CG 3.28Å; P189-E193 PolarHBondContact O-N 3.28Å
190	E	96.9	Very high	96.7	Very high	41 Å²	41	65.3 Å²	65.3	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-33.8	-172.7	-61	80.6	180	0	0	112.4	I188 A314 V315 S318	I188-E190 VanDerWaalsContact C-N 3.34Å; I188-E190 PolarHBondContact O-N 3.46Å; E190-A314 HydrophobicContact CG-CB 3.98Å; E190-V315 HydrophobicContact CB-CG2 3.57Å; E190-V315 HydrophobicContact CG-CG2 3.95Å; E190-S318 VanDerWaalsContact CD-OG 3.27Å; E190-S318 PolarHBondContact OE1-OG 2.84Å; E190-S318 VanDerWaalsContact OE2-CB 3.23Å; E190-S318 WeakPolarHBondContact OE2-CB 3.21Å; E190-S318 PolarHBondContact OE2-OG 3.44Å; E190-S318 VanDerWaalsContact OE2-OG 3.07Å
191	L	95.1	Very high	96.8	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-74.8	-37.4	172.8	-67.7	-179.6	0	0	0	111.3	V184 A185 Y187 I188 P189 E193 M194 V422	V184-L191 WeakPolarHBondContact CG1-O 3.48Å; A185-L191 HydrophobicContact CB-CB 4.17Å; A185-L191 HydrophobicContact CB-CD1 4.05Å; A185-L191 CarbonylContact O-C 3.49Å; A185-L191 VanDerWaalsContact O-CB 3.3Å; A185-L191 WeakPolarHBondContact O-CB 3.42Å; Y187-L191 HydrophobicContact CE1-CD1 3.68Å; Y187-L191 WeakPolarHBondContact OH-CD1 3.33Å; I188-L191 HydrophobicContact CD1-CD1 3.9Å; I188-L191 HydrophobicContact CD1-CG 3.79Å; I188-L191 HydrophobicContact CG1-CB 3.98Å; I188-L191 HydrophobicContact CG1-CD1 3.78Å; I188-L191 HydrophobicContact CG1-CG 3.7Å; I188-L191 PolarHBondContact O-N 3.15Å; P189-L191 VanDerWaalsContact C-N 3.32Å; P189-L191 PolarHBondContact O-N 3.21Å; L191-E193 PolarHBondContact O-N 3.17Å; L191-M194 WeakPolarHBondContact O-CB 3.13Å; L191-M194 WeakPolarHBondContact O-CG 3.1Å; L191-M194 PolarHBondContact O-N 3.18Å; L191-V422 HydrophobicContact CD1-CG2 4.25Å
192	K	96	Very high	96.9	Very high	143 Å²	143	56.7 Å²	56.7	62%	0.622	30%	0.296	S	S	*	.	H	α-helix	trans	-62.3	-33.5	-179.7	-171.2	-178.1	174.1	-175.6	0	112.3	A185 I188 P189 M194	A185-K192 WeakPolarHBondContact O-CA 3.48Å; A185-K192 PolarHBondContact O-N 2.95Å; A185-K192 VanDerWaalsContact O-N 3.1Å; I188-K192 PolarHBondContact O-N 3.42Å; P189-K192 WeakPolarHBondContact O-CB 3.46Å; P189-K192 PolarHBondContact O-N 3.49Å; K192-M194 VanDerWaalsContact C-N 3.25Å; K192-M194 PolarHBondContact O-N 3.24Å
193	E	95.2	Very high	96.9	Very high	164 Å²	164	55 Å²	55	77%	0.766	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-9.7	-178.9	-71.7	179.1	173.1	0	0	113.8	P189 L191 N195	P189-E193 WeakPolarHBondContact O-CG 3.28Å; P189-E193 PolarHBondContact O-N 3.28Å; L191-E193 PolarHBondContact O-N 3.17Å; E193-N195 PolarHBondContact O-N 2.85Å
194	M	96.3	Very high	97	Very high	45 Å²	45	47.5 Å²	47.5	22%	0.222	24%	0.244	C	C	.	.	S	Bend	trans	-63.2	133.3	178.1	-70.2	-68.9	173.2	0	0	111.8	V184 L191 K192 P196 W439 P441	V184-M194 HydrophobicContact CG1-CB 4.15Å; L191-M194 WeakPolarHBondContact O-CB 3.13Å; L191-M194 WeakPolarHBondContact O-CG 3.1Å; L191-M194 PolarHBondContact O-N 3.18Å; K192-M194 VanDerWaalsContact C-N 3.25Å; K192-M194 PolarHBondContact O-N 3.24Å; M194-P196 WeakPolarHBondContact O-CD 3.31Å; M194-W439 HydrophobicContact SD-CZ2 4.34Å; M194-P441 HydrophobicContact CB-CB 4.01Å; M194-P441 HydrophobicContact CB-CG 4.03Å
195	N	97.7	Very high	97	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.342	24%	0.235	S	C	.	.			trans	-65.1	120.2	179.5	-174.9	-18.6	0	0	0	110.4	E193 N197 Y198	E193-N195 PolarHBondContact O-N 2.85Å; N195-N197 PolarHBondContact O-N 2.87Å; N195-N197 WeakPolarHBondContact OD1-CB 3.41Å; N195-N197 PolarHBondContact OD1-N 3.29Å; N195-Y198 HydrophobicContact CB-CD1 4.12Å; N195-Y198 HydrophobicContact CB-CD2 3.67Å; N195-Y198 HydrophobicContact CB-CE1 3.94Å; N195-Y198 HydrophobicContact CB-CE2 3.5Å; N195-Y198 HydrophobicContact CB-CG 3.98Å; N195-Y198 PolarHBondContact O-N 2.9Å; N195-Y198 VanDerWaalsContact O-N 3.11Å
196	P	97.8	Very high	97.1	Very high	64 Å²	64	46.6 Å²	46.6	42%	0.416	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.1	-179.8	26	-35.5	0	0	0	113.6	V184 M194 P442	V184-P196 HydrophobicContact CG2-CB 3.74Å; M194-P196 WeakPolarHBondContact O-CD 3.31Å; P196-P442 HydrophobicContact CB-CG 4Å; P196-P442 WeakPolarHBondContact O-CG 3.21Å
197	N	98	Very high	97.3	Very high	94 Å²	94	43.9 Å²	43.9	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.9	178.2	-70.4	-54.1	0	0	0	113.9	K180 N195 W199 R451	K180-N197 PolarHBondContact NZ-OD1 3.11Å; N195-N197 PolarHBondContact O-N 2.87Å; N195-N197 WeakPolarHBondContact OD1-CB 3.41Å; N195-N197 PolarHBondContact OD1-N 3.29Å; N197-W199 PolarHBondContact O-N 3.06Å; N197-R451 PolarHBondContact O-NH1 3.04Å
198	Y	98.5	Very high	97.5	Very high	69 Å²	69	38.9 Å²	38.9	27%	0.271	20%	0.197	S	C	.	.			trans	-57.6	132.6	179.2	-68.7	-33.5	0	0	0	112	N195 D215 I218 W439 S440 R451	N195-Y198 HydrophobicContact CB-CD1 4.12Å; N195-Y198 HydrophobicContact CB-CD2 3.67Å; N195-Y198 HydrophobicContact CB-CE1 3.94Å; N195-Y198 HydrophobicContact CB-CE2 3.5Å; N195-Y198 HydrophobicContact CB-CG 3.98Å; N195-Y198 PolarHBondContact O-N 2.9Å; N195-Y198 VanDerWaalsContact O-N 3.11Å; Y198-D215 VanDerWaalsContact CA-OD2 3.28Å; Y198-D215 WeakPolarHBondContact CA-OD2 3.43Å; Y198-D215 HydrophobicContact CD1-CB 4.38Å; Y198-I218 HydrophobicContact CD1-CD1 3.85Å; Y198-I218 HydrophobicContact CE1-CD1 3.57Å; Y198-I218 HydrophobicContact CE2-CD1 4.31Å; Y198-I218 HydrophobicContact CG-CD1 4.38Å; Y198-W439 AromaticContact CD2-CH2 3.4Å; Y198-W439 HydrophobicContact CD2-CH2 3.4Å; Y198-W439 HydrophobicContact CD2-CZ2 4.21Å; Y198-W439 AromaticContact CD2-CZ3 3.98Å; Y198-W439 HydrophobicContact CD2-CZ3 3.98Å; Y198-W439 HydrophobicContact CE2-CH2 4.18Å; Y198-W439 AromaticContact CG-CH2 3.86Å; Y198-W439 HydrophobicContact CG-CH2 3.86Å; Y198-W439 AromaticContact CG-CZ3 3.95Å; Y198-W439 HydrophobicContact CG-CZ3 3.95Å; Y198-S440 PolarHBondContact O-OG 2.92Å; Y198-R451 PolarHBondContact O-NH1 2.91Å
199	W	98.7	Very high	97.6	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.019	20%	0.196	C	C	.	.			trans	-146.8	102.9	178.2	-174.1	-139.9	0	0	0	110	F173 C176 N197 G214 D215 V438 W439 R451 F455	F173-W199 AromaticContact CD1-NE1 3.96Å; F173-W199 AromaticContact CD2-CE2 3.77Å; F173-W199 HydrophobicContact CD2-CZ2 4.1Å; F173-W199 AromaticContact CD2-NE1 3.37Å; F173-W199 AromaticContact CE1-CD1 3.64Å; F173-W199 AromaticContact CE1-NE1 3.86Å; F173-W199 AromaticContact CE2-CD1 3.43Å; F173-W199 VanDerWaalsContact CE2-CD1 3.43Å; F173-W199 HydrophobicContact CE2-CD2 4.03Å; F173-W199 AromaticContact CE2-CE2 3.63Å; F173-W199 AromaticContact CE2-CG 3.92Å; F173-W199 HydrophobicContact CE2-CG 3.92Å; F173-W199 HydrophobicContact CE2-CZ2 4.31Å; F173-W199 AromaticContact CE2-NE1 3.25Å; F173-W199 AromaticContact CG-NE1 3.74Å; F173-W199 HydrophobicContact CZ-CB 4.49Å; F173-W199 AromaticContact CZ-CD1 3.21Å; F173-W199 HydrophobicContact CZ-CD2 4.45Å; F173-W199 AromaticContact CZ-CG 3.85Å; F173-W199 HydrophobicContact CZ-CG 3.85Å; F173-W199 AromaticContact CZ-NE1 3.5Å; F173-W199 WeakPolarHBondContact CZ-O 3.25Å; F173-W199 PolarHBondContact O-NE1 3.17Å; C176-W199 HydrophobicContact CB-CZ2 3.88Å; N197-W199 PolarHBondContact O-N 3.06Å; W199-G214 WeakPolarHBondContact O-CA 3.27Å; W199-D215 PolarHBondContact N-OD2 2.99Å; W199-D215 PolarHBondContact O-N 2.79Å; W199-V438 HydrophobicContact CH2-CB 3.87Å; W199-V438 HydrophobicContact CH2-CG1 4.06Å; W199-V438 HydrophobicContact CZ3-CB 3.95Å; W199-W439 WeakPolarHBondContact CA-O 3.49Å; W199-W439 VanDerWaalsContact CE3-O 3.28Å; W199-R451 HydrophobicContact CD2-CB 4.33Å; W199-R451 HydrophobicContact CE3-CB 3.91Å; W199-R451 HydrophobicContact CH2-CB 3.85Å; W199-R451 HydrophobicContact CZ2-CB 4.26Å; W199-R451 HydrophobicContact CZ3-CB 3.65Å; W199-F455 HydrophobicContact CH2-CB 4.07Å; W199-F455 HydrophobicContact CH2-CG 4.46Å; W199-F455 HydrophobicContact CZ2-CB 4.28Å; W199-F455 HydrophobicContact CZ2-CD2 4.16Å; W199-F455 HydrophobicContact CZ2-CG 4.48Å
200	G	98.7	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146	178.3	0	0	0	0	0	111.9	V438 W439	G200-V438 WeakPolarHBondContact O-CA 3.47Å; G200-W439 PolarHBondContact N-O 3Å; G200-W439 PolarHBondContact O-N 3.3Å
201	L	98.8	Very high	97.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.8	169.4	176.2	150.9	0	0	0	109.4	I169 F173 S212 M213 S216 A437 V438 F455	I169-L201 HydrophobicContact CG2-CD1 4.24Å; I169-L201 HydrophobicContact CG2-CD2 4.23Å; F173-L201 HydrophobicContact CD2-CB 3.7Å; F173-L201 HydrophobicContact CD2-CD1 4.21Å; F173-L201 HydrophobicContact CE2-CB 3.7Å; L201-S212 CarbonylContact O-C 3.53Å; L201-S212 WeakPolarHBondContact O-CA 3.41Å; L201-M213 HydrophobicContact CB-CB 4.49Å; L201-M213 PolarHBondContact N-O 3.44Å; L201-M213 PolarHBondContact O-N 3.37Å; L201-S216 WeakPolarHBondContact O-CB 3.5Å; L201-A437 WeakPolarHBondContact CA-O 3.37Å; L201-V438 HydrophobicContact CB-CG1 4.33Å; L201-V438 HydrophobicContact CD1-CG1 3.78Å; L201-V438 HydrophobicContact CG-CG1 4.11Å; L201-F455 HydrophobicContact CD1-CD1 4.44Å; L201-F455 HydrophobicContact CD1-CD2 4.08Å; L201-F455 HydrophobicContact CD1-CE1 3.75Å; L201-F455 HydrophobicContact CD1-CE2 3.33Å; L201-F455 HydrophobicContact CD1-CZ 3.16Å
202	S	98.8	Very high	97.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145.7	161.2	-168	0	0	0	0	110.7	L211 S212 C362 E363 L436 A437	S202-L211 CarbonylContact C-O 3.43Å; S202-L211 VanDerWaalsContact CA-O 3.25Å; S202-L211 WeakPolarHBondContact CA-O 3.5Å; S202-L211 PolarHBondContact OG-O 3.27Å; S202-S212 PolarHBondContact OG-OG 2.9Å; S202-C362 VanDerWaalsContact CB-C 3.46Å; S202-C362 WeakPolarHBondContact CB-O 3.44Å; S202-E363 WeakPolarHBondContact OG-CA 3.49Å; S202-L436 CarbonylContact O-C 3.57Å; S202-L436 WeakPolarHBondContact O-CA 3.3Å; S202-L436 WeakPolarHBondContact O-CB 3.15Å; S202-A437 PolarHBondContact N-O 3.28Å; S202-A437 PolarHBondContact O-N 2.76Å
203	L	98.4	Very high	98.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.7	174.5	69.9	87.1	0	0	0	111.3	F162 F165 I169 T205 R210 L211 G435 L436	F162-L203 HydrophobicContact CE2-CD1 4.14Å; F162-L203 HydrophobicContact CZ-CD1 3.98Å; F165-L203 HydrophobicContact CE1-CD1 4.34Å; F165-L203 HydrophobicContact CE1-CD2 3.93Å; F165-L203 HydrophobicContact CZ-CD2 4.4Å; I169-L203 HydrophobicContact CG1-CD2 4.35Å; I169-L203 HydrophobicContact CG2-CD2 4.37Å; L203-T205 HydrophobicContact CD1-CG2 4.35Å; L203-R210 WeakPolarHBondContact O-CA 3.36Å; L203-L211 HydrophobicContact CD1-CB 4.2Å; L203-L211 HydrophobicContact CD2-CB 4.19Å; L203-L211 HydrophobicContact CD2-CD2 3.96Å; L203-L211 HydrophobicContact CG-CB 3.92Å; L203-L211 PolarHBondContact N-O 3.43Å; L203-L211 PolarHBondContact O-N 3.36Å; L203-G435 CarbonylContact C-O 3.43Å; L203-G435 VanDerWaalsContact CA-O 3.31Å; L203-G435 WeakPolarHBondContact CA-O 3.44Å; L203-L436 HydrophobicContact CB-CB 3.56Å
204	C	98.7	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.6	174	-174.3	0	0	0	0	108.7	Q209 R210 I367 L434 G435	C204-Q209 CarbonylContact C-O 3.53Å; C204-Q209 WeakPolarHBondContact CA-O 3.49Å; C204-R210 HydrophobicContact CB-CG 4.24Å; C204-I367 HydrophobicContact CB-CB 4.43Å; C204-I367 HydrophobicContact CB-CG1 3.86Å; C204-L434 WeakPolarHBondContact O-CA 3.15Å; C204-G435 PolarHBondContact N-O 3.13Å; C204-G435 PolarHBondContact O-N 3.43Å
205	T	98.8	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	165	175.7	75.2	0	0	0	0	111.2	C158 I159 F162 L203 D207 G208 Q209 P379 L433 L434	C158-T205 VanDerWaalsContact SG-CB 3.55Å; I159-T205 HydrophobicContact CD1-CG2 3.96Å; I159-T205 HydrophobicContact CG1-CG2 4.47Å; F162-T205 HydrophobicContact CE2-CG2 3.95Å; L203-T205 HydrophobicContact CD1-CG2 4.35Å; T205-D207 PolarHBondContact O-N 3.36Å; T205-D207 VanDerWaalsContact O-N 3.09Å; T205-D207 PolarHBondContact OG1-N 2.69Å; T205-G208 PolarHBondContact O-N 3.47Å; T205-G208 PolarHBondContact OG1-N 2.97Å; T205-Q209 HydrophobicContact CG2-CB 3.8Å; T205-Q209 HydrophobicContact CG2-CG 4.49Å; T205-Q209 PolarHBondContact N-O 2.99Å; T205-Q209 VanDerWaalsContact OG1-CB 3.29Å; T205-Q209 WeakPolarHBondContact OG1-CB 3.42Å; T205-Q209 WeakPolarHBondContact OG1-CG 3.34Å; T205-Q209 PolarHBondContact OG1-N 2.93Å; T205-Q209 PolarHBondContact OG1-OE1 3.46Å; T205-P379 VanDerWaalsContact O-CB 3.27Å; T205-P379 WeakPolarHBondContact O-CB 3.49Å; T205-P379 WeakPolarHBondContact O-CG 3.41Å; T205-L433 CarbonylContact C-O 3.56Å; T205-L433 VanDerWaalsContact CA-O 3.31Å; T205-L433 WeakPolarHBondContact CA-O 3.28Å; T205-L433 WeakPolarHBondContact CB-O 3.27Å; T205-L434 HydrophobicContact CG2-CB 4.1Å
206	V	98.3	Very high	98.3	Very high	19 Å²	19	25.7 Å²	25.7	12%	0.115	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.5	175	-62.6	0	0	0	0	113	C158 A373 N374 L433	C158-V206 HydrophobicContact CB-CG2 3.95Å; V206-A373 HydrophobicContact CG1-CB 3.97Å; V206-N374 HydrophobicContact CB-CB 4.02Å; V206-N374 HydrophobicContact CG1-CB 3.76Å; V206-L433 PolarHBondContact N-O 3.39Å
207	D	97.5	Very high	98.3	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.118	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-0.6	174	-78.4	-46.1	0	0	0	114.3	R105 R151 F157 C158 T205	R105-D207 VanDerWaalsContact CZ-O 3.27Å; R105-D207 PolarHBondContact NH1-O 2.89Å; R105-D207 PolarHBondContact NH2-O 3.46Å; R151-D207 IonicContact CZ-OD1 3.59Å; R151-D207 VanDerWaalsContact CZ-OD1 3.26Å; R151-D207 IonicContact NH1-OD1 3.83Å; R151-D207 PolarHBondContact NH1-OD1 3.28Å; R151-D207 IonicContact NH2-OD1 3.05Å; R151-D207 PolarHBondContact NH2-OD1 3.01Å; R151-D207 IonicContact NH2-OD2 3.14Å; R151-D207 PolarHBondContact NH2-OD2 3.07Å; R151-D207 VanDerWaalsContact NH2-OD2 3.08Å; F157-D207 WeakPolarHBondContact CA-OD2 3.29Å; F157-D207 HydrophobicContact CB-CB 4.4Å; F157-D207 HydrophobicContact CD1-CB 3.66Å; F157-D207 HydrophobicContact CE1-CB 4.43Å; F157-D207 HydrophobicContact CG-CB 4.45Å; C158-D207 WeakPolarHBondContact CB-OD2 3.24Å; C158-D207 PolarHBondContact N-OD2 3.22Å; T205-D207 PolarHBondContact O-N 3.36Å; T205-D207 VanDerWaalsContact O-N 3.09Å; T205-D207 PolarHBondContact OG1-N 2.69Å
208	G	97.6	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.			trans	83.2	16.3	179.9	0	0	0	0	0	114.7	T205	T205-G208 PolarHBondContact O-N 3.47Å; T205-G208 PolarHBondContact OG1-N 2.97Å
209	Q	98.4	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.			trans	-70.6	132	169	-51.4	168	-75.1	0	0	108.5	A97 G98 I99 F157 I159 F162 C204 T205	A97-Q209 WeakPolarHBondContact O-CG 3.43Å; A97-Q209 PolarHBondContact O-NE2 3.37Å; G98-Q209 CarbonylContact O-C 3.51Å; G98-Q209 VanDerWaalsContact O-CA 3.26Å; G98-Q209 WeakPolarHBondContact O-CA 3.45Å; I99-Q209 HydrophobicContact CD1-CG 3.96Å; F157-Q209 HydrophobicContact CB-CG 4.38Å; F157-Q209 HydrophobicContact CG-CG 4.28Å; I159-Q209 PolarHBondContact O-NE2 2.96Å; F162-Q209 HydrophobicContact CD1-CB 4.49Å; F162-Q209 HydrophobicContact CD2-CB 3.84Å; F162-Q209 HydrophobicContact CD2-CG 4.41Å; F162-Q209 HydrophobicContact CE1-CB 4.23Å; F162-Q209 HydrophobicContact CE2-CB 3.56Å; F162-Q209 HydrophobicContact CG-CB 4.3Å; F162-Q209 HydrophobicContact CZ-CB 3.76Å; C204-Q209 CarbonylContact C-O 3.53Å; C204-Q209 WeakPolarHBondContact CA-O 3.49Å; T205-Q209 HydrophobicContact CG2-CB 3.8Å; T205-Q209 HydrophobicContact CG2-CG 4.49Å; T205-Q209 PolarHBondContact N-O 2.99Å; T205-Q209 VanDerWaalsContact OG1-CB 3.29Å; T205-Q209 WeakPolarHBondContact OG1-CB 3.42Å; T205-Q209 WeakPolarHBondContact OG1-CG 3.34Å; T205-Q209 PolarHBondContact OG1-N 2.93Å; T205-Q209 PolarHBondContact OG1-OE1 3.46Å
210	R	98.3	Very high	98.3	Very high	55 Å²	55	24.3 Å²	24.3	21%	0.208	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.7	-171.9	-67.6	-174.9	-60.6	-174.2	3.8	112.9	G98 N102 F162 L203 C204	G98-R210 PolarHBondContact O-N 2.89Å; N102-R210 PolarHBondContact OD1-NH2 3.07Å; F162-R210 WeakPolarHBondContact CE1-O 3.44Å; L203-R210 WeakPolarHBondContact O-CA 3.36Å; C204-R210 HydrophobicContact CB-CG 4.24Å
211	L	98.1	Very high	98.2	Very high	30 Å²	30	24.4 Å²	24.4	16%	0.157	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.3	171.4	169.5	71.7	0	0	0	108.5	F162 T166 I169 S202 L203 M213	F162-L211 HydrophobicContact CE1-CB 4.46Å; F162-L211 HydrophobicContact CZ-CB 4.23Å; T166-L211 HydrophobicContact CG2-CB 4.05Å; T166-L211 HydrophobicContact CG2-CD1 4.04Å; T166-L211 HydrophobicContact CG2-CD2 3.65Å; T166-L211 HydrophobicContact CG2-CG 4.11Å; I169-L211 HydrophobicContact CB-CD2 4.03Å; I169-L211 HydrophobicContact CG2-CD2 3.73Å; S202-L211 CarbonylContact C-O 3.43Å; S202-L211 VanDerWaalsContact CA-O 3.25Å; S202-L211 WeakPolarHBondContact CA-O 3.5Å; S202-L211 PolarHBondContact OG-O 3.27Å; L203-L211 HydrophobicContact CD1-CB 4.2Å; L203-L211 HydrophobicContact CD2-CB 4.19Å; L203-L211 HydrophobicContact CD2-CD2 3.96Å; L203-L211 HydrophobicContact CG-CB 3.92Å; L203-L211 PolarHBondContact N-O 3.43Å; L203-L211 PolarHBondContact O-N 3.36Å; L211-M213 HydrophobicContact CD1-CE 3.69Å; L211-M213 HydrophobicContact CD1-CG 4.34Å; L211-M213 HydrophobicContact CD2-CE 3.33Å; L211-M213 HydrophobicContact CD2-SD 4.35Å; L211-M213 HydrophobicContact CG-CE 3.82Å; L211-M213 HydrophobicContact CG-CG 4.39Å
212	S	98.3	Very high	98.2	Very high	44 Å²	44	24.3 Å²	24.3	31%	0.308	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.3	175	-67.7	0	0	0	0	109.4	L201 S202 E363	L201-S212 CarbonylContact O-C 3.53Å; L201-S212 WeakPolarHBondContact O-CA 3.41Å; S202-S212 PolarHBondContact OG-OG 2.9Å; S212-E363 VanDerWaalsContact CB-OE1 3.26Å; S212-E363 WeakPolarHBondContact CB-OE1 3.38Å; S212-E363 WeakPolarHBondContact OG-CG 3.32Å; S212-E363 PolarHBondContact OG-OE1 3.15Å
213	M	98.4	Very high	98.2	Very high	15 Å²	15	24.5 Å²	24.5	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.8	-178.2	-66.3	176.3	179	0	0	111.3	I169 Q170 F173 L201 L211	I169-M213 HydrophobicContact CG2-CE 4.22Å; I169-M213 HydrophobicContact CG2-SD 4.33Å; Q170-M213 HydrophobicContact CB-CE 3.5Å; Q170-M213 HydrophobicContact CB-SD 4.25Å; Q170-M213 HydrophobicContact CG-CE 4.14Å; Q170-M213 PolarHBondContact OE1-SD 3.37Å; F173-M213 HydrophobicContact CB-SD 3.86Å; F173-M213 HydrophobicContact CD1-CB 4.34Å; F173-M213 HydrophobicContact CD1-SD 4.3Å; F173-M213 HydrophobicContact CD2-CB 4.1Å; F173-M213 HydrophobicContact CD2-SD 4.29Å; F173-M213 HydrophobicContact CE1-CB 4.21Å; F173-M213 HydrophobicContact CE2-CB 3.95Å; F173-M213 HydrophobicContact CG-CB 4.29Å; F173-M213 HydrophobicContact CG-SD 3.89Å; F173-M213 HydrophobicContact CZ-CB 4Å; L201-M213 HydrophobicContact CB-CB 4.49Å; L201-M213 PolarHBondContact N-O 3.44Å; L201-M213 PolarHBondContact O-N 3.37Å; L211-M213 HydrophobicContact CD1-CE 3.69Å; L211-M213 HydrophobicContact CD1-CG 4.34Å; L211-M213 HydrophobicContact CD2-CE 3.33Å; L211-M213 HydrophobicContact CD2-SD 4.35Å; L211-M213 HydrophobicContact CG-CE 3.82Å; L211-M213 HydrophobicContact CG-CG 4.39Å
214	G	98.4	Very high	98.1	Very high	57 Å²	57	25 Å²	25	59%	0.588	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	64.4	-136.8	175.5	0	0	0	0	0	112.9	W199 S216	W199-G214 WeakPolarHBondContact O-CA 3.27Å; G214-S216 PolarHBondContact O-N 3.13Å
215	D	98.5	Very high	98.1	Very high	51 Å²	51	25 Å²	25	27%	0.273	15%	0.154	S	C	.	.	S	Bend	trans	-79.3	39.8	-175.8	-56.3	-57.2	0	0	0	112.5	Y198 W199 T217 I218 W439	Y198-D215 VanDerWaalsContact CA-OD2 3.28Å; Y198-D215 WeakPolarHBondContact CA-OD2 3.43Å; Y198-D215 HydrophobicContact CD1-CB 4.38Å; W199-D215 PolarHBondContact N-OD2 2.99Å; W199-D215 PolarHBondContact O-N 2.79Å; D215-T217 VanDerWaalsContact C-N 3.28Å; D215-T217 PolarHBondContact O-N 3.43Å; D215-I218 HydrophobicContact CB-CD1 3.74Å; D215-I218 HydrophobicContact CB-CG1 4.1Å; D215-I218 PolarHBondContact O-N 2.95Å; D215-W439 HydrophobicContact CB-CZ3 4.21Å
216	S	98.2	Very high	98.1	Very high	9 Å²	9	25.1 Å²	25.1	6%	0.063	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	-169.6	60.6	0	0	0	0	114.4	L201 G214 T361 C362	L201-S216 WeakPolarHBondContact O-CB 3.5Å; G214-S216 PolarHBondContact O-N 3.13Å; S216-T361 WeakPolarHBondContact O-CB 3.13Å; S216-C362 WeakPolarHBondContact O-CB 3.45Å; S216-C362 PolarHBondContact O-N 3.43Å
217	T	97.8	Very high	98.1	Very high	88 Å²	88	24.3 Å²	24.3	54%	0.54	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-4.6	-176.3	56.2	0	0	0	0	113.4	D215 T361 E363	D215-T217 VanDerWaalsContact C-N 3.28Å; D215-T217 PolarHBondContact O-N 3.43Å; T217-T361 VanDerWaalsContact O-CG2 3.31Å; T217-T361 WeakPolarHBondContact O-CG2 3.35Å; T217-E363 HydrophobicContact CG2-CG 4.49Å
218	I	97.9	Very high	98.2	Very high	45 Å²	45	23.2 Å²	23.2	23%	0.231	15%	0.145	C	C	.	.			trans	-70.3	128	176.7	-58.9	-170.4	0	0	0	108.8	Y198 D215 F220 W439	Y198-I218 HydrophobicContact CD1-CD1 3.85Å; Y198-I218 HydrophobicContact CE1-CD1 3.57Å; Y198-I218 HydrophobicContact CE2-CD1 4.31Å; Y198-I218 HydrophobicContact CG-CD1 4.38Å; D215-I218 HydrophobicContact CB-CD1 3.74Å; D215-I218 HydrophobicContact CB-CG1 4.1Å; D215-I218 PolarHBondContact O-N 2.95Å; I218-F220 WeakPolarHBondContact O-CD1 3.46Å; I218-W439 HydrophobicContact CB-CH2 4.23Å; I218-W439 HydrophobicContact CB-CZ3 3.88Å; I218-W439 HydrophobicContact CG2-CH2 3.83Å; I218-W439 HydrophobicContact CG2-CZ3 4.01Å
219	P	97.9	Very high	98.2	Very high	69 Å²	69	23.2 Å²	23.2	45%	0.448	15%	0.145	S	C	.	.			trans	-73.6	140.8	175.6	29.5	-33.4	0	0	0	111.4	E359 V360	P219-E359 HydrophobicContact CB-CB 4.4Å; P219-V360 WeakPolarHBondContact CA-O 3.36Å
220	F	98	Very high	98.2	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.9	172.7	55.9	-94.3	0	0	0	109.8	I218 E359 V360 I425 W439	I218-F220 WeakPolarHBondContact O-CD1 3.46Å; F220-E359 CarbonylContact O-C 3.58Å; F220-E359 WeakPolarHBondContact O-CA 3.34Å; F220-V360 HydrophobicContact CD2-CG2 4.21Å; F220-V360 HydrophobicContact CE2-CG2 3.65Å; F220-V360 HydrophobicContact CZ-CG2 4.07Å; F220-V360 PolarHBondContact N-O 2.89Å; F220-V360 PolarHBondContact O-N 3.36Å; F220-I425 HydrophobicContact CD2-CB 4.48Å; F220-I425 HydrophobicContact CE2-CB 3.66Å; F220-I425 HydrophobicContact CE2-CD1 3.59Å; F220-I425 HydrophobicContact CE2-CG1 4.05Å; F220-I425 HydrophobicContact CE2-CG2 4.2Å; F220-I425 HydrophobicContact CZ-CB 4.25Å; F220-I425 HydrophobicContact CZ-CD1 3.85Å; F220-I425 HydrophobicContact CZ-CG1 4.31Å; F220-W439 HydrophobicContact CB-CH2 4.49Å; F220-W439 HydrophobicContact CB-CZ2 3.73Å; F220-W439 AromaticContact CD1-CD1 3.88Å; F220-W439 AromaticContact CD1-CD2 3.38Å; F220-W439 HydrophobicContact CD1-CD2 3.38Å; F220-W439 AromaticContact CD1-CE2 3.38Å; F220-W439 AromaticContact CD1-CE3 3.81Å; F220-W439 HydrophobicContact CD1-CE3 3.81Å; F220-W439 AromaticContact CD1-CG 3.73Å; F220-W439 HydrophobicContact CD1-CG 3.73Å; F220-W439 HydrophobicContact CD1-CH2 4.15Å; F220-W439 AromaticContact CD1-CZ2 3.8Å; F220-W439 HydrophobicContact CD1-CZ2 3.8Å; F220-W439 HydrophobicContact CD1-CZ3 4.17Å; F220-W439 AromaticContact CD1-NE1 3.71Å; F220-W439 AromaticContact CD2-CD1 3.84Å; F220-W439 HydrophobicContact CD2-CG 4.41Å; F220-W439 AromaticContact CD2-NE1 3.79Å; F220-W439 HydrophobicContact CE1-CB 3.86Å; F220-W439 AromaticContact CE1-CD1 3.86Å; F220-W439 AromaticContact CE1-CD2 3.53Å; F220-W439 HydrophobicContact CE1-CD2 3.53Å; F220-W439 AromaticContact CE1-CE2 4Å; F220-W439 AromaticContact CE1-CE3 3.95Å; F220-W439 HydrophobicContact CE1-CE3 3.95Å; F220-W439 AromaticContact CE1-CG 3.47Å; F220-W439 HydrophobicContact CE1-CG 3.47Å; F220-W439 VanDerWaalsContact CE1-CG 3.47Å; F220-W439 AromaticContact CE2-CD1 3.85Å; F220-W439 HydrophobicContact CE2-CG 4.21Å; F220-W439 AromaticContact CG-CD1 3.88Å; F220-W439 HydrophobicContact CG-CD2 4.01Å; F220-W439 AromaticContact CG-CE2 3.55Å; F220-W439 HydrophobicContact CG-CG 4.21Å; F220-W439 AromaticContact CG-CZ2 3.94Å; F220-W439 HydrophobicContact CG-CZ2 3.94Å; F220-W439 AromaticContact CG-NE1 3.5Å; F220-W439 HydrophobicContact CZ-CB 3.91Å; F220-W439 AromaticContact CZ-CD1 3.85Å; F220-W439 HydrophobicContact CZ-CD2 4.28Å; F220-W439 AromaticContact CZ-CG 3.74Å; F220-W439 HydrophobicContact CZ-CG 3.74Å
221	T	98.2	Very high	98.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.3	-179.9	50.7	0	0	0	0	112	Q223 N312 V315 I358 E359 S423	T221-Q223 VanDerWaalsContact C-N 3.26Å; T221-Q223 PolarHBondContact O-N 3.25Å; T221-Q223 PolarHBondContact OG1-NE2 2.96Å; T221-N312 HydrophobicContact CG2-CB 3.64Å; T221-V315 HydrophobicContact CG2-CB 4.03Å; T221-V315 HydrophobicContact CG2-CG1 3.97Å; T221-V315 HydrophobicContact CG2-CG2 3.92Å; T221-I358 CarbonylContact C-O 3.48Å; T221-I358 WeakPolarHBondContact CA-O 3.48Å; T221-E359 HydrophobicContact CG2-CG 4.14Å; T221-S423 VanDerWaalsContact O-CB 3.23Å; T221-S423 WeakPolarHBondContact O-CB 3.43Å; T221-S423 PolarHBondContact O-OG 2.87Å
222	I	98.2	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.129	C	C	.	.			trans	-68	-27.2	-176.6	-163.6	176.3	0	0	0	112.5	S225 I229 F300 I358 V360 M368	I222-S225 WeakPolarHBondContact O-CB 3.45Å; I222-S225 PolarHBondContact O-N 3.14Å; I222-S225 VanDerWaalsContact O-N 3.11Å; I222-I229 HydrophobicContact CD1-CD1 4.06Å; I222-F300 HydrophobicContact CD1-CD1 4.23Å; I222-F300 HydrophobicContact CD1-CE1 3.7Å; I222-I358 HydrophobicContact CG2-CB 4.11Å; I222-I358 PolarHBondContact N-O 2.92Å; I222-V360 HydrophobicContact CB-CG1 4.07Å; I222-V360 HydrophobicContact CB-CG2 3.95Å; I222-V360 HydrophobicContact CD1-CG1 4.09Å; I222-V360 HydrophobicContact CG1-CG1 4.3Å; I222-V360 HydrophobicContact CG1-CG2 4.08Å; I222-M368 HydrophobicContact CD1-CE 4.42Å
223	Q	97.8	Very high	98.3	Very high	7 Å²	7	17.3 Å²	17.3	3%	0.033	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	53.3	-141.3	174.8	-67.9	-69.2	-10.8	0	0	111.6	T221 S225 S226 E319 C356 V422	T221-Q223 VanDerWaalsContact C-N 3.26Å; T221-Q223 PolarHBondContact O-N 3.25Å; T221-Q223 PolarHBondContact OG1-NE2 2.96Å; Q223-S225 PolarHBondContact O-N 2.71Å; Q223-S226 WeakPolarHBondContact O-CB 3.36Å; Q223-S226 PolarHBondContact O-N 2.92Å; Q223-S226 PolarHBondContact O-OG 2.94Å; Q223-E319 PolarHBondContact NE2-OE1 2.88Å; Q223-C356 WeakPolarHBondContact CA-O 3.17Å; Q223-C356 PolarHBondContact N-O 3.47Å; Q223-V422 HydrophobicContact CB-CG2 4.1Å; Q223-V422 HydrophobicContact CG-CG2 3.96Å
224	S	97.6	Very high	98.3	Very high	10 Å²	10	16.6 Å²	16.6	7%	0.07	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-60.6	-11.7	179.6	-74	0	0	0	0	115	S226 K227 K419	S224-S226 PolarHBondContact O-N 3.31Å; S224-K227 WeakPolarHBondContact O-CG 3.38Å; S224-K227 PolarHBondContact O-N 3.43Å; S224-K227 PolarHBondContact OG-NZ 3.19Å; S224-K419 WeakPolarHBondContact O-CE 3.42Å; S224-K419 WeakPolarHBondContact O-CG 3.49Å
225	S	98.2	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-72.9	-8.7	173.4	-64.9	0	0	0	0	113.5	I222 Q223 P228 K419 G421 I425	I222-S225 WeakPolarHBondContact O-CB 3.45Å; I222-S225 PolarHBondContact O-N 3.14Å; I222-S225 VanDerWaalsContact O-N 3.11Å; Q223-S225 PolarHBondContact O-N 2.71Å; S225-P228 WeakPolarHBondContact O-CD 3.2Å; S225-K419 PolarHBondContact OG-O 3.14Å; S225-G421 PolarHBondContact OG-N 2.85Å; S225-I425 WeakPolarHBondContact OG-CG2 3.49Å
226	S	98.4	Very high	98.3	Very high	3 Å²	3	14 Å²	14	2%	0.021	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-71.9	-27	169.5	57.6	0	0	0	0	113.9	Q223 S224 I229 T230	Q223-S226 WeakPolarHBondContact O-CB 3.36Å; Q223-S226 PolarHBondContact O-N 2.92Å; Q223-S226 PolarHBondContact O-OG 2.94Å; S224-S226 PolarHBondContact O-N 3.31Å; S226-I229 WeakPolarHBondContact O-CB 3.43Å; S226-I229 PolarHBondContact O-N 3.21Å; S226-T230 PolarHBondContact O-N 3.35Å; S226-T230 PolarHBondContact O-OG1 3.13Å
227	K	98.6	Very high	98.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-42.6	-170.7	-62.5	172.7	175.6	157.9	0	114.5	S224 I229 T230 Y231 L271 N273 A276	S224-K227 WeakPolarHBondContact O-CG 3.38Å; S224-K227 PolarHBondContact O-N 3.43Å; S224-K227 PolarHBondContact OG-NZ 3.19Å; K227-I229 VanDerWaalsContact C-N 3.27Å; K227-I229 PolarHBondContact O-N 3.44Å; K227-T230 PolarHBondContact O-OG1 3.07Å; K227-Y231 VanDerWaalsContact O-CB 3.28Å; K227-Y231 WeakPolarHBondContact O-CB 3.12Å; K227-Y231 PolarHBondContact O-N 3.13Å; K227-L271 HydrophobicContact CB-CD2 3.92Å; K227-L271 VanDerWaalsContact CD-O 3.29Å; K227-L271 WeakPolarHBondContact CD-O 3.42Å; K227-N273 PolarHBondContact NZ-OD1 3.19Å; K227-A276 HydrophobicContact CD-CB 3.89Å; K227-A276 HydrophobicContact CG-CB 3.79Å
228	P	98.7	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-35.5	174.9	-18.7	30.8	0	0	0	112.4	S225 A232 L271 T394 M398 K419	S225-P228 WeakPolarHBondContact O-CD 3.2Å; P228-A232 WeakPolarHBondContact O-CB 3.46Å; P228-A232 PolarHBondContact O-N 3.4Å; P228-L271 HydrophobicContact CB-CD2 4.21Å; P228-L271 HydrophobicContact CG-CD2 3.79Å; P228-T394 HydrophobicContact CB-CG2 3.7Å; P228-T394 VanDerWaalsContact O-CG2 3.28Å; P228-T394 WeakPolarHBondContact O-CG2 3.45Å; P228-M398 HydrophobicContact CB-CG 3.78Å; P228-M398 HydrophobicContact CB-SD 3.59Å; P228-M398 VanDerWaalsContact CB-SD 3.59Å; P228-M398 HydrophobicContact CG-CE 4.41Å; P228-M398 HydrophobicContact CG-CG 3.86Å; P228-M398 HydrophobicContact CG-SD 4Å; P228-K419 HydrophobicContact CG-CB 3.58Å; P228-K419 HydrophobicContact CG-CD 4.01Å; P228-K419 HydrophobicContact CG-CG 3.65Å
229	I	98.6	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.2	-50.2	-178.4	-56.6	173	0	0	0	109.8	I222 S226 K227 Y231 A232 L233 F300 M303 M368 M427	I222-I229 HydrophobicContact CD1-CD1 4.06Å; S226-I229 WeakPolarHBondContact O-CB 3.43Å; S226-I229 PolarHBondContact O-N 3.21Å; K227-I229 VanDerWaalsContact C-N 3.27Å; K227-I229 PolarHBondContact O-N 3.44Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 2.9Å; I229-A232 WeakPolarHBondContact O-CB 3.23Å; I229-A232 PolarHBondContact O-N 2.75Å; I229-A232 VanDerWaalsContact O-N 3.13Å; I229-L233 HydrophobicContact CG2-CD1 4.35Å; I229-L233 WeakPolarHBondContact O-CG 3.36Å; I229-L233 PolarHBondContact O-N 3.08Å; I229-F300 HydrophobicContact CB-CE2 3.79Å; I229-F300 HydrophobicContact CB-CZ 3.83Å; I229-F300 HydrophobicContact CD1-CD1 4.36Å; I229-F300 HydrophobicContact CD1-CE1 4.01Å; I229-F300 HydrophobicContact CD1-CE2 4.46Å; I229-F300 HydrophobicContact CD1-CZ 4.05Å; I229-F300 HydrophobicContact CG2-CD2 3.65Å; I229-F300 HydrophobicContact CG2-CE2 3.25Å; I229-F300 HydrophobicContact CG2-CG 4.47Å; I229-F300 HydrophobicContact CG2-CZ 3.81Å; I229-M303 HydrophobicContact CG2-CE 4.47Å; I229-M303 HydrophobicContact CG2-SD 3.49Å; I229-M303 WeakPolarHBondContact CG2-SD 3.35Å; I229-M368 HydrophobicContact CD1-CB 4.45Å; I229-M368 HydrophobicContact CD1-SD 3.7Å; I229-M427 HydrophobicContact CD1-CE 3.99Å
230	T	98.7	Very high	98.3	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-34.6	178	54.6	0	0	0	0	112.4	S226 K227 L233 A234 L283 V296 F300 I355	S226-T230 PolarHBondContact O-N 3.35Å; S226-T230 PolarHBondContact O-OG1 3.13Å; K227-T230 PolarHBondContact O-OG1 3.07Å; T230-L233 PolarHBondContact O-N 3.4Å; T230-A234 WeakPolarHBondContact O-CB 3.18Å; T230-A234 PolarHBondContact O-N 3.09Å; T230-L283 HydrophobicContact CG2-CD2 4.47Å; T230-V296 HydrophobicContact CG2-CG1 4.42Å; T230-F300 HydrophobicContact CG2-CE2 4.23Å; T230-F300 HydrophobicContact CG2-CZ 4.26Å; T230-I355 HydrophobicContact CG2-CD1 4.08Å; T230-I355 HydrophobicContact CG2-CG2 3.91Å
231	Y	98.9	Very high	98.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-46.6	171.1	175.7	-126.3	0	0	0	112.4	K227 I229 L233 A234 L235 V243 H244 P270 I279 T394 V397	K227-Y231 VanDerWaalsContact O-CB 3.28Å; K227-Y231 WeakPolarHBondContact O-CB 3.12Å; K227-Y231 PolarHBondContact O-N 3.13Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 2.9Å; Y231-L233 VanDerWaalsContact C-N 3.28Å; Y231-L233 PolarHBondContact O-N 3.28Å; Y231-A234 PolarHBondContact O-N 3.49Å; Y231-L235 HydrophobicContact CD1-CD1 4.13Å; Y231-L235 HydrophobicContact CD2-CD1 4.23Å; Y231-L235 HydrophobicContact CD2-CG 4.05Å; Y231-L235 HydrophobicContact CE1-CD1 3.63Å; Y231-L235 HydrophobicContact CE1-CG 4.45Å; Y231-L235 HydrophobicContact CE2-CD1 3.75Å; Y231-L235 HydrophobicContact CE2-CD2 3.9Å; Y231-L235 HydrophobicContact CE2-CG 3.67Å; Y231-L235 HydrophobicContact CG-CD1 4.42Å; Y231-L235 VanDerWaalsContact CZ-CD1 3.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.49Å; Y231-L235 PolarHBondContact O-N 2.95Å; Y231-V243 HydrophobicContact CD2-CG1 4.26Å; Y231-V243 HydrophobicContact CE2-CG1 3.89Å; Y231-H244 AromaticContact CE2-CE1 3.93Å; Y231-H244 AromaticContact CZ-CE1 3.91Å; Y231-H244 PolarHBondContact OH-CE1 2.91Å; Y231-H244 PolarHBondContact OH-NE2 2.86Å; Y231-P270 HydrophobicContact CD1-CB 4.41Å; Y231-P270 HydrophobicContact CD1-CG 3.73Å; Y231-P270 HydrophobicContact CD2-CB 3.71Å; Y231-P270 HydrophobicContact CD2-CG 3.63Å; Y231-P270 HydrophobicContact CE1-CG 3.85Å; Y231-P270 HydrophobicContact CE2-CB 4.23Å; Y231-P270 HydrophobicContact CE2-CG 3.76Å; Y231-P270 HydrophobicContact CG-CB 3.8Å; Y231-P270 HydrophobicContact CG-CG 3.6Å; Y231-I279 HydrophobicContact CD2-CD1 3.81Å; Y231-I279 HydrophobicContact CD2-CG1 4.34Å; Y231-I279 HydrophobicContact CE2-CD1 4.49Å; Y231-T394 HydrophobicContact CD1-CG2 4.23Å; Y231-V397 HydrophobicContact CE1-CB 4.4Å; Y231-V397 HydrophobicContact CE1-CG2 4Å
232	A	98.8	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-37.4	176.8	0	0	0	0	0	112.4	P228 I229 T236 L372 V386 A390 T394	P228-A232 WeakPolarHBondContact O-CB 3.46Å; P228-A232 PolarHBondContact O-N 3.4Å; I229-A232 WeakPolarHBondContact O-CB 3.23Å; I229-A232 PolarHBondContact O-N 2.75Å; I229-A232 VanDerWaalsContact O-N 3.13Å; A232-T236 WeakPolarHBondContact O-CB 3.34Å; A232-T236 PolarHBondContact O-N 2.89Å; A232-T236 PolarHBondContact O-OG1 3.11Å; A232-L372 HydrophobicContact CB-CD2 4.39Å; A232-V386 HydrophobicContact CB-CB 4.39Å; A232-V386 HydrophobicContact CB-CG1 3.92Å; A232-A390 WeakPolarHBondContact O-CB 3.24Å; A232-T394 WeakPolarHBondContact CA-OG1 3.5Å; A232-T394 HydrophobicContact CB-CG2 4.26Å; A232-T394 WeakPolarHBondContact CB-OG1 3.41Å
233	L	98.7	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-48.9	174.3	-65	175.1	0	0	0	111.3	I229 T230 Y231 L235 T236 D237 L283 K299 F300 V386	I229-L233 HydrophobicContact CG2-CD1 4.35Å; I229-L233 WeakPolarHBondContact O-CG 3.36Å; I229-L233 PolarHBondContact O-N 3.08Å; T230-L233 PolarHBondContact O-N 3.4Å; Y231-L233 VanDerWaalsContact C-N 3.28Å; Y231-L233 PolarHBondContact O-N 3.28Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 2.84Å; L233-T236 WeakPolarHBondContact O-CB 3.41Å; L233-T236 PolarHBondContact O-N 2.87Å; L233-T236 VanDerWaalsContact O-N 3.07Å; L233-D237 PolarHBondContact O-N 2.9Å; L233-L283 HydrophobicContact CB-CD1 4.11Å; L233-K299 HydrophobicContact CD1-CB 3.64Å; L233-K299 HydrophobicContact CD1-CG 4.07Å; L233-K299 HydrophobicContact CD2-CB 3.77Å; L233-K299 HydrophobicContact CD2-CD 3.77Å; L233-K299 HydrophobicContact CD2-CG 3.74Å; L233-K299 HydrophobicContact CG-CB 4.37Å; L233-F300 HydrophobicContact CD1-CE2 4.39Å; L233-V386 HydrophobicContact CD2-CG1 3.9Å
234	A	98.7	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-42.3	177.8	0	0	0	0	0	112.2	T230 Y231 T236 D237 L238 V243 I279 L283	T230-A234 WeakPolarHBondContact O-CB 3.18Å; T230-A234 PolarHBondContact O-N 3.09Å; Y231-A234 PolarHBondContact O-N 3.49Å; A234-T236 VanDerWaalsContact C-N 3.32Å; A234-T236 PolarHBondContact O-N 3.3Å; A234-D237 PolarHBondContact O-N 3.28Å; A234-L238 WeakPolarHBondContact O-CB 3.35Å; A234-L238 PolarHBondContact O-N 3.04Å; A234-V243 HydrophobicContact CB-CG2 4.07Å; A234-V243 WeakPolarHBondContact O-CG2 3.34Å; A234-I279 HydrophobicContact CB-CD1 4.31Å; A234-I279 HydrophobicContact CB-CG2 4.03Å; A234-L283 HydrophobicContact CB-CD1 4.17Å
235	L	98.7	Very high	98.3	Very high	6 Å²	6	32 Å²	32	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-37.6	174.6	-74.3	178.9	0	0	0	112.6	Y231 L233 G239 P240 V243 A390 D393	Y231-L235 HydrophobicContact CD1-CD1 4.13Å; Y231-L235 HydrophobicContact CD2-CD1 4.23Å; Y231-L235 HydrophobicContact CD2-CG 4.05Å; Y231-L235 HydrophobicContact CE1-CD1 3.63Å; Y231-L235 HydrophobicContact CE1-CG 4.45Å; Y231-L235 HydrophobicContact CE2-CD1 3.75Å; Y231-L235 HydrophobicContact CE2-CD2 3.9Å; Y231-L235 HydrophobicContact CE2-CG 3.67Å; Y231-L235 HydrophobicContact CG-CD1 4.42Å; Y231-L235 VanDerWaalsContact CZ-CD1 3.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.49Å; Y231-L235 PolarHBondContact O-N 2.95Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 2.84Å; L235-G239 WeakPolarHBondContact O-CA 3.42Å; L235-G239 PolarHBondContact O-N 3.47Å; L235-P240 HydrophobicContact CD2-CB 3.92Å; L235-V243 HydrophobicContact CD2-CB 3.96Å; L235-V243 HydrophobicContact CD2-CG1 4.06Å; L235-V243 HydrophobicContact CD2-CG2 4.1Å; L235-A390 HydrophobicContact CB-CB 3.57Å; L235-A390 HydrophobicContact CD1-CB 4.2Å; L235-D393 HydrophobicContact CD1-CB 3.79Å
236	T	98.5	Very high	98.2	Very high	47 Å²	47	33.5 Å²	33.5	29%	0.288	17%	0.17	S	C	.	.	H	α-helix	trans	-69.6	-42.5	179.1	-62.8	0	0	0	0	111.3	A232 L233 A234 V386 S387 A390	A232-T236 WeakPolarHBondContact O-CB 3.34Å; A232-T236 PolarHBondContact O-N 2.89Å; A232-T236 PolarHBondContact O-OG1 3.11Å; L233-T236 WeakPolarHBondContact O-CB 3.41Å; L233-T236 PolarHBondContact O-N 2.87Å; L233-T236 VanDerWaalsContact O-N 3.07Å; A234-T236 VanDerWaalsContact C-N 3.32Å; A234-T236 PolarHBondContact O-N 3.3Å; T236-V386 WeakPolarHBondContact OG1-CA 3.28Å; T236-S387 PolarHBondContact OG1-N 3Å; T236-A390 VanDerWaalsContact OG1-CB 3.3Å; T236-A390 WeakPolarHBondContact OG1-CB 3.35Å
237	D	98.1	Very high	98.2	Very high	57 Å²	57	33.3 Å²	33.3	31%	0.305	17%	0.169	S	C	.	.	H	α-helix	trans	-78.3	-37.5	-175.1	-67.2	-7.8	0	0	0	112.7	L233 A234 Q284 Y295	L233-D237 PolarHBondContact O-N 2.9Å; A234-D237 PolarHBondContact O-N 3.28Å; D237-Q284 PolarHBondContact OD2-NE2 3.08Å; D237-Y295 PolarHBondContact OD1-OH 3.08Å; D237-Y295 VanDerWaalsContact OD1-OH 3.1Å; D237-Y295 VanDerWaalsContact OD2-CZ 3.29Å; D237-Y295 PolarHBondContact OD2-OH 3.37Å
238	L	98	Very high	98.1	Very high	65 Å²	65	33.8 Å²	33.8	34%	0.34	18%	0.175	S	C	.	.	H	α-helix	trans	-117.3	-13.9	-167.2	-52.9	171.4	0	0	0	113.5	A234 Y242 V243 I282	A234-L238 WeakPolarHBondContact O-CB 3.35Å; A234-L238 PolarHBondContact O-N 3.04Å; L238-Y242 HydrophobicContact CB-CD1 3.84Å; L238-Y242 HydrophobicContact CB-CG 4.42Å; L238-Y242 HydrophobicContact CD1-CD1 3.86Å; L238-Y242 HydrophobicContact CD1-CE1 3.99Å; L238-Y242 HydrophobicContact CG-CD1 4.31Å; L238-Y242 WeakPolarHBondContact O-CB 3.22Å; L238-V243 HydrophobicContact CB-CG2 4.22Å; L238-I282 HydrophobicContact CD1-CB 4.14Å; L238-I282 HydrophobicContact CD1-CD1 4.15Å; L238-I282 HydrophobicContact CD1-CG1 4.16Å; L238-I282 WeakPolarHBondContact CD1-O 3.44Å
239	G	98	Very high	98	Very high	22 Å²	22	40 Å²	40	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	77.5	155.8	-175.4	0	0	0	0	0	114	L235 Q241 Y242 V243	L235-G239 WeakPolarHBondContact O-CA 3.42Å; L235-G239 PolarHBondContact O-N 3.47Å; G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.38Å; G239-Y242 PolarHBondContact O-N 2.99Å; G239-V243 WeakPolarHBondContact O-CG2 3.17Å; G239-V243 PolarHBondContact O-N 3.42Å
240	P	97.9	Very high	97.8	Very high	57 Å²	57	45.6 Å²	45.6	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-32.7	-175	24.7	-34.2	0	0	0	113.3	L235 Y242 H244	L235-P240 HydrophobicContact CD2-CB 3.92Å; P240-Y242 PolarHBondContact O-N 2.83Å; P240-H244 WeakPolarHBondContact O-CB 3.08Å; P240-H244 PolarHBondContact O-CD2 2.87Å; P240-H244 PolarHBondContact O-N 3.29Å
241	Q	97.5	Very high	97.6	Very high	173 Å²	173	48.9 Å²	48.9	81%	0.808	25%	0.247	S	C	*	.	H	α-helix	trans	-62.6	-42.7	-179.4	-69.8	178.5	1.6	0	0	111.9	G239 Q245	G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.38Å; Q241-Q245 WeakPolarHBondContact O-CG 3.43Å
242	Y	97.8	Very high	97.1	Very high	87 Å²	87	50.3 Å²	50.3	34%	0.341	26%	0.257	S	S	.	.	H	α-helix	trans	-74.3	-47.4	178.4	-174	-95.8	0	0	0	111.2	L238 G239 P240 H244 Q245 Y246 I282	L238-Y242 HydrophobicContact CB-CD1 3.84Å; L238-Y242 HydrophobicContact CB-CG 4.42Å; L238-Y242 HydrophobicContact CD1-CD1 3.86Å; L238-Y242 HydrophobicContact CD1-CE1 3.99Å; L238-Y242 HydrophobicContact CG-CD1 4.31Å; L238-Y242 WeakPolarHBondContact O-CB 3.22Å; G239-Y242 PolarHBondContact O-N 2.99Å; P240-Y242 PolarHBondContact O-N 2.83Å; Y242-H244 VanDerWaalsContact C-N 3.3Å; Y242-H244 PolarHBondContact O-N 2.94Å; Y242-Q245 VanDerWaalsContact O-CB 3.27Å; Y242-Q245 WeakPolarHBondContact O-CB 3.18Å; Y242-Q245 PolarHBondContact O-N 3.05Å; Y242-Y246 HydrophobicContact CD1-CE2 4.22Å; Y242-Y246 HydrophobicContact CE1-CD2 4.43Å; Y242-Y246 AromaticContact CE1-CE2 3.69Å; Y242-Y246 HydrophobicContact CE1-CE2 3.69Å; Y242-Y246 HydrophobicContact CE2-CE2 4.17Å; Y242-Y246 AromaticContact CZ-CE2 3.66Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.39Å; Y242-Y246 PolarHBondContact OH-OH 3.41Å; Y242-I282 HydrophobicContact CE1-CB 4.37Å; Y242-I282 HydrophobicContact CE1-CG2 4.35Å
243	V	98.3	Very high	96.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-44.5	-179.2	172.4	0	0	0	0	111.7	Y231 A234 L235 L238 G239 Q245 Y246 V247 I279 I282	Y231-V243 HydrophobicContact CD2-CG1 4.26Å; Y231-V243 HydrophobicContact CE2-CG1 3.89Å; A234-V243 HydrophobicContact CB-CG2 4.07Å; A234-V243 WeakPolarHBondContact O-CG2 3.34Å; L235-V243 HydrophobicContact CD2-CB 3.96Å; L235-V243 HydrophobicContact CD2-CG1 4.06Å; L235-V243 HydrophobicContact CD2-CG2 4.1Å; L238-V243 HydrophobicContact CB-CG2 4.22Å; G239-V243 WeakPolarHBondContact O-CG2 3.17Å; G239-V243 PolarHBondContact O-N 3.42Å; V243-Q245 PolarHBondContact O-N 2.87Å; V243-Y246 PolarHBondContact O-N 3.25Å; V243-V247 HydrophobicContact CG1-CG1 3.97Å; V243-V247 PolarHBondContact O-N 3.13Å; V243-I279 HydrophobicContact CG1-CD1 3.63Å; V243-I282 HydrophobicContact CB-CD1 4.36Å; V243-I282 HydrophobicContact CG1-CD1 4.34Å; V243-I282 HydrophobicContact CG2-CD1 4.05Å
244	H	97.9	Very high	95.4	Very high	38 Å²	38	57.3 Å²	57.3	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-78.4	3.2	-178.8	-66.4	-53.5	0	0	0	115.2	Y231 P240 Y242 V247 Y249 K266	Y231-H244 AromaticContact CE2-CE1 3.93Å; Y231-H244 AromaticContact CZ-CE1 3.91Å; Y231-H244 PolarHBondContact OH-CE1 2.91Å; Y231-H244 PolarHBondContact OH-NE2 2.86Å; P240-H244 WeakPolarHBondContact O-CB 3.08Å; P240-H244 PolarHBondContact O-CD2 2.87Å; P240-H244 PolarHBondContact O-N 3.29Å; Y242-H244 VanDerWaalsContact C-N 3.3Å; Y242-H244 PolarHBondContact O-N 2.94Å; H244-V247 VanDerWaalsContact CA-O 3.25Å; H244-V247 WeakPolarHBondContact CA-O 3.22Å; H244-V247 PolarHBondContact ND1-O 3.41Å; H244-Y249 AromaticContact CD2-CD1 3.96Å; H244-Y249 AromaticContact CE1-CD1 3.58Å; H244-Y249 AromaticContact CG-CD1 3.87Å; H244-Y249 AromaticContact ND1-CD1 3.64Å; H244-Y249 AromaticContact NE2-CD1 3.77Å; H244-K266 PolarHBondContact O-NZ 3.27Å
245	Q	96.8	Very high	94.4	Very high	109 Å²	109	60 Å²	60	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-28.5	160.9	-65.8	175.4	8.2	0	0	111.4	Q241 Y242 V243 K266	Q241-Q245 WeakPolarHBondContact O-CG 3.43Å; Y242-Q245 VanDerWaalsContact O-CB 3.27Å; Y242-Q245 WeakPolarHBondContact O-CB 3.18Å; Y242-Q245 PolarHBondContact O-N 3.05Å; V243-Q245 PolarHBondContact O-N 2.87Å; Q245-K266 VanDerWaalsContact C-NZ 3.33Å; Q245-K266 WeakPolarHBondContact O-CD 3.29Å; Q245-K266 WeakPolarHBondContact O-CE 3.42Å; Q245-K266 PolarHBondContact O-NZ 2.59Å
246	Y	97.2	Very high	93	Very high	32 Å²	32	63.1 Å²	63.1	13%	0.125	34%	0.344	C	S	.	.	H	α-helix	trans	-106	-28.8	-174.7	-59.4	-84.7	0	0	0	113.9	Y242 V243 P267 I282 P340	Y242-Y246 HydrophobicContact CD1-CE2 4.22Å; Y242-Y246 HydrophobicContact CE1-CD2 4.43Å; Y242-Y246 AromaticContact CE1-CE2 3.69Å; Y242-Y246 HydrophobicContact CE1-CE2 3.69Å; Y242-Y246 HydrophobicContact CE2-CE2 4.17Å; Y242-Y246 AromaticContact CZ-CE2 3.66Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.39Å; Y242-Y246 PolarHBondContact OH-OH 3.41Å; V243-Y246 PolarHBondContact O-N 3.25Å; Y246-P267 VanDerWaalsContact O-CD 3.29Å; Y246-P267 WeakPolarHBondContact O-CD 3.36Å; Y246-I282 HydrophobicContact CD1-CG2 4.33Å; Y246-I282 HydrophobicContact CD2-CD1 4.25Å; Y246-I282 HydrophobicContact CD2-CG2 3.78Å; Y246-I282 HydrophobicContact CE1-CG2 4.39Å; Y246-I282 HydrophobicContact CE2-CG2 3.86Å; Y246-I282 HydrophobicContact CG-CG2 4.02Å; Y246-P340 HydrophobicContact CE1-CB 4.25Å
247	V	97.7	Very high	91.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.346	C	S	.	.			trans	-137.2	143.5	-176.7	65.6	0	0	0	0	112.1	V243 H244 P267 N269 P270 A278 I279	V243-V247 HydrophobicContact CG1-CG1 3.97Å; V243-V247 PolarHBondContact O-N 3.13Å; H244-V247 VanDerWaalsContact CA-O 3.25Å; H244-V247 WeakPolarHBondContact CA-O 3.22Å; H244-V247 PolarHBondContact ND1-O 3.41Å; V247-P267 HydrophobicContact CG2-CB 4.16Å; V247-N269 VanDerWaalsContact CG2-C 3.46Å; V247-P270 HydrophobicContact CG2-CB 4.35Å; V247-A278 HydrophobicContact CB-CB 4.34Å; V247-I279 HydrophobicContact CG1-CD1 3.77Å; V247-I279 HydrophobicContact CG1-CG1 4.46Å
248	G	97.1	Very high	90.7	Very high	12 Å²	12	65.6 Å²	65.6	12%	0.124	35%	0.352	C	S	.	.			trans	-74.8	-168	170.6	0	0	0	0	0	113	P267 H268 N269 P270	G248-P267 PolarHBondContact N-O 3.1Å; G248-H268 CarbonylContact C-O 3.36Å; G248-H268 WeakPolarHBondContact CA-O 3.49Å; G248-N269 WeakPolarHBondContact O-CA 3.34Å; G248-P270 WeakPolarHBondContact O-CD 3.46Å
249	Y	96.1	Very high	90	Very high	131 Å²	131	66.1 Å²	66.1	51%	0.514	36%	0.355	S	S	.	.			trans	-141	12.6	174.7	46	-103.4	0	0	0	112	H244 H268	H244-Y249 AromaticContact CD2-CD1 3.96Å; H244-Y249 AromaticContact CE1-CD1 3.58Å; H244-Y249 AromaticContact CG-CD1 3.87Å; H244-Y249 AromaticContact ND1-CD1 3.64Å; H244-Y249 AromaticContact NE2-CD1 3.77Å; Y249-H268 PolarHBondContact N-O 3.46Å
250	E	95.1	Very high	89.4	Confident	116 Å²	116	66.1 Å²	66.1	54%	0.542	35%	0.351	S	S	.	.	S	Bend	trans	-101.3	149.6	-176	-68.7	-179.1	-168.3	0	0	111.2	H268 N269	E250-H268 PolarHBondContact N-O 2.92Å; E250-H268 CarbonylContact O-C 3.48Å; E250-H268 VanDerWaalsContact O-O 3.1Å; E250-N269 WeakPolarHBondContact O-CB 3.28Å; E250-N269 PolarHBondContact O-ND2 2.95Å
251	P	93.4	Very high	89.1	Confident	73 Å²	73	64.6 Å²	64.6	47%	0.474	34%	0.34	S	S	.	.			trans	-57.4	146.7	167.9	-21.3	32.7	0	0	0	111.2
252	S	88.3	Confident	88.9	Confident	31 Å²	31	57.7 Å²	57.7	22%	0.217	31%	0.308	C	S	.	.			trans	-74.2	-31.7	176.2	53.6	0	0	0	0	112.9	L254	S252-L254 PolarHBondContact O-N 2.96Å; S252-L254 PolarHBondContact OG-N 2.81Å; S252-L254 PolarHBondContact OG-O 3.05Å
253	G	84	Confident	88.6	Confident	80 Å²	80	61 Å²	61	83%	0.825	33%	0.326	S	S	*	.	S	Bend	trans	67.4	3.4	-165.4	0	0	0	0	0	113.7
254	L	78.9	Confident	88.4	Confident	67 Å²	67	67.5 Å²	67.5	35%	0.351	36%	0.355	S	S	.	.	S	Bend	trans	-115.2	157.4	-178.8	-63.7	175.8	0	0	0	109.6	S252 F256	S252-L254 PolarHBondContact O-N 2.96Å; S252-L254 PolarHBondContact OG-N 2.81Å; S252-L254 PolarHBondContact OG-O 3.05Å; L254-F256 PolarHBondContact O-N 3.34Å
255	P	76.8	Confident	88.2	Confident	58 Å²	58	69.9 Å²	69.9	38%	0.377	37%	0.369	S	S	.	.			trans	-49.1	132.3	171.4	-26.3	35	0	0	0	111	N257 Q258 D405	P255-N257 WeakPolarHBondContact CB-OD1 3.48Å; P255-N257 PolarHBondContact O-N 3.17Å; P255-Q258 WeakPolarHBondContact O-CB 3.4Å; P255-Q258 PolarHBondContact O-N 2.89Å; P255-D405 WeakPolarHBondContact CA-OD1 3.49Å
256	F	69.1	Low	88.1	Confident	71 Å²	71	67 Å²	67	31%	0.311	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-17.2	-175.7	74	-89.3	0	0	0	114.1	L254 Y404 D405	L254-F256 PolarHBondContact O-N 3.34Å; F256-Y404 HydrophobicContact CB-CD1 4.49Å; F256-Y404 HydrophobicContact CD1-CD1 4.26Å; F256-Y404 HydrophobicContact CD1-CG 4.44Å; F256-Y404 AromaticContact CD2-CD1 3.93Å; F256-Y404 HydrophobicContact CD2-CD1 3.93Å; F256-Y404 HydrophobicContact CD2-CE1 4.5Å; F256-Y404 HydrophobicContact CE1-CD1 4.48Å; F256-Y404 HydrophobicContact CE2-CD1 4.18Å; F256-Y404 HydrophobicContact CE2-CE1 4.49Å; F256-Y404 AromaticContact CG-CD1 3.98Å; F256-Y404 HydrophobicContact CG-CD1 3.98Å; F256-Y404 HydrophobicContact CZ-CD1 4.44Å; F256-D405 WeakPolarHBondContact CD1-OD1 3.45Å; F256-D405 PolarHBondContact N-OD1 3.45Å
257	N	70.2	Confident	88	Confident	62 Å²	62	65.5 Å²	65.5	33%	0.332	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-16.6	-170.1	85.5	-16.2	0	0	0	110.5	P255 I259 R325	P255-N257 WeakPolarHBondContact CB-OD1 3.48Å; P255-N257 PolarHBondContact O-N 3.17Å; N257-I259 PolarHBondContact O-N 3.09Å; N257-R325 PolarHBondContact ND2-NH2 3.16Å; N257-R325 PolarHBondContact O-NE 3.07Å; N257-R325 PolarHBondContact O-NH2 3.04Å
258	Q	79	Confident	87.9	Confident	94 Å²	94	66.7 Å²	66.7	44%	0.439	35%	0.354	S	S	.	.	S	Bend	trans	-63	134	177.8	-170	172.4	-3.9	0	0	110.9	P255 S260	P255-Q258 WeakPolarHBondContact O-CB 3.4Å; P255-Q258 PolarHBondContact O-N 2.89Å; Q258-S260 PolarHBondContact O-N 3.12Å
259	I	82.4	Confident	87.9	Confident	76 Å²	76	66.2 Å²	66.2	39%	0.39	35%	0.349	S	S	.	.			trans	-75.6	92.7	173.5	-54.3	-175.5	0	0	0	107.1	N257 A328 I329 Y332	N257-I259 PolarHBondContact O-N 3.09Å; I259-A328 HydrophobicContact CD1-CB 4.03Å; I259-I329 HydrophobicContact CB-CG1 4.42Å; I259-I329 HydrophobicContact CD1-CG1 4.13Å; I259-I329 HydrophobicContact CG1-CD1 4.48Å; I259-I329 HydrophobicContact CG1-CG1 3.77Å; I259-I329 HydrophobicContact CG2-CG1 4.18Å; I259-Y332 HydrophobicContact CG2-CD1 3.71Å; I259-Y332 HydrophobicContact CG2-CE1 4.32Å; I259-Y332 HydrophobicContact CG2-CG 4.09Å
260	S	86.5	Confident	88	Confident	21 Å²	21	60 Å²	60	15%	0.147	33%	0.325	C	S	.	.			trans	-138.9	151.4	179.8	71.7	0	0	0	0	112.5	Q258 H268	Q258-S260 PolarHBondContact O-N 3.12Å; S260-H268 PolarHBondContact OG-NE2 2.99Å
261	L	92.2	Very high	88.1	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	30%	0.3	C	S	.	.			trans	-119.2	159.4	168	-60.8	172.8	0	0	0	108.2	K266 P267 Y332 M333 N336	L261-K266 WeakPolarHBondContact CA-O 3.5Å; L261-P267 HydrophobicContact CD2-CG 4.12Å; L261-Y332 HydrophobicContact CD1-CD1 4.2Å; L261-Y332 HydrophobicContact CD1-CE1 3.79Å; L261-Y332 HydrophobicContact CG-CD1 4.31Å; L261-Y332 HydrophobicContact CG-CE1 3.86Å; L261-M333 HydrophobicContact CD2-CG 4.19Å; L261-N336 HydrophobicContact CD1-CB 3.56Å
262	N	92.8	Very high	88.1	Confident	28 Å²	28	52.3 Å²	52.3	15%	0.15	28%	0.283	C	S	.	.			trans	-75.5	177.7	175.1	70.1	20	0	0	0	111.8	K264 N265 K266	N262-K264 PolarHBondContact O-N 3.43Å; N262-K264 WeakPolarHBondContact OD1-CA 3.29Å; N262-K264 PolarHBondContact OD1-N 3Å; N262-N265 PolarHBondContact O-N 3.23Å; N262-N265 PolarHBondContact OD1-N 3.18Å; N262-K266 PolarHBondContact N-O 3.27Å; N262-K266 PolarHBondContact ND2-O 3.03Å; N262-K266 PolarHBondContact OD1-N 2.77Å; N262-K266 PolarHBondContact OD1-O 2.91Å
263	H	91.6	Very high	88.4	Confident	156 Å²	156	52.4 Å²	52.4	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.1	179.4	67.3	-86.3	0	0	0	115.1
264	K	92.9	Very high	89	Confident	138 Å²	138	49.1 Å²	49.1	60%	0.6	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	14.4	174.9	-59.3	-176.8	178.8	170.8	0	112.4	N262 K266	N262-K264 PolarHBondContact O-N 3.43Å; N262-K264 WeakPolarHBondContact OD1-CA 3.29Å; N262-K264 PolarHBondContact OD1-N 3Å; K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 HydrophobicContact CB-CG 4.41Å; K264-K266 PolarHBondContact O-N 2.84Å
265	N	93.6	Very high	89.8	Confident	88 Å²	88	45.9 Å²	45.9	47%	0.471	23%	0.229	S	C	.	.	S	Bend	trans	55.2	41.3	-174.7	-63.7	-22	0	0	0	113.2	N262 N336 C338	N262-N265 PolarHBondContact O-N 3.23Å; N262-N265 PolarHBondContact OD1-N 3.18Å; N265-N336 HydrophobicContact CB-CB 4.43Å; N265-C338 PolarHBondContact O-SG 3.38Å
266	K	95.2	Very high	90.8	Very high	49 Å²	49	43.2 Å²	43.2	21%	0.213	21%	0.212	C	C	.	.	S	Bend	trans	-123.1	154.5	173.6	-52.7	-177.5	-166.1	-165.8	0	110.3	H244 Q245 L261 N262 K264	H244-K266 PolarHBondContact O-NZ 3.27Å; Q245-K266 VanDerWaalsContact C-NZ 3.33Å; Q245-K266 WeakPolarHBondContact O-CD 3.29Å; Q245-K266 WeakPolarHBondContact O-CE 3.42Å; Q245-K266 PolarHBondContact O-NZ 2.59Å; L261-K266 WeakPolarHBondContact CA-O 3.5Å; N262-K266 PolarHBondContact N-O 3.27Å; N262-K266 PolarHBondContact ND2-O 3.03Å; N262-K266 PolarHBondContact OD1-N 2.77Å; N262-K266 PolarHBondContact OD1-O 2.91Å; K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 HydrophobicContact CB-CG 4.41Å; K264-K266 PolarHBondContact O-N 2.84Å
267	P	95.9	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.			trans	-56	144.8	166.2	-21.8	33.7	0	0	0	110.9	Y246 V247 G248 L261 N269 S274 A278 M333	Y246-P267 VanDerWaalsContact O-CD 3.29Å; Y246-P267 WeakPolarHBondContact O-CD 3.36Å; V247-P267 HydrophobicContact CG2-CB 4.16Å; G248-P267 PolarHBondContact N-O 3.1Å; L261-P267 HydrophobicContact CD2-CG 4.12Å; P267-N269 PolarHBondContact O-N 2.88Å; P267-S274 WeakPolarHBondContact CG-O 3.15Å; P267-A278 HydrophobicContact CG-CB 4.18Å; P267-M333 HydrophobicContact CG-CE 3.63Å; P267-M333 HydrophobicContact CG-SD 4.29Å
268	H	96	Very high	93.4	Very high	24 Å²	24	36.9 Å²	36.9	11%	0.111	18%	0.181	C	C	.	.	S	Bend	trans	-62.4	-42.8	-173.3	-71.1	-90.1	0	0	0	113.4	G248 Y249 E250 S260 I272	G248-H268 CarbonylContact C-O 3.36Å; G248-H268 WeakPolarHBondContact CA-O 3.49Å; Y249-H268 PolarHBondContact N-O 3.46Å; E250-H268 PolarHBondContact N-O 2.92Å; E250-H268 CarbonylContact O-C 3.48Å; E250-H268 VanDerWaalsContact O-O 3.1Å; S260-H268 PolarHBondContact OG-NE2 2.99Å; H268-I272 HydrophobicContact CB-CD1 4.16Å
269	N	96.6	Very high	94.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	16%	0.16	C	C	.	.			trans	-156.7	163.1	-179.9	60.6	77.6	0	0	0	110.3	V247 G248 E250 P267 L271 I272 G275 V397 C401	V247-N269 VanDerWaalsContact CG2-C 3.46Å; G248-N269 WeakPolarHBondContact O-CA 3.34Å; E250-N269 WeakPolarHBondContact O-CB 3.28Å; E250-N269 PolarHBondContact O-ND2 2.95Å; P267-N269 PolarHBondContact O-N 2.88Å; N269-L271 VanDerWaalsContact C-N 3.25Å; N269-L271 PolarHBondContact O-N 3.12Å; N269-L271 PolarHBondContact OD1-N 3.03Å; N269-I272 WeakPolarHBondContact O-CG1 3.37Å; N269-I272 PolarHBondContact OD1-N 2.8Å; N269-G275 WeakPolarHBondContact O-CA 3.33Å; N269-V397 HydrophobicContact CB-CG1 4.11Å; N269-C401 HydrophobicContact CB-CB 4.47Å
270	P	97.5	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.1	-178.5	28.2	-39.3	0	0	0	115.4	Y231 V247 G248 A276 I279 V397	Y231-P270 HydrophobicContact CD1-CB 4.41Å; Y231-P270 HydrophobicContact CD1-CG 3.73Å; Y231-P270 HydrophobicContact CD2-CB 3.71Å; Y231-P270 HydrophobicContact CD2-CG 3.63Å; Y231-P270 HydrophobicContact CE1-CG 3.85Å; Y231-P270 HydrophobicContact CE2-CB 4.23Å; Y231-P270 HydrophobicContact CE2-CG 3.76Å; Y231-P270 HydrophobicContact CG-CB 3.8Å; Y231-P270 HydrophobicContact CG-CG 3.6Å; V247-P270 HydrophobicContact CG2-CB 4.35Å; G248-P270 WeakPolarHBondContact O-CD 3.46Å; P270-A276 PolarHBondContact O-N 3.47Å; P270-I279 HydrophobicContact CB-CD1 4.41Å; P270-I279 HydrophobicContact CB-CG1 3.88Å; P270-V397 HydrophobicContact CG-CG1 3.98Å
271	L	96.8	Very high	95.5	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.7	-172.3	-55.5	-170.5	0	0	0	114	K227 P228 N269 V397 M398 C401 K419	K227-L271 HydrophobicContact CB-CD2 3.92Å; K227-L271 VanDerWaalsContact CD-O 3.29Å; K227-L271 WeakPolarHBondContact CD-O 3.42Å; P228-L271 HydrophobicContact CB-CD2 4.21Å; P228-L271 HydrophobicContact CG-CD2 3.79Å; N269-L271 VanDerWaalsContact C-N 3.25Å; N269-L271 PolarHBondContact O-N 3.12Å; N269-L271 PolarHBondContact OD1-N 3.03Å; L271-V397 HydrophobicContact CD1-CB 4.47Å; L271-V397 HydrophobicContact CD1-CG1 3.82Å; L271-V397 HydrophobicContact CG-CG1 3.77Å; L271-M398 HydrophobicContact CD1-CB 4.47Å; L271-M398 HydrophobicContact CD1-CG 4.08Å; L271-C401 HydrophobicContact CB-CB 4.39Å; L271-C401 HydrophobicContact CD1-CB 4.27Å; L271-K419 HydrophobicContact CB-CD 4.23Å; L271-K419 HydrophobicContact CD1-CD 4.08Å; L271-K419 HydrophobicContact CD2-CD 4.37Å; L271-K419 HydrophobicContact CG-CD 4.45Å
272	I	94.7	Very high	95.8	Very high	22 Å²	22	27.1 Å²	27.1	11%	0.113	13%	0.131	C	C	.	.	S	Bend	trans	-89.3	164.1	165	59.7	170.6	0	0	0	110.9	H268 N269 S274 G275 A276	H268-I272 HydrophobicContact CB-CD1 4.16Å; N269-I272 WeakPolarHBondContact O-CG1 3.37Å; N269-I272 PolarHBondContact OD1-N 2.8Å; I272-S274 WeakPolarHBondContact CD1-OG 3.47Å; I272-S274 PolarHBondContact O-N 3.26Å; I272-G275 PolarHBondContact O-N 3.37Å; I272-A276 WeakPolarHBondContact O-CB 3.45Å; I272-A276 PolarHBondContact O-N 3.3Å
273	N	94.5	Very high	95.9	Very high	32 Å²	32	25.8 Å²	25.8	17%	0.171	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-44.4	-174.5	-67.2	3.7	0	0	0	112.5	K227 G275 A276 L277 N326 I329 Y352	K227-N273 PolarHBondContact NZ-OD1 3.19Å; N273-G275 VanDerWaalsContact C-N 3.33Å; N273-G275 PolarHBondContact O-N 3.43Å; N273-A276 PolarHBondContact O-N 2.88Å; N273-L277 WeakPolarHBondContact O-CG 3.47Å; N273-L277 PolarHBondContact O-N 3.26Å; N273-N326 PolarHBondContact ND2-OD1 3.43Å; N273-I329 HydrophobicContact CB-CD1 4.48Å; N273-Y352 PolarHBondContact OD1-OH 3.24Å
274	S	95.2	Very high	96.1	Very high	11 Å²	11	21.1 Å²	21.1	8%	0.077	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-41	177.4	50	0	0	0	0	112.3	P267 I272 L277 A278 M333	P267-S274 WeakPolarHBondContact CG-O 3.15Å; I272-S274 WeakPolarHBondContact CD1-OG 3.47Å; I272-S274 PolarHBondContact O-N 3.26Å; S274-L277 PolarHBondContact O-N 3.48Å; S274-A278 PolarHBondContact O-N 2.96Å; S274-M333 VanDerWaalsContact CA-SD 3.59Å; S274-M333 VanDerWaalsContact CB-SD 3.53Å; S274-M333 WeakPolarHBondContact O-CE 3.48Å
275	G	96.4	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.6	-41.9	175.6	0	0	0	0	0	112.7	N269 I272 N273 L277 A278 I279	N269-G275 WeakPolarHBondContact O-CA 3.33Å; I272-G275 PolarHBondContact O-N 3.37Å; N273-G275 VanDerWaalsContact C-N 3.33Å; N273-G275 PolarHBondContact O-N 3.43Å; G275-L277 VanDerWaalsContact C-N 3.33Å; G275-L277 PolarHBondContact O-N 3.17Å; G275-A278 WeakPolarHBondContact O-CB 3.41Å; G275-A278 PolarHBondContact O-N 3.04Å; G275-I279 WeakPolarHBondContact O-CG1 3.47Å; G275-I279 PolarHBondContact O-N 3.12Å
276	A	97	Very high	96.2	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-37.8	176.7	0	0	0	0	0	112.2	K227 P270 I272 N273 I279 C280 Y352	K227-A276 HydrophobicContact CD-CB 3.89Å; K227-A276 HydrophobicContact CG-CB 3.79Å; P270-A276 PolarHBondContact O-N 3.47Å; I272-A276 WeakPolarHBondContact O-CB 3.45Å; I272-A276 PolarHBondContact O-N 3.3Å; N273-A276 PolarHBondContact O-N 2.88Å; A276-I279 PolarHBondContact O-N 2.9Å; A276-C280 WeakPolarHBondContact O-CB 3.23Å; A276-C280 PolarHBondContact O-N 3.45Å; A276-C280 PolarHBondContact O-SG 2.85Å; A276-Y352 HydrophobicContact CB-CD2 4.22Å; A276-Y352 HydrophobicContact CB-CE2 3.62Å
277	L	97	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-42.7	171.7	-71.7	169.9	0	0	0	111.7	N273 S274 G275 I279 C280 S281 I329 A330 M333 F339 M349 Y352	N273-L277 WeakPolarHBondContact O-CG 3.47Å; N273-L277 PolarHBondContact O-N 3.26Å; S274-L277 PolarHBondContact O-N 3.48Å; G275-L277 VanDerWaalsContact C-N 3.33Å; G275-L277 PolarHBondContact O-N 3.17Å; L277-I279 VanDerWaalsContact C-N 3.34Å; L277-I279 PolarHBondContact O-N 3.07Å; L277-C280 PolarHBondContact O-N 3.4Å; L277-S281 PolarHBondContact O-N 2.86Å; L277-I329 HydrophobicContact CD1-CG2 4.14Å; L277-A330 HydrophobicContact CD1-CB 4.14Å; L277-M333 HydrophobicContact CB-CE 4.42Å; L277-M333 HydrophobicContact CB-SD 4.39Å; L277-M333 HydrophobicContact CD1-SD 4.49Å; L277-F339 HydrophobicContact CB-CE1 4.38Å; L277-M349 HydrophobicContact CD1-SD 4.29Å; L277-M349 HydrophobicContact CD2-SD 3.66Å; L277-Y352 HydrophobicContact CD2-CD1 4.09Å; L277-Y352 HydrophobicContact CD2-CD2 4.18Å; L277-Y352 HydrophobicContact CD2-CG 3.74Å
278	A	97.2	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-44.1	174.5	0	0	0	0	0	111.5	V247 P267 S274 G275 S281 I282 M333	V247-A278 HydrophobicContact CB-CB 4.34Å; P267-A278 HydrophobicContact CG-CB 4.18Å; S274-A278 PolarHBondContact O-N 2.96Å; G275-A278 WeakPolarHBondContact O-CB 3.41Å; G275-A278 PolarHBondContact O-N 3.04Å; A278-S281 PolarHBondContact O-N 2.86Å; A278-S281 PolarHBondContact O-OG 2.9Å; A278-I282 PolarHBondContact O-N 2.88Å; A278-M333 HydrophobicContact CB-CE 3.91Å
279	I	98.2	Very high	96	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-47	174.1	-66.6	-56	0	0	0	111.5	Y231 A234 V243 V247 P270 G275 A276 L277 S281 I282 L283	Y231-I279 HydrophobicContact CD2-CD1 3.81Å; Y231-I279 HydrophobicContact CD2-CG1 4.34Å; Y231-I279 HydrophobicContact CE2-CD1 4.49Å; A234-I279 HydrophobicContact CB-CD1 4.31Å; A234-I279 HydrophobicContact CB-CG2 4.03Å; V243-I279 HydrophobicContact CG1-CD1 3.63Å; V247-I279 HydrophobicContact CG1-CD1 3.77Å; V247-I279 HydrophobicContact CG1-CG1 4.46Å; P270-I279 HydrophobicContact CB-CD1 4.41Å; P270-I279 HydrophobicContact CB-CG1 3.88Å; G275-I279 WeakPolarHBondContact O-CG1 3.47Å; G275-I279 PolarHBondContact O-N 3.12Å; A276-I279 PolarHBondContact O-N 2.9Å; L277-I279 VanDerWaalsContact C-N 3.34Å; L277-I279 PolarHBondContact O-N 3.07Å; I279-S281 PolarHBondContact O-N 3.37Å; I279-I282 HydrophobicContact CD1-CD1 4.36Å; I279-I282 VanDerWaalsContact O-CG1 3.28Å; I279-I282 WeakPolarHBondContact O-CG1 3.45Å; I279-I282 PolarHBondContact O-N 3.46Å; I279-I282 VanDerWaalsContact O-N 3.14Å; I279-L283 WeakPolarHBondContact O-CB 3.26Å; I279-L283 PolarHBondContact O-N 2.93Å
280	C	97.7	Very high	96	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-30	178.1	-67.8	0	0	0	0	112	A276 L277 I282 R292 L348 F351	A276-C280 WeakPolarHBondContact O-CB 3.23Å; A276-C280 PolarHBondContact O-N 3.45Å; A276-C280 PolarHBondContact O-SG 2.85Å; L277-C280 PolarHBondContact O-N 3.4Å; C280-I282 VanDerWaalsContact C-N 3.3Å; C280-I282 PolarHBondContact O-N 3.39Å; C280-R292 PolarHBondContact O-NH2 2.98Å; C280-L348 VanDerWaalsContact C-CD1 3.46Å; C280-L348 HydrophobicContact CB-CD1 3.53Å; C280-F351 HydrophobicContact CB-CD1 4.02Å; C280-F351 HydrophobicContact CB-CE1 4.38Å
281	S	97	Very high	96	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-25.5	178.4	78.5	0	0	0	0	113.9	L277 A278 I279 P340 L348	L277-S281 PolarHBondContact O-N 2.86Å; A278-S281 PolarHBondContact O-N 2.86Å; A278-S281 PolarHBondContact O-OG 2.9Å; I279-S281 PolarHBondContact O-N 3.37Å; S281-P340 WeakPolarHBondContact OG-CD 3.37Å; S281-L348 VanDerWaalsContact N-CD1 3.34Å
282	I	97.1	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-106.6	-9.4	-177.1	63.5	173.7	0	0	0	113.5	L238 Y242 V243 Y246 A278 I279 C280 Q284 P285 P340	L238-I282 HydrophobicContact CD1-CB 4.14Å; L238-I282 HydrophobicContact CD1-CD1 4.15Å; L238-I282 HydrophobicContact CD1-CG1 4.16Å; L238-I282 WeakPolarHBondContact CD1-O 3.44Å; Y242-I282 HydrophobicContact CE1-CB 4.37Å; Y242-I282 HydrophobicContact CE1-CG2 4.35Å; V243-I282 HydrophobicContact CB-CD1 4.36Å; V243-I282 HydrophobicContact CG1-CD1 4.34Å; V243-I282 HydrophobicContact CG2-CD1 4.05Å; Y246-I282 HydrophobicContact CD1-CG2 4.33Å; Y246-I282 HydrophobicContact CD2-CD1 4.25Å; Y246-I282 HydrophobicContact CD2-CG2 3.78Å; Y246-I282 HydrophobicContact CE1-CG2 4.39Å; Y246-I282 HydrophobicContact CE2-CG2 3.86Å; Y246-I282 HydrophobicContact CG-CG2 4.02Å; A278-I282 PolarHBondContact O-N 2.88Å; I279-I282 HydrophobicContact CD1-CD1 4.36Å; I279-I282 VanDerWaalsContact O-CG1 3.28Å; I279-I282 WeakPolarHBondContact O-CG1 3.45Å; I279-I282 PolarHBondContact O-N 3.46Å; I279-I282 VanDerWaalsContact O-N 3.14Å; C280-I282 VanDerWaalsContact C-N 3.3Å; C280-I282 PolarHBondContact O-N 3.39Å; I282-Q284 PolarHBondContact O-N 2.94Å; I282-P285 WeakPolarHBondContact O-CD 3.42Å; I282-P340 HydrophobicContact CG2-CG 4.31Å
283	L	96.8	Very high	96.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	-79.7	108.1	-178.5	-169.7	65.8	0	0	0	110.6	T230 L233 A234 I279 R292 Y295 V296 F351	T230-L283 HydrophobicContact CG2-CD2 4.47Å; L233-L283 HydrophobicContact CB-CD1 4.11Å; A234-L283 HydrophobicContact CB-CD1 4.17Å; I279-L283 WeakPolarHBondContact O-CB 3.26Å; I279-L283 PolarHBondContact O-N 2.93Å; L283-R292 PolarHBondContact O-NE 2.87Å; L283-R292 VanDerWaalsContact O-NE 3.14Å; L283-R292 PolarHBondContact O-NH2 3.11Å; L283-Y295 HydrophobicContact CD1-CE1 4.16Å; L283-Y295 HydrophobicContact CG-CE1 4.42Å; L283-V296 HydrophobicContact CD2-CG2 3.75Å; L283-F351 HydrophobicContact CD2-CZ 4.46Å
284	Q	95.8	Very high	96.2	Very high	57 Å²	57	39.9 Å²	39.9	27%	0.266	22%	0.215	S	C	.	.	S	Bend	trans	49.9	55.1	179.6	-60.1	-63.4	-31.7	0	0	113.8	D237 I282 N286 L287 R292 Y295	D237-Q284 PolarHBondContact OD2-NE2 3.08Å; I282-Q284 PolarHBondContact O-N 2.94Å; Q284-N286 PolarHBondContact O-N 3.47Å; Q284-L287 HydrophobicContact CB-CD1 3.88Å; Q284-L287 HydrophobicContact CB-CG 4.26Å; Q284-L287 HydrophobicContact CG-CD1 4.3Å; Q284-L287 PolarHBondContact O-N 2.89Å; Q284-R292 VanDerWaalsContact O-CD 3.29Å; Q284-R292 WeakPolarHBondContact O-CD 3.45Å; Q284-R292 VanDerWaalsContact O-CG 3.29Å; Q284-R292 WeakPolarHBondContact O-CG 3.4Å; Q284-R292 PolarHBondContact O-NE 3.18Å; Q284-R292 VanDerWaalsContact O-NE 3.14Å; Q284-Y295 HydrophobicContact CB-CD1 4.49Å; Q284-Y295 HydrophobicContact CG-CD1 3.52Å; Q284-Y295 HydrophobicContact CG-CD2 4.17Å; Q284-Y295 HydrophobicContact CG-CE1 3.6Å; Q284-Y295 HydrophobicContact CG-CE2 4.26Å; Q284-Y295 HydrophobicContact CG-CG 3.82Å
285	P	93.7	Very high	96.4	Very high	63 Å²	63	41.3 Å²	41.3	41%	0.409	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.6	-168.6	31.4	-36.5	0	0	0	113.8	I282	I282-P285 WeakPolarHBondContact O-CD 3.42Å
286	N	93.5	Very high	96.5	Very high	160 Å²	160	41.3 Å²	41.3	86%	0.856	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.9	-178	-59.5	-32.1	0	0	0	113.2	Q284	Q284-N286 PolarHBondContact O-N 3.47Å
287	L	94.8	Very high	96.5	Very high	60 Å²	60	43.7 Å²	43.7	31%	0.314	23%	0.23	S	C	.	.	S	Bend	trans	-81.8	151.4	175.6	-65.9	-177.1	0	0	0	109.7	Q284 E291 R292	Q284-L287 HydrophobicContact CB-CD1 3.88Å; Q284-L287 HydrophobicContact CB-CG 4.26Å; Q284-L287 HydrophobicContact CG-CD1 4.3Å; Q284-L287 PolarHBondContact O-N 2.89Å; L287-E291 HydrophobicContact CB-CB 3.94Å; L287-E291 HydrophobicContact CD1-CB 4.28Å; L287-E291 HydrophobicContact CD2-CB 4.44Å; L287-E291 HydrophobicContact CG-CB 4.45Å; L287-R292 HydrophobicContact CB-CG 3.53Å; L287-R292 VanDerWaalsContact O-CD 3.25Å; L287-R292 WeakPolarHBondContact O-CD 3.38Å; L287-R292 WeakPolarHBondContact O-CG 3.46Å
288	N	94.3	Very high	96.5	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	25%	0.25	S	S	.	.			trans	-69.1	161.4	172.5	73	60.2	0	0	0	110.9	S290 E291 R292	N288-S290 VanDerWaalsContact C-N 3.28Å; N288-S290 PolarHBondContact O-N 3.32Å; N288-S290 VanDerWaalsContact O-N 3.13Å; N288-S290 WeakPolarHBondContact OD1-CB 3.38Å; N288-S290 PolarHBondContact OD1-N 3.24Å; N288-S290 VanDerWaalsContact OD1-N 3.13Å; N288-E291 PolarHBondContact N-OE2 3.34Å; N288-E291 WeakPolarHBondContact ND2-CG 3.46Å; N288-E291 PolarHBondContact ND2-OE1 3.42Å; N288-E291 PolarHBondContact ND2-OE2 2.93Å; N288-E291 PolarHBondContact O-N 2.88Å; N288-E291 VanDerWaalsContact O-N 3.09Å; N288-E291 PolarHBondContact OD1-N 2.95Å; N288-E291 VanDerWaalsContact OD1-N 3.07Å; N288-R292 WeakPolarHBondContact O-CG 3.34Å; N288-R292 PolarHBondContact O-N 2.78Å
289	P	94	Very high	96.5	Very high	58 Å²	58	49.4 Å²	49.4	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-52.6	-40.1	-174	-30.6	36.6	0	0	0	115.1	R292 F293 E347	P289-R292 PolarHBondContact O-N 3.35Å; P289-F293 PolarHBondContact O-N 2.9Å; P289-F293 VanDerWaalsContact O-N 3.11Å; P289-E347 HydrophobicContact CG-CG 4.28Å
290	S	95.9	Very high	96.5	Very high	89 Å²	89	49.4 Å²	49.4	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-67.5	-45.4	179	-176.7	0	0	0	0	111.9	N288 R292 F293 K294	N288-S290 VanDerWaalsContact C-N 3.28Å; N288-S290 PolarHBondContact O-N 3.32Å; N288-S290 VanDerWaalsContact O-N 3.13Å; N288-S290 WeakPolarHBondContact OD1-CB 3.38Å; N288-S290 PolarHBondContact OD1-N 3.24Å; N288-S290 VanDerWaalsContact OD1-N 3.13Å; S290-R292 VanDerWaalsContact C-N 3.31Å; S290-R292 PolarHBondContact O-N 3.46Å; S290-F293 PolarHBondContact O-N 3.2Å; S290-K294 WeakPolarHBondContact O-CB 3.47Å; S290-K294 PolarHBondContact O-N 3.44Å
291	E	97.6	Very high	96.6	Very high	95 Å²	95	51 Å²	51	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-35.2	176.8	-72.1	175.3	158.5	0	0	112.4	L287 N288 K294 Y295	L287-E291 HydrophobicContact CB-CB 3.94Å; L287-E291 HydrophobicContact CD1-CB 4.28Å; L287-E291 HydrophobicContact CD2-CB 4.44Å; L287-E291 HydrophobicContact CG-CB 4.45Å; N288-E291 PolarHBondContact N-OE2 3.34Å; N288-E291 WeakPolarHBondContact ND2-CG 3.46Å; N288-E291 PolarHBondContact ND2-OE1 3.42Å; N288-E291 PolarHBondContact ND2-OE2 2.93Å; N288-E291 PolarHBondContact O-N 2.88Å; N288-E291 VanDerWaalsContact O-N 3.09Å; N288-E291 PolarHBondContact OD1-N 2.95Å; N288-E291 VanDerWaalsContact OD1-N 3.07Å; E291-K294 PolarHBondContact O-N 2.83Å; E291-Y295 WeakPolarHBondContact O-CB 3.34Å; E291-Y295 PolarHBondContact O-N 3.22Å
292	R	96.6	Very high	96.6	Very high	21 Å²	21	54.1 Å²	54.1	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-45.8	174.2	-69.2	179.8	75.8	-167.5	2.6	111.7	C280 L283 Q284 L287 N288 P289 S290 Y295 V296 F351	C280-R292 PolarHBondContact O-NH2 2.98Å; L283-R292 PolarHBondContact O-NE 2.87Å; L283-R292 VanDerWaalsContact O-NE 3.14Å; L283-R292 PolarHBondContact O-NH2 3.11Å; Q284-R292 VanDerWaalsContact O-CD 3.29Å; Q284-R292 WeakPolarHBondContact O-CD 3.45Å; Q284-R292 VanDerWaalsContact O-CG 3.29Å; Q284-R292 WeakPolarHBondContact O-CG 3.4Å; Q284-R292 PolarHBondContact O-NE 3.18Å; Q284-R292 VanDerWaalsContact O-NE 3.14Å; L287-R292 HydrophobicContact CB-CG 3.53Å; L287-R292 VanDerWaalsContact O-CD 3.25Å; L287-R292 WeakPolarHBondContact O-CD 3.38Å; L287-R292 WeakPolarHBondContact O-CG 3.46Å; N288-R292 WeakPolarHBondContact O-CG 3.34Å; N288-R292 PolarHBondContact O-N 2.78Å; P289-R292 PolarHBondContact O-N 3.35Å; S290-R292 VanDerWaalsContact C-N 3.31Å; S290-R292 PolarHBondContact O-N 3.46Å; R292-Y295 WeakPolarHBondContact O-CB 3.42Å; R292-Y295 PolarHBondContact O-N 3.47Å; R292-V296 PolarHBondContact O-N 3.07Å; R292-F351 HydrophobicContact CB-CD2 4.31Å; R292-F351 HydrophobicContact CB-CE2 3.81Å; R292-F351 HydrophobicContact CB-CZ 3.96Å
293	F	97.6	Very high	96.7	Very high	30 Å²	30	54 Å²	54	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-44.9	174.8	-175.7	-103.1	0	0	0	111.4	P289 S290 Y295 V296 E297 F311 Q354 I358	P289-F293 PolarHBondContact O-N 2.9Å; P289-F293 VanDerWaalsContact O-N 3.11Å; S290-F293 PolarHBondContact O-N 3.2Å; F293-Y295 VanDerWaalsContact C-N 3.27Å; F293-Y295 PolarHBondContact O-N 2.97Å; F293-V296 PolarHBondContact O-N 3.3Å; F293-V296 VanDerWaalsContact O-N 3.12Å; F293-E297 WeakPolarHBondContact O-CB 3.49Å; F293-E297 PolarHBondContact O-N 2.82Å; F293-F311 HydrophobicContact CE1-CD2 4.43Å; F293-F311 HydrophobicContact CE2-CD2 4.22Å; F293-F311 HydrophobicContact CE2-CE2 4.25Å; F293-F311 AromaticContact CZ-CD2 3.6Å; F293-F311 HydrophobicContact CZ-CD2 3.6Å; F293-F311 HydrophobicContact CZ-CE2 4.02Å; F293-F311 HydrophobicContact CZ-CG 4.24Å; F293-Q354 HydrophobicContact CD2-CB 3.66Å; F293-Q354 HydrophobicContact CD2-CG 4.47Å; F293-Q354 HydrophobicContact CE2-CB 3.74Å; F293-I358 HydrophobicContact CE2-CD1 4.05Å; F293-I358 HydrophobicContact CE2-CG1 3.9Å; F293-I358 HydrophobicContact CZ-CD1 4.37Å; F293-I358 HydrophobicContact CZ-CG1 3.97Å
294	K	97.5	Very high	96.7	Very high	106 Å²	106	54 Å²	54	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-56.8	-40	175.3	-161.5	79.9	-166.7	153.7	0	112.2	S290 E291 E297 N298	S290-K294 WeakPolarHBondContact O-CB 3.47Å; S290-K294 PolarHBondContact O-N 3.44Å; E291-K294 PolarHBondContact O-N 2.83Å; K294-E297 IonicContact NZ-OE2 3.9Å; K294-E297 PolarHBondContact NZ-OE2 3.42Å; K294-N298 VanDerWaalsContact O-CB 3.28Å; K294-N298 WeakPolarHBondContact O-CB 3.32Å; K294-N298 PolarHBondContact O-N 3.29Å; K294-N298 PolarHBondContact O-ND2 3.09Å
295	Y	98.2	Very high	96.8	Very high	40 Å²	40	52.2 Å²	52.2	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-50	175.4	173.1	-98	0	0	0	111.5	D237 L283 Q284 E291 R292 F293 N298 K299	D237-Y295 PolarHBondContact OD1-OH 3.08Å; D237-Y295 VanDerWaalsContact OD1-OH 3.1Å; D237-Y295 VanDerWaalsContact OD2-CZ 3.29Å; D237-Y295 PolarHBondContact OD2-OH 3.37Å; L283-Y295 HydrophobicContact CD1-CE1 4.16Å; L283-Y295 HydrophobicContact CG-CE1 4.42Å; Q284-Y295 HydrophobicContact CB-CD1 4.49Å; Q284-Y295 HydrophobicContact CG-CD1 3.52Å; Q284-Y295 HydrophobicContact CG-CD2 4.17Å; Q284-Y295 HydrophobicContact CG-CE1 3.6Å; Q284-Y295 HydrophobicContact CG-CE2 4.26Å; Q284-Y295 HydrophobicContact CG-CG 3.82Å; E291-Y295 WeakPolarHBondContact O-CB 3.34Å; E291-Y295 PolarHBondContact O-N 3.22Å; R292-Y295 WeakPolarHBondContact O-CB 3.42Å; R292-Y295 PolarHBondContact O-N 3.47Å; F293-Y295 VanDerWaalsContact C-N 3.27Å; F293-Y295 PolarHBondContact O-N 2.97Å; Y295-N298 PolarHBondContact O-N 3.17Å; Y295-K299 HydrophobicContact CE1-CG 4.17Å; Y295-K299 HydrophobicContact CE2-CG 4.08Å; Y295-K299 WeakPolarHBondContact O-CG 3.48Å; Y295-K299 PolarHBondContact O-N 3.43Å; Y295-K299 WeakPolarHBondContact OH-CE 3.26Å
296	V	98	Very high	96.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-46	179.6	178.4	0	0	0	0	111.2	T230 L283 R292 F293 N298 K299 F300 F351 I355 I358	T230-V296 HydrophobicContact CG2-CG1 4.42Å; L283-V296 HydrophobicContact CD2-CG2 3.75Å; R292-V296 PolarHBondContact O-N 3.07Å; F293-V296 PolarHBondContact O-N 3.3Å; F293-V296 VanDerWaalsContact O-N 3.12Å; V296-N298 VanDerWaalsContact C-N 3.35Å; V296-N298 PolarHBondContact O-N 2.85Å; V296-K299 PolarHBondContact O-N 2.85Å; V296-F300 HydrophobicContact CG1-CD2 3.7Å; V296-F300 HydrophobicContact CG1-CE2 3.43Å; V296-F300 VanDerWaalsContact CG1-CE2 3.43Å; V296-F300 HydrophobicContact CG1-CZ 4.05Å; V296-F300 VanDerWaalsContact O-CD2 3.23Å; V296-F300 WeakPolarHBondContact O-CD2 3.49Å; V296-F300 PolarHBondContact O-N 2.92Å; V296-F351 HydrophobicContact CG2-CE2 4.07Å; V296-F351 HydrophobicContact CG2-CZ 3.71Å; V296-I355 HydrophobicContact CG1-CD1 4.29Å; V296-I355 HydrophobicContact CG1-CG1 4.1Å; V296-I355 HydrophobicContact CG1-CG2 4.47Å; V296-I355 HydrophobicContact CG2-CD1 4.12Å; V296-I358 HydrophobicContact CG1-CD1 4.3Å
297	E	97.3	Very high	97	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-49.3	176.2	-177.9	-171	-138.6	0	0	111.3	F293 K294 K299 F300 S301 M309	F293-E297 WeakPolarHBondContact O-CB 3.49Å; F293-E297 PolarHBondContact O-N 2.82Å; K294-E297 IonicContact NZ-OE2 3.9Å; K294-E297 PolarHBondContact NZ-OE2 3.42Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 2.97Å; E297-F300 PolarHBondContact O-N 3.3Å; E297-S301 WeakPolarHBondContact O-CB 3.49Å; E297-S301 PolarHBondContact O-N 3.45Å; E297-M309 WeakPolarHBondContact O-CE 3.49Å
298	N	97.5	Very high	96.8	Very high	79 Å²	79	48.9 Å²	48.9	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-41.5	178.3	-73.2	-19.2	0	0	0	111.9	K294 Y295 V296 S301 Q302	K294-N298 VanDerWaalsContact O-CB 3.28Å; K294-N298 WeakPolarHBondContact O-CB 3.32Å; K294-N298 PolarHBondContact O-N 3.29Å; K294-N298 PolarHBondContact O-ND2 3.09Å; Y295-N298 PolarHBondContact O-N 3.17Å; V296-N298 VanDerWaalsContact C-N 3.35Å; V296-N298 PolarHBondContact O-N 2.85Å; N298-S301 PolarHBondContact O-N 3.31Å; N298-Q302 WeakPolarHBondContact O-CG 3.2Å; N298-Q302 PolarHBondContact O-N 3.28Å
299	K	98.2	Very high	96.8	Very high	41 Å²	41	47.1 Å²	47.1	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-41.2	177.9	-74.2	-66.2	-176.3	-177.6	0	112.3	L233 Y295 V296 E297 S301 Q302 M303 V385	L233-K299 HydrophobicContact CD1-CB 3.64Å; L233-K299 HydrophobicContact CD1-CG 4.07Å; L233-K299 HydrophobicContact CD2-CB 3.77Å; L233-K299 HydrophobicContact CD2-CD 3.77Å; L233-K299 HydrophobicContact CD2-CG 3.74Å; L233-K299 HydrophobicContact CG-CB 4.37Å; Y295-K299 HydrophobicContact CE1-CG 4.17Å; Y295-K299 HydrophobicContact CE2-CG 4.08Å; Y295-K299 WeakPolarHBondContact O-CG 3.48Å; Y295-K299 PolarHBondContact O-N 3.43Å; Y295-K299 WeakPolarHBondContact OH-CE 3.26Å; V296-K299 PolarHBondContact O-N 2.85Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 2.97Å; K299-S301 VanDerWaalsContact C-N 3.33Å; K299-Q302 PolarHBondContact O-N 3.47Å; K299-M303 WeakPolarHBondContact O-CG 3.3Å; K299-M303 PolarHBondContact O-N 3.3Å; K299-V385 HydrophobicContact CD-CG1 4.01Å
300	F	98.3	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-42.5	174.2	-82.5	-138.5	0	0	0	110.3	I222 I229 T230 L233 V296 E297 Q302 M303 A304 M309 I355 I358 M368	I222-F300 HydrophobicContact CD1-CD1 4.23Å; I222-F300 HydrophobicContact CD1-CE1 3.7Å; I229-F300 HydrophobicContact CB-CE2 3.79Å; I229-F300 HydrophobicContact CB-CZ 3.83Å; I229-F300 HydrophobicContact CD1-CD1 4.36Å; I229-F300 HydrophobicContact CD1-CE1 4.01Å; I229-F300 HydrophobicContact CD1-CE2 4.46Å; I229-F300 HydrophobicContact CD1-CZ 4.05Å; I229-F300 HydrophobicContact CG2-CD2 3.65Å; I229-F300 HydrophobicContact CG2-CE2 3.25Å; I229-F300 HydrophobicContact CG2-CG 4.47Å; I229-F300 HydrophobicContact CG2-CZ 3.81Å; T230-F300 HydrophobicContact CG2-CE2 4.23Å; T230-F300 HydrophobicContact CG2-CZ 4.26Å; L233-F300 HydrophobicContact CD1-CE2 4.39Å; V296-F300 HydrophobicContact CG1-CD2 3.7Å; V296-F300 HydrophobicContact CG1-CE2 3.43Å; V296-F300 VanDerWaalsContact CG1-CE2 3.43Å; V296-F300 HydrophobicContact CG1-CZ 4.05Å; V296-F300 VanDerWaalsContact O-CD2 3.23Å; V296-F300 WeakPolarHBondContact O-CD2 3.49Å; V296-F300 PolarHBondContact O-N 2.92Å; E297-F300 PolarHBondContact O-N 3.3Å; F300-Q302 PolarHBondContact O-N 3.38Å; F300-M303 CarbonylContact O-C 3.54Å; F300-M303 PolarHBondContact O-N 2.98Å; F300-A304 WeakPolarHBondContact O-CB 3.26Å; F300-A304 PolarHBondContact O-N 2.92Å; F300-M309 HydrophobicContact CB-CE 3.51Å; F300-M309 HydrophobicContact CB-SD 3.86Å; F300-I355 HydrophobicContact CZ-CG2 4.36Å; F300-I358 HydrophobicContact CD1-CD1 4.2Å; F300-I358 HydrophobicContact CD1-CG2 4.42Å; F300-I358 HydrophobicContact CE1-CD1 4.2Å; F300-M368 HydrophobicContact CB-SD 4.34Å; F300-M368 HydrophobicContact CD1-SD 4.19Å; F300-M368 HydrophobicContact CG-SD 4.39Å
301	S	97.9	Very high	97	Very high	37 Å²	37	44.6 Å²	44.6	26%	0.259	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-43.6	176.6	-172.9	0	0	0	0	111.6	E297 N298 K299 M303 A304 A305 G306 M309	E297-S301 WeakPolarHBondContact O-CB 3.49Å; E297-S301 PolarHBondContact O-N 3.45Å; N298-S301 PolarHBondContact O-N 3.31Å; K299-S301 VanDerWaalsContact C-N 3.33Å; S301-M303 PolarHBondContact O-N 3.01Å; S301-A304 CarbonylContact O-C 3.57Å; S301-A304 WeakPolarHBondContact O-CA 3.48Å; S301-A304 PolarHBondContact O-N 3.38Å; S301-A304 VanDerWaalsContact O-N 3.08Å; S301-A305 PolarHBondContact O-N 2.92Å; S301-A305 VanDerWaalsContact O-N 3.08Å; S301-G306 PolarHBondContact O-N 3.48Å; S301-M309 VanDerWaalsContact N-CE 3.31Å
302	Q	98.1	Very high	97	Very high	70 Å²	70	41.7 Å²	41.7	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-59.4	-44.4	173	-75	174	-1	0	0	112	N298 K299 F300 A304 A305 N378 V385	N298-Q302 WeakPolarHBondContact O-CG 3.2Å; N298-Q302 PolarHBondContact O-N 3.28Å; K299-Q302 PolarHBondContact O-N 3.47Å; F300-Q302 PolarHBondContact O-N 3.38Å; Q302-A304 PolarHBondContact O-N 3.39Å; Q302-A305 PolarHBondContact O-N 2.87Å; Q302-N378 PolarHBondContact O-ND2 3.27Å; Q302-V385 HydrophobicContact CB-CG1 3.91Å; Q302-V385 HydrophobicContact CB-CG2 3.91Å
303	M	98.5	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-25.3	175.1	-67.4	-170.2	68.6	0	0	113	I229 K299 F300 S301 I367 M368 T371 L372 N378 V385	I229-M303 HydrophobicContact CG2-CE 4.47Å; I229-M303 HydrophobicContact CG2-SD 3.49Å; I229-M303 WeakPolarHBondContact CG2-SD 3.35Å; K299-M303 WeakPolarHBondContact O-CG 3.3Å; K299-M303 PolarHBondContact O-N 3.3Å; F300-M303 CarbonylContact O-C 3.54Å; F300-M303 PolarHBondContact O-N 2.98Å; S301-M303 PolarHBondContact O-N 3.01Å; M303-I367 CarbonylContact O-C 3.14Å; M303-I367 WeakPolarHBondContact O-CG2 3.49Å; M303-M368 HydrophobicContact CB-CB 4.22Å; M303-M368 HydrophobicContact CB-CG 3.66Å; M303-M368 HydrophobicContact CB-SD 4.45Å; M303-M368 WeakPolarHBondContact CE-O 3.38Å; M303-M368 WeakPolarHBondContact O-CA 3.27Å; M303-M368 PolarHBondContact O-N 2.69Å; M303-T371 HydrophobicContact CB-CG2 4.49Å; M303-T371 HydrophobicContact CE-CG2 3.93Å; M303-T371 HydrophobicContact CG-CG2 4.16Å; M303-T371 PolarHBondContact O-OG1 3.38Å; M303-L372 HydrophobicContact CE-CD2 4.02Å; M303-L372 HydrophobicContact CE-CG 3.85Å; M303-N378 PolarHBondContact O-ND2 2.89Å; M303-V385 HydrophobicContact CG-CB 3.91Å; M303-V385 HydrophobicContact CG-CG1 3.5Å; M303-V385 VanDerWaalsContact CG-CG1 3.5Å; M303-V385 HydrophobicContact CG-CG2 4.27Å; M303-V385 HydrophobicContact SD-CG1 4.48Å
304	A	98.2	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.8	176.9	0	0	0	0	0	113.7	F300 S301 Q302 G306 L307 M309 M368	F300-A304 WeakPolarHBondContact O-CB 3.26Å; F300-A304 PolarHBondContact O-N 2.92Å; S301-A304 CarbonylContact O-C 3.57Å; S301-A304 WeakPolarHBondContact O-CA 3.48Å; S301-A304 PolarHBondContact O-N 3.38Å; S301-A304 VanDerWaalsContact O-N 3.08Å; Q302-A304 PolarHBondContact O-N 3.39Å; A304-G306 VanDerWaalsContact C-N 3.28Å; A304-G306 PolarHBondContact O-N 3.2Å; A304-L307 HydrophobicContact CB-CB 4.48Å; A304-L307 WeakPolarHBondContact O-CB 3.48Å; A304-L307 WeakPolarHBondContact O-CG 3.36Å; A304-L307 PolarHBondContact O-N 2.99Å; A304-M309 HydrophobicContact CB-SD 4.31Å; A304-M368 HydrophobicContact CB-CG 3.98Å
305	A	97.3	Very high	97	Very high	20 Å²	20	40.7 Å²	40.7	17%	0.165	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	34.3	-178.5	0	0	0	0	0	114.3	S301 Q302 L307 I367 N378 L380 T381	S301-A305 PolarHBondContact O-N 2.92Å; S301-A305 VanDerWaalsContact O-N 3.08Å; Q302-A305 PolarHBondContact O-N 2.87Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.74Å; A305-I367 HydrophobicContact CB-CG2 4.13Å; A305-N378 PolarHBondContact N-ND2 3.39Å; A305-N378 VanDerWaalsContact N-ND2 3.12Å; A305-L380 HydrophobicContact CB-CB 3.8Å; A305-L380 HydrophobicContact CB-CD1 3.85Å; A305-L380 HydrophobicContact CB-CG 4.37Å; A305-T381 HydrophobicContact CB-CG2 3.88Å
306	G	96.1	Very high	97	Very high	52 Å²	52	39.5 Å²	39.5	54%	0.536	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	8.7	179.3	0	0	0	0	0	114.4	S301 A304	S301-G306 PolarHBondContact O-N 3.48Å; A304-G306 VanDerWaalsContact C-N 3.28Å; A304-G306 PolarHBondContact O-N 3.2Å
307	L	95	Very high	96.9	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.246	25%	0.253	C	S	.	.			trans	-57.9	143.2	174	-77.2	-177.9	0	0	0	110.7	A304 A305 M309 E363 I367	A304-L307 HydrophobicContact CB-CB 4.48Å; A304-L307 WeakPolarHBondContact O-CB 3.48Å; A304-L307 WeakPolarHBondContact O-CG 3.36Å; A304-L307 PolarHBondContact O-N 2.99Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 2.74Å; L307-M309 PolarHBondContact O-N 3.11Å; L307-E363 HydrophobicContact CD1-CB 4.14Å; L307-I367 HydrophobicContact CD1-CD1 3.51Å; L307-I367 HydrophobicContact CG-CD1 4.37Å
308	P	90.3	Very high	96.9	Very high	113 Å²	113	40.7 Å²	40.7	73%	0.734	25%	0.247	S	C	*	.			trans	-56.3	130	176.5	-23.9	33.5	0	0	0	111
309	M	94.5	Very high	96.7	Very high	38 Å²	38	37.7 Å²	37.7	19%	0.187	23%	0.231	C	C	.	.			trans	-124.5	150.1	170.1	-62.4	-177.2	-42.3	0	0	107.7	E297 F300 S301 A304 L307 E359 V360 M368	E297-M309 WeakPolarHBondContact O-CE 3.49Å; F300-M309 HydrophobicContact CB-CE 3.51Å; F300-M309 HydrophobicContact CB-SD 3.86Å; S301-M309 VanDerWaalsContact N-CE 3.31Å; A304-M309 HydrophobicContact CB-SD 4.31Å; L307-M309 PolarHBondContact O-N 3.11Å; M309-E359 WeakPolarHBondContact CA-O 3.44Å; M309-E359 WeakPolarHBondContact CB-O 3.49Å; M309-V360 HydrophobicContact SD-CG1 4.43Å; M309-M368 HydrophobicContact SD-CE 4.36Å
310	G	95.6	Very high	96.5	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-174.3	-179.6	0	0	0	0	0	112.2	E359	G310-E359 PolarHBondContact N-O 2.94Å; G310-E359 PolarHBondContact O-N 3.45Å
311	F	97.9	Very high	96.2	Very high	66 Å²	66	46.8 Å²	46.8	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.5	170.6	174.2	-102.5	0	0	0	108.6	F293 N313 F316 Q354	F293-F311 HydrophobicContact CE1-CD2 4.43Å; F293-F311 HydrophobicContact CE2-CD2 4.22Å; F293-F311 HydrophobicContact CE2-CE2 4.25Å; F293-F311 AromaticContact CZ-CD2 3.6Å; F293-F311 HydrophobicContact CZ-CD2 3.6Å; F293-F311 HydrophobicContact CZ-CE2 4.02Å; F293-F311 HydrophobicContact CZ-CG 4.24Å; F311-N313 HydrophobicContact CD1-CB 4.34Å; F311-N313 HydrophobicContact CE1-CB 3.98Å; F311-N313 PolarHBondContact O-N 3.1Å; F311-F316 HydrophobicContact CE1-CB 4.41Å; F311-F316 HydrophobicContact CE2-CB 4.38Å; F311-F316 HydrophobicContact CZ-CB 3.7Å; F311-F316 HydrophobicContact CZ-CD1 4.15Å; F311-F316 AromaticContact CZ-CG 3.9Å; F311-F316 HydrophobicContact CZ-CG 3.9Å; F311-Q354 HydrophobicContact CE2-CB 4.19Å; F311-Q354 HydrophobicContact CE2-CG 4.35Å; F311-Q354 WeakPolarHBondContact CE2-O 3.44Å; F311-Q354 HydrophobicContact CZ-CG 4.22Å
312	N	97.7	Very high	95.9	Very high	34 Å²	34	48.3 Å²	48.3	18%	0.182	28%	0.278	C	S	.	.			trans	-94.1	94.9	-178.2	-161.1	-53.6	0	0	0	110.7	T221 A314 V315 F316 S357 E359	T221-N312 HydrophobicContact CG2-CB 3.64Å; N312-A314 VanDerWaalsContact C-N 3.28Å; N312-A314 PolarHBondContact O-N 3.4Å; N312-A314 PolarHBondContact OD1-N 3.31Å; N312-V315 HydrophobicContact CB-CB 4.05Å; N312-V315 HydrophobicContact CB-CG2 4.05Å; N312-V315 PolarHBondContact O-N 3.06Å; N312-V315 WeakPolarHBondContact OD1-CG2 3.42Å; N312-V315 PolarHBondContact OD1-N 3.3Å; N312-F316 PolarHBondContact O-N 3.37Å; N312-S357 PolarHBondContact N-O 3.48Å; N312-E359 HydrophobicContact CB-CG 3.74Å; N312-E359 WeakPolarHBondContact CB-OE1 3.36Å; N312-E359 PolarHBondContact ND2-OE1 3.35Å
313	N	97.8	Very high	95.5	Very high	87 Å²	87	45.2 Å²	45.2	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-32.6	-179.6	-172.5	70.7	0	0	0	112.8	F311 F316 L317	F311-N313 HydrophobicContact CD1-CB 4.34Å; F311-N313 HydrophobicContact CE1-CB 3.98Å; F311-N313 PolarHBondContact O-N 3.1Å; N313-F316 PolarHBondContact O-N 2.89Å; N313-L317 WeakPolarHBondContact O-CG 3.4Å; N313-L317 PolarHBondContact O-N 3.38Å
314	A	97.7	Very high	95.1	Very high	45 Å²	45	51.2 Å²	51.2	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-50.1	177.6	0	0	0	0	0	110.8	E190 N312 F316 L317 S318	E190-A314 HydrophobicContact CG-CB 3.98Å; N312-A314 VanDerWaalsContact C-N 3.28Å; N312-A314 PolarHBondContact O-N 3.4Å; N312-A314 PolarHBondContact OD1-N 3.31Å; A314-F316 VanDerWaalsContact C-N 3.31Å; A314-F316 PolarHBondContact O-N 3.44Å; A314-L317 PolarHBondContact O-N 3.24Å; A314-S318 PolarHBondContact O-N 3.29Å; A314-S318 PolarHBondContact O-OG 3.45Å
315	V	97.4	Very high	94.8	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	32%	0.316	C	S	.	.	H	α-helix	trans	-58.4	-42.7	173.9	175.5	0	0	0	0	111.1	I188 E190 T221 N312 L317 S318 E319	I188-V315 HydrophobicContact CD1-CG1 3.95Å; E190-V315 HydrophobicContact CB-CG2 3.57Å; E190-V315 HydrophobicContact CG-CG2 3.95Å; T221-V315 HydrophobicContact CG2-CB 4.03Å; T221-V315 HydrophobicContact CG2-CG1 3.97Å; T221-V315 HydrophobicContact CG2-CG2 3.92Å; N312-V315 HydrophobicContact CB-CB 4.05Å; N312-V315 HydrophobicContact CB-CG2 4.05Å; N312-V315 PolarHBondContact O-N 3.06Å; N312-V315 WeakPolarHBondContact OD1-CG2 3.42Å; N312-V315 PolarHBondContact OD1-N 3.3Å; V315-L317 PolarHBondContact O-N 3.3Å; V315-S318 PolarHBondContact O-N 3.25Å; V315-E319 HydrophobicContact CG1-CG 3.78Å; V315-E319 VanDerWaalsContact O-CB 3.24Å; V315-E319 WeakPolarHBondContact O-CB 3.45Å; V315-E319 WeakPolarHBondContact O-CG 3.48Å; V315-E319 PolarHBondContact O-N 3.05Å
316	F	97.6	Very high	94.6	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-47.4	175.9	163.3	-115.9	0	0	0	112.9	F311 N312 N313 A314 R320 F353 Q354 S357	F311-F316 HydrophobicContact CE1-CB 4.41Å; F311-F316 HydrophobicContact CE2-CB 4.38Å; F311-F316 HydrophobicContact CZ-CB 3.7Å; F311-F316 HydrophobicContact CZ-CD1 4.15Å; F311-F316 AromaticContact CZ-CG 3.9Å; F311-F316 HydrophobicContact CZ-CG 3.9Å; N312-F316 PolarHBondContact O-N 3.37Å; N313-F316 PolarHBondContact O-N 2.89Å; A314-F316 VanDerWaalsContact C-N 3.31Å; A314-F316 PolarHBondContact O-N 3.44Å; F316-R320 VanDerWaalsContact O-CB 3.29Å; F316-R320 WeakPolarHBondContact O-CB 3.39Å; F316-R320 PolarHBondContact O-N 2.94Å; F316-F353 HydrophobicContact CD2-CB 3.69Å; F316-F353 HydrophobicContact CE2-CB 3.85Å; F316-Q354 HydrophobicContact CD2-CG 4Å; F316-Q354 HydrophobicContact CE2-CG 3.78Å; F316-Q354 HydrophobicContact CZ-CG 4.17Å; F316-S357 WeakPolarHBondContact CA-OG 3.32Å; F316-S357 PolarHBondContact N-OG 3.47Å; F316-S357 VanDerWaalsContact N-OG 3.17Å
317	L	97	Very high	94.5	Very high	59 Å²	59	56.3 Å²	56.3	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-46.8	178.9	-68.2	173.5	0	0	0	111.4	N313 A314 V315 R320 E321	N313-L317 WeakPolarHBondContact O-CG 3.4Å; N313-L317 PolarHBondContact O-N 3.38Å; A314-L317 PolarHBondContact O-N 3.24Å; V315-L317 PolarHBondContact O-N 3.3Å; L317-R320 VanDerWaalsContact CD2-NH2 3.33Å; L317-R320 PolarHBondContact O-N 3.36Å; L317-E321 WeakPolarHBondContact O-CG 3.38Å; L317-E321 PolarHBondContact O-N 2.86Å
318	S	96.5	Very high	94.5	Very high	20 Å²	20	56.1 Å²	56.1	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-41.6	-180	-67.3	0	0	0	0	112.8	E190 A314 V315 E321 T322	E190-S318 VanDerWaalsContact CD-OG 3.27Å; E190-S318 PolarHBondContact OE1-OG 2.84Å; E190-S318 VanDerWaalsContact OE2-CB 3.23Å; E190-S318 WeakPolarHBondContact OE2-CB 3.21Å; E190-S318 PolarHBondContact OE2-OG 3.44Å; E190-S318 VanDerWaalsContact OE2-OG 3.07Å; A314-S318 PolarHBondContact O-N 3.29Å; A314-S318 PolarHBondContact O-OG 3.45Å; V315-S318 PolarHBondContact O-N 3.25Å; S318-E321 PolarHBondContact O-N 2.87Å; S318-T322 WeakPolarHBondContact O-CB 3.38Å; S318-T322 WeakPolarHBondContact O-CG2 3.33Å; S318-T322 PolarHBondContact O-N 2.99Å; S318-T322 VanDerWaalsContact O-N 3.1Å; S318-T322 PolarHBondContact O-OG1 3.14Å
319	E	94.1	Very high	94.6	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-45.5	173	-73.1	-74.2	176.7	0	0	110.5	Y187 I188 Q223 V315 E321 T322 A323 F353	Y187-E319 PolarHBondContact OH-OE1 3.37Å; I188-E319 HydrophobicContact CD1-CG 3.93Å; I188-E319 WeakPolarHBondContact CD1-OE1 3.38Å; Q223-E319 PolarHBondContact NE2-OE1 2.88Å; V315-E319 HydrophobicContact CG1-CG 3.78Å; V315-E319 VanDerWaalsContact O-CB 3.24Å; V315-E319 WeakPolarHBondContact O-CB 3.45Å; V315-E319 WeakPolarHBondContact O-CG 3.48Å; V315-E319 PolarHBondContact O-N 3.05Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.1Å; E319-T322 PolarHBondContact O-N 3.15Å; E319-A323 WeakPolarHBondContact O-CB 3.34Å; E319-A323 PolarHBondContact O-N 3.02Å; E319-A323 VanDerWaalsContact O-N 3.13Å; E319-F353 HydrophobicContact CB-CD1 4.27Å
320	R	93.5	Very high	94.6	Very high	85 Å²	85	49.4 Å²	49.4	32%	0.321	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-41.5	179.8	-174.1	-179.8	67.7	178.2	-0.2	112.3	F316 L317 D350 F353	F316-R320 VanDerWaalsContact O-CB 3.29Å; F316-R320 WeakPolarHBondContact O-CB 3.39Å; F316-R320 PolarHBondContact O-N 2.94Å; L317-R320 VanDerWaalsContact CD2-NH2 3.33Å; L317-R320 PolarHBondContact O-N 3.36Å; R320-D350 WeakPolarHBondContact CD-OD1 3.48Å; R320-D350 IonicContact NH1-OD1 2.58Å; R320-D350 IonicContact NH1-OD2 3.89Å; R320-F353 HydrophobicContact CB-CD2 3.98Å; R320-F353 HydrophobicContact CB-CE2 4.38Å; R320-F353 HydrophobicContact CG-CD2 4.04Å; R320-F353 HydrophobicContact CG-CE2 4.23Å
321	E	92.6	Very high	94.6	Very high	147 Å²	147	53.5 Å²	53.5	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-70.3	-32	180	-75.1	-178.2	-178.4	0	0	113.2	L317 S318 E319	L317-E321 WeakPolarHBondContact O-CG 3.38Å; L317-E321 PolarHBondContact O-N 2.86Å; S318-E321 PolarHBondContact O-N 2.87Å; E319-E321 VanDerWaalsContact C-N 3.35Å; E319-E321 PolarHBondContact O-N 3.1Å
322	T	90.7	Very high	94.5	Very high	69 Å²	69	54.9 Å²	54.9	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-96.4	1.6	-176.8	57.6	0	0	0	0	114.1	I188 S318 E319 D324	I188-T322 HydrophobicContact CG2-CG2 4.1Å; I188-T322 WeakPolarHBondContact CG2-OG1 3.42Å; S318-T322 WeakPolarHBondContact O-CB 3.38Å; S318-T322 WeakPolarHBondContact O-CG2 3.33Å; S318-T322 PolarHBondContact O-N 2.99Å; S318-T322 VanDerWaalsContact O-N 3.1Å; S318-T322 PolarHBondContact O-OG1 3.14Å; E319-T322 PolarHBondContact O-N 3.15Å; T322-D324 VanDerWaalsContact C-N 3.34Å; T322-D324 PolarHBondContact O-N 2.85Å
323	A	89.1	Confident	94.4	Very high	5 Å²	5	53.3 Å²	53.3	4%	0.041	27%	0.265	C	S	.	.			trans	-89.6	33.5	-169.9	0	0	0	0	0	116.2	E319 R325 N326 F327 F353	E319-A323 WeakPolarHBondContact O-CB 3.34Å; E319-A323 PolarHBondContact O-N 3.02Å; E319-A323 VanDerWaalsContact O-N 3.13Å; A323-R325 PolarHBondContact O-N 2.9Å; A323-N326 HydrophobicContact CB-CB 4.26Å; A323-N326 PolarHBondContact O-N 3.36Å; A323-F327 WeakPolarHBondContact O-CD2 3.25Å; A323-F327 PolarHBondContact O-N 3.44Å; A323-F327 VanDerWaalsContact O-N 3.08Å; A323-F353 HydrophobicContact CB-CE1 3.49Å; A323-F353 VanDerWaalsContact CB-CE1 3.49Å; A323-F353 HydrophobicContact CB-CE2 4.09Å; A323-F353 HydrophobicContact CB-CZ 3.15Å
324	D	91.7	Very high	94.2	Very high	126 Å²	126	55 Å²	55	67%	0.674	26%	0.264	S	S	*	.	H	α-helix	trans	-47.2	-41.6	178	-69.7	-36.4	0	0	0	112.9	T322 N326 F327 A328	T322-D324 VanDerWaalsContact C-N 3.34Å; T322-D324 PolarHBondContact O-N 2.85Å; D324-N326 PolarHBondContact O-N 3.07Å; D324-F327 PolarHBondContact O-N 3.41Å; D324-A328 PolarHBondContact O-N 2.86Å
325	R	90.9	Very high	94	Very high	110 Å²	110	60 Å²	60	42%	0.415	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-43.3	178.4	-167.2	-159.9	-154.5	129.1	17.4	112.6	N257 A323 F327 A328 I329	N257-R325 PolarHBondContact ND2-NH2 3.16Å; N257-R325 PolarHBondContact O-NE 3.07Å; N257-R325 PolarHBondContact O-NH2 3.04Å; A323-R325 PolarHBondContact O-N 2.9Å; R325-F327 VanDerWaalsContact C-N 3.29Å; R325-A328 PolarHBondContact O-N 3.04Å; R325-I329 HydrophobicContact CG-CD1 4.15Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.31Å; R325-I329 PolarHBondContact O-N 2.83Å
326	N	92.4	Very high	93.9	Very high	16 Å²	16	61.8 Å²	61.8	9%	0.086	29%	0.29	C	S	.	.	H	α-helix	trans	-68.5	-35.6	-179.6	-65	-35.2	0	0	0	110	N273 A323 D324 I329 A330 M349 F353	N273-N326 PolarHBondContact ND2-OD1 3.43Å; A323-N326 HydrophobicContact CB-CB 4.26Å; A323-N326 PolarHBondContact O-N 3.36Å; D324-N326 PolarHBondContact O-N 3.07Å; N326-I329 PolarHBondContact O-N 3.08Å; N326-A330 WeakPolarHBondContact O-CB 3.37Å; N326-A330 PolarHBondContact O-N 3.08Å; N326-M349 HydrophobicContact CB-CE 3.68Å; N326-F353 HydrophobicContact CB-CZ 4.29Å
327	F	94.3	Very high	93.8	Very high	52 Å²	52	69.9 Å²	69.9	23%	0.228	33%	0.325	C	S	.	.	H	α-helix	trans	-61	-46.8	170.1	-77.5	-73.4	0	0	0	111.8	A323 D324 R325 I329 A330 Y331 M349 F353	A323-F327 WeakPolarHBondContact O-CD2 3.25Å; A323-F327 PolarHBondContact O-N 3.44Å; A323-F327 VanDerWaalsContact O-N 3.08Å; D324-F327 PolarHBondContact O-N 3.41Å; R325-F327 VanDerWaalsContact C-N 3.29Å; F327-I329 VanDerWaalsContact C-N 3.34Å; F327-I329 PolarHBondContact O-N 3.32Å; F327-A330 PolarHBondContact O-N 3.36Å; F327-A330 VanDerWaalsContact O-N 3.12Å; F327-Y331 HydrophobicContact CB-CE2 4.47Å; F327-Y331 WeakPolarHBondContact O-CD2 3.45Å; F327-Y331 PolarHBondContact O-N 3.46Å; F327-M349 HydrophobicContact CD1-CE 3.92Å; F327-M349 HydrophobicContact CD1-CG 4.03Å; F327-M349 HydrophobicContact CD2-CE 4.15Å; F327-M349 HydrophobicContact CE1-CB 3.94Å; F327-M349 HydrophobicContact CE1-CE 4.04Å; F327-M349 HydrophobicContact CE1-CG 3.71Å; F327-M349 HydrophobicContact CE2-CE 4.25Å; F327-M349 HydrophobicContact CG-CE 3.97Å; F327-M349 HydrophobicContact CZ-CB 4.19Å; F327-M349 HydrophobicContact CZ-CE 4.19Å; F327-M349 HydrophobicContact CZ-CG 4.38Å; F327-F353 HydrophobicContact CE2-CE2 4.32Å; F327-F353 HydrophobicContact CZ-CE2 4.37Å
328	A	95	Very high	93.7	Very high	44 Å²	44	67.3 Å²	67.3	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-44.9	176.7	0	0	0	0	0	112.2	I259 D324 R325 A330 Y331 Y332	I259-A328 HydrophobicContact CD1-CB 4.03Å; D324-A328 PolarHBondContact O-N 2.86Å; R325-A328 PolarHBondContact O-N 3.04Å; A328-A330 VanDerWaalsContact C-N 3.33Å; A328-A330 PolarHBondContact O-N 3.08Å; A328-Y331 PolarHBondContact O-N 3.12Å; A328-Y332 WeakPolarHBondContact O-CB 3.31Å; A328-Y332 PolarHBondContact O-N 2.81Å
329	I	93.5	Very high	93.7	Very high	10 Å²	10	67 Å²	67	5%	0.051	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-46.4	173.9	-70.7	165.7	0	0	0	110.6	I259 N273 L277 R325 N326 F327 Y332 M333	I259-I329 HydrophobicContact CB-CG1 4.42Å; I259-I329 HydrophobicContact CD1-CG1 4.13Å; I259-I329 HydrophobicContact CG1-CD1 4.48Å; I259-I329 HydrophobicContact CG1-CG1 3.77Å; I259-I329 HydrophobicContact CG2-CG1 4.18Å; N273-I329 HydrophobicContact CB-CD1 4.48Å; L277-I329 HydrophobicContact CD1-CG2 4.14Å; R325-I329 HydrophobicContact CG-CD1 4.15Å; R325-I329 VanDerWaalsContact O-CG1 3.29Å; R325-I329 WeakPolarHBondContact O-CG1 3.31Å; R325-I329 PolarHBondContact O-N 2.83Å; N326-I329 PolarHBondContact O-N 3.08Å; F327-I329 VanDerWaalsContact C-N 3.34Å; F327-I329 PolarHBondContact O-N 3.32Å; I329-Y332 PolarHBondContact O-N 3.24Å; I329-M333 HydrophobicContact CG2-CG 4.27Å; I329-M333 HydrophobicContact CG2-SD 3.74Å; I329-M333 WeakPolarHBondContact O-CB 3.41Å; I329-M333 VanDerWaalsContact O-CG 3.25Å; I329-M333 WeakPolarHBondContact O-CG 3.42Å; I329-M333 PolarHBondContact O-N 3.44Å
330	A	94.8	Very high	93.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-40.4	-177.3	0	0	0	0	0	112	L277 N326 F327 A328 M333 R334 F339 L345 M349	L277-A330 HydrophobicContact CD1-CB 4.14Å; N326-A330 WeakPolarHBondContact O-CB 3.37Å; N326-A330 PolarHBondContact O-N 3.08Å; F327-A330 PolarHBondContact O-N 3.36Å; F327-A330 VanDerWaalsContact O-N 3.12Å; A328-A330 VanDerWaalsContact C-N 3.33Å; A328-A330 PolarHBondContact O-N 3.08Å; A330-M333 PolarHBondContact O-N 3.36Å; A330-R334 WeakPolarHBondContact O-CB 3.28Å; A330-R334 PolarHBondContact O-N 3.21Å; A330-F339 WeakPolarHBondContact O-CE2 3.44Å; A330-L345 HydrophobicContact CB-CD1 3.72Å; A330-M349 HydrophobicContact CB-SD 3.65Å
331	Y	95.1	Very high	93.3	Very high	114 Å²	114	69 Å²	69	45%	0.447	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-44.8	172.9	-79.2	-64.8	0	0	0	112	F327 A328 M333 R334 E335 L345	F327-Y331 HydrophobicContact CB-CE2 4.47Å; F327-Y331 WeakPolarHBondContact O-CD2 3.45Å; F327-Y331 PolarHBondContact O-N 3.46Å; A328-Y331 PolarHBondContact O-N 3.12Å; Y331-M333 PolarHBondContact O-N 3.14Å; Y331-R334 VanDerWaalsContact CD1-NH2 3.26Å; Y331-R334 VanDerWaalsContact CE1-NH2 3.3Å; Y331-R334 WeakPolarHBondContact O-CB 3.41Å; Y331-R334 PolarHBondContact O-N 3.42Å; Y331-E335 PolarHBondContact O-N 2.99Å; Y331-L345 HydrophobicContact CD1-CD2 3.74Å; Y331-L345 HydrophobicContact CD2-CD2 4.33Å; Y331-L345 HydrophobicContact CE1-CD2 3.37Å; Y331-L345 HydrophobicContact CE2-CD2 4Å; Y331-L345 HydrophobicContact CG-CD2 4.2Å
332	Y	95.1	Very high	92.9	Very high	95 Å²	95	68 Å²	68	37%	0.373	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-41.8	176.8	-176.3	-113.3	0	0	0	112.3	I259 L261 A328 I329 R334 E335 N336	I259-Y332 HydrophobicContact CG2-CD1 3.71Å; I259-Y332 HydrophobicContact CG2-CE1 4.32Å; I259-Y332 HydrophobicContact CG2-CG 4.09Å; L261-Y332 HydrophobicContact CD1-CD1 4.2Å; L261-Y332 HydrophobicContact CD1-CE1 3.79Å; L261-Y332 HydrophobicContact CG-CD1 4.31Å; L261-Y332 HydrophobicContact CG-CE1 3.86Å; A328-Y332 WeakPolarHBondContact O-CB 3.31Å; A328-Y332 PolarHBondContact O-N 2.81Å; I329-Y332 PolarHBondContact O-N 3.24Å; Y332-R334 VanDerWaalsContact C-N 3.34Å; Y332-R334 PolarHBondContact O-N 2.88Å; Y332-E335 PolarHBondContact O-N 3.18Å; Y332-N336 WeakPolarHBondContact CE2-ND2 3.39Å; Y332-N336 PolarHBondContact O-N 3.49Å; Y332-N336 VanDerWaalsContact O-N 3.16Å; Y332-N336 PolarHBondContact O-ND2 2.85Å
333	M	95.6	Very high	92.6	Very high	1 Å²	1	68 Å²	68	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-39.1	174	-77.7	177.3	67	0	0	112.5	L261 P267 S274 L277 A278 I329 A330 Y331 N336 K337 C338 F339	L261-M333 HydrophobicContact CD2-CG 4.19Å; P267-M333 HydrophobicContact CG-CE 3.63Å; P267-M333 HydrophobicContact CG-SD 4.29Å; S274-M333 VanDerWaalsContact CA-SD 3.59Å; S274-M333 VanDerWaalsContact CB-SD 3.53Å; S274-M333 WeakPolarHBondContact O-CE 3.48Å; L277-M333 HydrophobicContact CB-CE 4.42Å; L277-M333 HydrophobicContact CB-SD 4.39Å; L277-M333 HydrophobicContact CD1-SD 4.49Å; A278-M333 HydrophobicContact CB-CE 3.91Å; I329-M333 HydrophobicContact CG2-CG 4.27Å; I329-M333 HydrophobicContact CG2-SD 3.74Å; I329-M333 WeakPolarHBondContact O-CB 3.41Å; I329-M333 VanDerWaalsContact O-CG 3.25Å; I329-M333 WeakPolarHBondContact O-CG 3.42Å; I329-M333 PolarHBondContact O-N 3.44Å; A330-M333 PolarHBondContact O-N 3.36Å; Y331-M333 PolarHBondContact O-N 3.14Å; M333-N336 CarbonylContact O-C 3.51Å; M333-N336 PolarHBondContact O-N 2.87Å; M333-K337 PolarHBondContact O-N 3.3Å; M333-K337 VanDerWaalsContact O-N 3.16Å; M333-C338 HydrophobicContact CB-CB 3.98Å; M333-C338 HydrophobicContact CE-CB 3.92Å; M333-C338 HydrophobicContact CG-CB 4.33Å; M333-C338 WeakPolarHBondContact O-CB 3.37Å; M333-C338 PolarHBondContact O-N 3.26Å; M333-C338 PolarHBondContact O-SG 3.34Å; M333-C338 VanDerWaalsContact O-SG 3.39Å; M333-F339 HydrophobicContact CB-CD2 4.37Å; M333-F339 HydrophobicContact CB-CE2 3.58Å; M333-F339 HydrophobicContact CB-CZ 3.73Å; M333-F339 HydrophobicContact CE-CD1 4.33Å; M333-F339 HydrophobicContact CE-CE1 3.49Å; M333-F339 VanDerWaalsContact CE-CE1 3.49Å; M333-F339 HydrophobicContact CE-CE2 4.41Å; M333-F339 HydrophobicContact CE-CZ 3.54Å; M333-F339 HydrophobicContact SD-CE1 4.49Å; M333-F339 HydrophobicContact SD-CZ 4.01Å
334	R	94.2	Very high	92.7	Very high	122 Å²	122	71.6 Å²	71.6	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.3	-177.3	178	70.8	171.7	8.6	111.6	A330 Y331 Y332 N336 K337 F339 F343	A330-R334 WeakPolarHBondContact O-CB 3.28Å; A330-R334 PolarHBondContact O-N 3.21Å; Y331-R334 VanDerWaalsContact CD1-NH2 3.26Å; Y331-R334 VanDerWaalsContact CE1-NH2 3.3Å; Y331-R334 WeakPolarHBondContact O-CB 3.41Å; Y331-R334 PolarHBondContact O-N 3.42Å; Y332-R334 VanDerWaalsContact C-N 3.34Å; Y332-R334 PolarHBondContact O-N 2.88Å; R334-N336 PolarHBondContact O-N 3.45Å; R334-K337 PolarHBondContact O-N 3.23Å; R334-K337 VanDerWaalsContact O-N 3.1Å; R334-F339 HydrophobicContact CB-CD2 4.12Å; R334-F339 HydrophobicContact CB-CE2 4.22Å; R334-F343 HydrophobicContact CB-CZ 4.27Å; R334-F343 HydrophobicContact CG-CE1 4.41Å; R334-F343 HydrophobicContact CG-CZ 3.87Å
335	E	94	Very high	92.7	Very high	150 Å²	150	65.9 Å²	65.9	70%	0.701	32%	0.317	S	S	*	.	H	α-helix	trans	-57.1	-40.9	174.5	-177	178.4	-169.3	0	0	111.6	Y331 Y332 K337	Y331-E335 PolarHBondContact O-N 2.99Å; Y332-E335 PolarHBondContact O-N 3.18Å; E335-K337 VanDerWaalsContact C-N 3.25Å; E335-K337 PolarHBondContact O-N 3.34Å
336	N	95	Very high	92.8	Very high	41 Å²	41	69.2 Å²	69.2	22%	0.219	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	8.9	179.1	-74.3	-80.9	0	0	0	114.5	L261 N265 Y332 M333 R334 C338	L261-N336 HydrophobicContact CD1-CB 3.56Å; N265-N336 HydrophobicContact CB-CB 4.43Å; Y332-N336 WeakPolarHBondContact CE2-ND2 3.39Å; Y332-N336 PolarHBondContact O-N 3.49Å; Y332-N336 VanDerWaalsContact O-N 3.16Å; Y332-N336 PolarHBondContact O-ND2 2.85Å; M333-N336 CarbonylContact O-C 3.51Å; M333-N336 PolarHBondContact O-N 2.87Å; R334-N336 PolarHBondContact O-N 3.45Å; N336-C338 VanDerWaalsContact C-N 3.27Å; N336-C338 PolarHBondContact O-N 3.2Å
337	K	94.3	Very high	92.9	Very high	185 Å²	185	73 Å²	73	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	36.6	178.7	-53.4	177.1	-177.8	176.2	0	113.4	M333 R334 E335 F339	M333-K337 PolarHBondContact O-N 3.3Å; M333-K337 VanDerWaalsContact O-N 3.16Å; R334-K337 PolarHBondContact O-N 3.23Å; R334-K337 VanDerWaalsContact O-N 3.1Å; E335-K337 VanDerWaalsContact C-N 3.25Å; E335-K337 PolarHBondContact O-N 3.34Å; K337-F339 PolarHBondContact O-N 3.5Å
338	C	95.3	Very high	93	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.034	34%	0.336	C	S	.	.			trans	-77.8	-2	178.1	-53.2	0	0	0	0	114	N265 M333 N336	N265-C338 PolarHBondContact O-SG 3.38Å; M333-C338 HydrophobicContact CB-CB 3.98Å; M333-C338 HydrophobicContact CE-CB 3.92Å; M333-C338 HydrophobicContact CG-CB 4.33Å; M333-C338 WeakPolarHBondContact O-CB 3.37Å; M333-C338 PolarHBondContact O-N 3.26Å; M333-C338 PolarHBondContact O-SG 3.34Å; M333-C338 VanDerWaalsContact O-SG 3.39Å; N336-C338 VanDerWaalsContact C-N 3.27Å; N336-C338 PolarHBondContact O-N 3.2Å
339	F	95.5	Very high	93	Very high	14 Å²	14	68.5 Å²	68.5	6%	0.061	32%	0.319	C	S	.	.	S	Bend	trans	-115.5	156.9	-177.2	-62.5	-56.1	0	0	0	111	L277 A330 M333 R334 K337 F343 L345 L348	L277-F339 HydrophobicContact CB-CE1 4.38Å; A330-F339 WeakPolarHBondContact O-CE2 3.44Å; M333-F339 HydrophobicContact CB-CD2 4.37Å; M333-F339 HydrophobicContact CB-CE2 3.58Å; M333-F339 HydrophobicContact CB-CZ 3.73Å; M333-F339 HydrophobicContact CE-CD1 4.33Å; M333-F339 HydrophobicContact CE-CE1 3.49Å; M333-F339 VanDerWaalsContact CE-CE1 3.49Å; M333-F339 HydrophobicContact CE-CE2 4.41Å; M333-F339 HydrophobicContact CE-CZ 3.54Å; M333-F339 HydrophobicContact SD-CE1 4.49Å; M333-F339 HydrophobicContact SD-CZ 4.01Å; R334-F339 HydrophobicContact CB-CD2 4.12Å; R334-F339 HydrophobicContact CB-CE2 4.22Å; K337-F339 PolarHBondContact O-N 3.5Å; F339-F343 HydrophobicContact CB-CD1 3.77Å; F339-F343 HydrophobicContact CB-CE1 3.44Å; F339-F343 VanDerWaalsContact CB-CE1 3.44Å; F339-F343 HydrophobicContact CB-CE2 4.26Å; F339-F343 HydrophobicContact CB-CG 4.31Å; F339-F343 HydrophobicContact CB-CZ 3.72Å; F339-F343 AromaticContact CD2-CE1 3.92Å; F339-F343 HydrophobicContact CD2-CE1 3.92Å; F339-F343 AromaticContact CD2-CE2 3.7Å; F339-F343 HydrophobicContact CD2-CE2 3.7Å; F339-F343 AromaticContact CD2-CZ 3.27Å; F339-F343 HydrophobicContact CD2-CZ 3.27Å; F339-F343 HydrophobicContact CE2-CE2 4.17Å; F339-F343 HydrophobicContact CE2-CZ 4.07Å; F339-F343 HydrophobicContact CG-CE1 4.01Å; F339-F343 HydrophobicContact CG-CE2 4.02Å; F339-F343 AromaticContact CG-CZ 3.73Å; F339-F343 HydrophobicContact CG-CZ 3.73Å; F339-L345 HydrophobicContact CE2-CD1 4.44Å; F339-L348 HydrophobicContact CD1-CD2 4.03Å; F339-L348 HydrophobicContact CE1-CD2 3.58Å; F339-L348 HydrophobicContact CE2-CD2 4.47Å; F339-L348 HydrophobicContact CZ-CD2 3.82Å
340	P	93.3	Very high	93.2	Very high	11 Å²	11	70.3 Å²	70.3	7%	0.071	33%	0.329	C	S	.	.			trans	-59	157.3	171.7	25.2	-34	0	0	0	111.4	Y246 S281 I282 T342 F343	Y246-P340 HydrophobicContact CE1-CB 4.25Å; S281-P340 WeakPolarHBondContact OG-CD 3.37Å; I282-P340 HydrophobicContact CG2-CG 4.31Å; P340-T342 PolarHBondContact O-N 3.16Å; P340-F343 VanDerWaalsContact O-CD1 3.23Å; P340-F343 WeakPolarHBondContact O-CD1 3.21Å
341	P	87.5	Confident	93.3	Very high	131 Å²	131	70.6 Å²	70.6	85%	0.851	33%	0.33	S	S	*	.	S	Bend	trans	-61.1	-30.6	-172.2	-22.8	32.6	0	0	0	114.6
342	T	83.2	Confident	93.4	Very high	126 Å²	126	65.7 Å²	65.7	77%	0.773	31%	0.311	S	S	*	.	S	Bend	trans	-112.9	103.2	-178.3	47.8	0	0	0	0	109.5	P340	P340-T342 PolarHBondContact O-N 3.16Å
343	F	85.2	Confident	93.5	Very high	70 Å²	70	61.2 Å²	61.2	31%	0.307	29%	0.293	S	S	.	.			trans	-157.1	156	170.6	78.2	-74.1	0	0	0	110.6	R334 F339 P340 L345 L348	R334-F343 HydrophobicContact CB-CZ 4.27Å; R334-F343 HydrophobicContact CG-CE1 4.41Å; R334-F343 HydrophobicContact CG-CZ 3.87Å; F339-F343 HydrophobicContact CB-CD1 3.77Å; F339-F343 HydrophobicContact CB-CE1 3.44Å; F339-F343 VanDerWaalsContact CB-CE1 3.44Å; F339-F343 HydrophobicContact CB-CE2 4.26Å; F339-F343 HydrophobicContact CB-CG 4.31Å; F339-F343 HydrophobicContact CB-CZ 3.72Å; F339-F343 AromaticContact CD2-CE1 3.92Å; F339-F343 HydrophobicContact CD2-CE1 3.92Å; F339-F343 AromaticContact CD2-CE2 3.7Å; F339-F343 HydrophobicContact CD2-CE2 3.7Å; F339-F343 AromaticContact CD2-CZ 3.27Å; F339-F343 HydrophobicContact CD2-CZ 3.27Å; F339-F343 HydrophobicContact CE2-CE2 4.17Å; F339-F343 HydrophobicContact CE2-CZ 4.07Å; F339-F343 HydrophobicContact CG-CE1 4.01Å; F339-F343 HydrophobicContact CG-CE2 4.02Å; F339-F343 AromaticContact CG-CZ 3.73Å; F339-F343 HydrophobicContact CG-CZ 3.73Å; P340-F343 VanDerWaalsContact O-CD1 3.23Å; P340-F343 WeakPolarHBondContact O-CD1 3.21Å; F343-L345 HydrophobicContact CE2-CB 4.22Å; F343-L345 HydrophobicContact CE2-CD1 3.77Å; F343-L345 HydrophobicContact CZ-CD1 4.44Å; F343-L348 HydrophobicContact CD2-CD2 4.11Å; F343-L348 HydrophobicContact CE2-CD2 4.22Å
344	E	90.7	Very high	93.6	Very high	80 Å²	80	63.4 Å²	63.4	37%	0.374	30%	0.303	S	S	.	.			trans	-106.3	131.4	169	-156.8	-69.6	116.8	0	0	108.8	R346 E347 L348	E344-R346 VanDerWaalsContact CD-N 3.26Å; E344-R346 PolarHBondContact OE1-N 3.34Å; E344-R346 VanDerWaalsContact OE2-CA 3.29Å; E344-R346 WeakPolarHBondContact OE2-CA 3.37Å; E344-R346 WeakPolarHBondContact OE2-CB 3.35Å; E344-R346 PolarHBondContact OE2-N 3.03Å; E344-E347 HydrophobicContact CB-CB 4.24Å; E344-E347 HydrophobicContact CB-CG 4.26Å; E344-E347 WeakPolarHBondContact OE2-CG 3.42Å; E344-E347 PolarHBondContact OE2-N 3.32Å; E344-L348 WeakPolarHBondContact O-CB 3.38Å; E344-L348 PolarHBondContact O-N 2.89Å; E344-L348 VanDerWaalsContact O-N 3.11Å
345	L	92.5	Very high	93.8	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-41.6	-170.8	-172.3	75.3	0	0	0	111.1	A330 Y331 F339 F343 L348 M349	A330-L345 HydrophobicContact CB-CD1 3.72Å; Y331-L345 HydrophobicContact CD1-CD2 3.74Å; Y331-L345 HydrophobicContact CD2-CD2 4.33Å; Y331-L345 HydrophobicContact CE1-CD2 3.37Å; Y331-L345 HydrophobicContact CE2-CD2 4Å; Y331-L345 HydrophobicContact CG-CD2 4.2Å; F339-L345 HydrophobicContact CE2-CD1 4.44Å; F343-L345 HydrophobicContact CE2-CB 4.22Å; F343-L345 HydrophobicContact CE2-CD1 3.77Å; F343-L345 HydrophobicContact CZ-CD1 4.44Å; L345-L348 PolarHBondContact O-N 2.7Å; L345-M349 WeakPolarHBondContact O-CG 3.36Å; L345-M349 PolarHBondContact O-N 2.86Å
346	R	92.8	Very high	94	Very high	180 Å²	180	50.9 Å²	50.9	68%	0.679	25%	0.251	S	S	*	.	H	α-helix	trans	-67	-43.4	-179.1	-61.6	178.2	171.8	-174.2	-2.7	111.2	E344 L348 M349 D350	E344-R346 VanDerWaalsContact CD-N 3.26Å; E344-R346 PolarHBondContact OE1-N 3.34Å; E344-R346 VanDerWaalsContact OE2-CA 3.29Å; E344-R346 WeakPolarHBondContact OE2-CA 3.37Å; E344-R346 WeakPolarHBondContact OE2-CB 3.35Å; E344-R346 PolarHBondContact OE2-N 3.03Å; R346-L348 VanDerWaalsContact C-N 3.33Å; R346-L348 PolarHBondContact O-N 2.58Å; R346-M349 PolarHBondContact O-N 3.17Å; R346-M349 VanDerWaalsContact O-N 3.16Å; R346-D350 WeakPolarHBondContact O-CB 3.36Å; R346-D350 PolarHBondContact O-N 3.13Å
347	E	94.5	Very high	94.2	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-41.7	174.6	-72.9	-179.3	-167.6	0	0	111.7	P289 E344 M349 F351	P289-E347 HydrophobicContact CG-CG 4.28Å; E344-E347 HydrophobicContact CB-CB 4.24Å; E344-E347 HydrophobicContact CB-CG 4.26Å; E344-E347 WeakPolarHBondContact OE2-CG 3.42Å; E344-E347 PolarHBondContact OE2-N 3.32Å; E347-M349 VanDerWaalsContact C-N 3.34Å; E347-F351 VanDerWaalsContact O-CB 3.26Å; E347-F351 WeakPolarHBondContact O-CB 3.36Å; E347-F351 PolarHBondContact O-N 3.16Å
348	L	95.8	Very high	94.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174	171.9	59.9	0	0	0	111.7	C280 S281 F339 F343 E344 L345 R346 F351 Y352	C280-L348 VanDerWaalsContact C-CD1 3.46Å; C280-L348 HydrophobicContact CB-CD1 3.53Å; S281-L348 VanDerWaalsContact N-CD1 3.34Å; F339-L348 HydrophobicContact CD1-CD2 4.03Å; F339-L348 HydrophobicContact CE1-CD2 3.58Å; F339-L348 HydrophobicContact CE2-CD2 4.47Å; F339-L348 HydrophobicContact CZ-CD2 3.82Å; F343-L348 HydrophobicContact CD2-CD2 4.11Å; F343-L348 HydrophobicContact CE2-CD2 4.22Å; E344-L348 WeakPolarHBondContact O-CB 3.38Å; E344-L348 PolarHBondContact O-N 2.89Å; E344-L348 VanDerWaalsContact O-N 3.11Å; L345-L348 PolarHBondContact O-N 2.7Å; R346-L348 VanDerWaalsContact C-N 3.33Å; R346-L348 PolarHBondContact O-N 2.58Å; L348-F351 PolarHBondContact O-N 2.84Å; L348-Y352 PolarHBondContact O-N 3.07Å
349	M	95.6	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-47.3	-179.8	-67.8	-64.8	-61.3	0	0	110.9	L277 N326 F327 A330 L345 R346 E347 F351 Y352 F353	L277-M349 HydrophobicContact CD1-SD 4.29Å; L277-M349 HydrophobicContact CD2-SD 3.66Å; N326-M349 HydrophobicContact CB-CE 3.68Å; F327-M349 HydrophobicContact CD1-CE 3.92Å; F327-M349 HydrophobicContact CD1-CG 4.03Å; F327-M349 HydrophobicContact CD2-CE 4.15Å; F327-M349 HydrophobicContact CE1-CB 3.94Å; F327-M349 HydrophobicContact CE1-CE 4.04Å; F327-M349 HydrophobicContact CE1-CG 3.71Å; F327-M349 HydrophobicContact CE2-CE 4.25Å; F327-M349 HydrophobicContact CG-CE 3.97Å; F327-M349 HydrophobicContact CZ-CB 4.19Å; F327-M349 HydrophobicContact CZ-CE 4.19Å; F327-M349 HydrophobicContact CZ-CG 4.38Å; A330-M349 HydrophobicContact CB-SD 3.65Å; L345-M349 WeakPolarHBondContact O-CG 3.36Å; L345-M349 PolarHBondContact O-N 2.86Å; R346-M349 PolarHBondContact O-N 3.17Å; R346-M349 VanDerWaalsContact O-N 3.16Å; E347-M349 VanDerWaalsContact C-N 3.34Å; M349-F351 VanDerWaalsContact C-N 3.31Å; M349-F351 PolarHBondContact O-N 2.9Å; M349-Y352 PolarHBondContact O-N 3.31Å; M349-F353 HydrophobicContact CB-CD2 4.48Å; M349-F353 HydrophobicContact CB-CE2 3.99Å; M349-F353 HydrophobicContact CE-CE2 3.72Å; M349-F353 HydrophobicContact CE-CZ 3.45Å; M349-F353 VanDerWaalsContact CE-CZ 3.45Å; M349-F353 WeakPolarHBondContact O-CD2 3.25Å; M349-F353 WeakPolarHBondContact O-CG 3.36Å; M349-F353 PolarHBondContact O-N 3.41Å
350	D	96.5	Very high	94.6	Very high	48 Å²	48	41.2 Å²	41.2	26%	0.257	21%	0.207	S	C	.	.	H	α-helix	trans	-57.6	-45.1	175.2	-81	-10.7	0	0	0	110.8	R320 R346 Y352 F353 Q354	R320-D350 WeakPolarHBondContact CD-OD1 3.48Å; R320-D350 IonicContact NH1-OD1 2.58Å; R320-D350 IonicContact NH1-OD2 3.89Å; R346-D350 WeakPolarHBondContact O-CB 3.36Å; R346-D350 PolarHBondContact O-N 3.13Å; D350-Y352 PolarHBondContact O-N 3.43Å; D350-F353 PolarHBondContact O-N 2.97Å; D350-Q354 WeakPolarHBondContact O-CB 3.46Å; D350-Q354 WeakPolarHBondContact O-CG 3.31Å; D350-Q354 PolarHBondContact O-N 2.9Å
351	F	97.5	Very high	94.9	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-42.9	177.2	-176.9	-131.8	0	0	0	112.4	C280 L283 R292 V296 E347 L348 M349 Q354 I355	C280-F351 HydrophobicContact CB-CD1 4.02Å; C280-F351 HydrophobicContact CB-CE1 4.38Å; L283-F351 HydrophobicContact CD2-CZ 4.46Å; R292-F351 HydrophobicContact CB-CD2 4.31Å; R292-F351 HydrophobicContact CB-CE2 3.81Å; R292-F351 HydrophobicContact CB-CZ 3.96Å; V296-F351 HydrophobicContact CG2-CE2 4.07Å; V296-F351 HydrophobicContact CG2-CZ 3.71Å; E347-F351 VanDerWaalsContact O-CB 3.26Å; E347-F351 WeakPolarHBondContact O-CB 3.36Å; E347-F351 PolarHBondContact O-N 3.16Å; L348-F351 PolarHBondContact O-N 2.84Å; M349-F351 VanDerWaalsContact C-N 3.31Å; M349-F351 PolarHBondContact O-N 2.9Å; F351-Q354 PolarHBondContact O-N 2.83Å; F351-I355 HydrophobicContact CD1-CD1 4.31Å; F351-I355 HydrophobicContact CD2-CD1 4.19Å; F351-I355 HydrophobicContact CD2-CG1 4.4Å; F351-I355 HydrophobicContact CE1-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CD1 3.81Å; F351-I355 HydrophobicContact CE2-CG1 4.16Å; F351-I355 HydrophobicContact CG-CD1 4.43Å; F351-I355 HydrophobicContact CZ-CD1 3.71Å; F351-I355 WeakPolarHBondContact O-CG1 3.48Å; F351-I355 PolarHBondContact O-N 3.48Å; F351-I355 VanDerWaalsContact O-N 3.12Å
352	Y	97.6	Very high	95.4	Very high	11 Å²	11	35.6 Å²	35.6	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-45.4	175.4	171.1	-99.7	0	0	0	112.2	N273 A276 L277 L348 M349 D350 I355 C356	N273-Y352 PolarHBondContact OD1-OH 3.24Å; A276-Y352 HydrophobicContact CB-CD2 4.22Å; A276-Y352 HydrophobicContact CB-CE2 3.62Å; L277-Y352 HydrophobicContact CD2-CD1 4.09Å; L277-Y352 HydrophobicContact CD2-CD2 4.18Å; L277-Y352 HydrophobicContact CD2-CG 3.74Å; L348-Y352 PolarHBondContact O-N 3.07Å; M349-Y352 PolarHBondContact O-N 3.31Å; D350-Y352 PolarHBondContact O-N 3.43Å; Y352-I355 PolarHBondContact O-N 2.84Å; Y352-C356 PolarHBondContact O-N 2.93Å; Y352-C356 PolarHBondContact O-SG 3.08Å
353	F	97.3	Very high	96.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-68	-39.1	178.5	-61.9	-49.7	0	0	0	112.1	F316 E319 R320 A323 N326 F327 M349 D350 I355 C356 S357	F316-F353 HydrophobicContact CD2-CB 3.69Å; F316-F353 HydrophobicContact CE2-CB 3.85Å; E319-F353 HydrophobicContact CB-CD1 4.27Å; R320-F353 HydrophobicContact CB-CD2 3.98Å; R320-F353 HydrophobicContact CB-CE2 4.38Å; R320-F353 HydrophobicContact CG-CD2 4.04Å; R320-F353 HydrophobicContact CG-CE2 4.23Å; A323-F353 HydrophobicContact CB-CE1 3.49Å; A323-F353 VanDerWaalsContact CB-CE1 3.49Å; A323-F353 HydrophobicContact CB-CE2 4.09Å; A323-F353 HydrophobicContact CB-CZ 3.15Å; N326-F353 HydrophobicContact CB-CZ 4.29Å; F327-F353 HydrophobicContact CE2-CE2 4.32Å; F327-F353 HydrophobicContact CZ-CE2 4.37Å; M349-F353 HydrophobicContact CB-CD2 4.48Å; M349-F353 HydrophobicContact CB-CE2 3.99Å; M349-F353 HydrophobicContact CE-CE2 3.72Å; M349-F353 HydrophobicContact CE-CZ 3.45Å; M349-F353 VanDerWaalsContact CE-CZ 3.45Å; M349-F353 WeakPolarHBondContact O-CD2 3.25Å; M349-F353 WeakPolarHBondContact O-CG 3.36Å; M349-F353 PolarHBondContact O-N 3.41Å; D350-F353 PolarHBondContact O-N 2.97Å; F353-I355 VanDerWaalsContact C-N 3.32Å; F353-I355 PolarHBondContact O-N 3.04Å; F353-C356 PolarHBondContact O-N 3.19Å; F353-S357 PolarHBondContact O-N 3.5Å; F353-S357 PolarHBondContact O-OG 3.32Å; F353-S357 VanDerWaalsContact O-OG 3.12Å
354	Q	97.9	Very high	96.8	Very high	46 Å²	46	29 Å²	29	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-56.8	-46.6	175	-77.7	175	-25.8	0	0	111.4	F293 F311 F316 D350 F351 C356 S357 I358	F293-Q354 HydrophobicContact CD2-CB 3.66Å; F293-Q354 HydrophobicContact CD2-CG 4.47Å; F293-Q354 HydrophobicContact CE2-CB 3.74Å; F311-Q354 HydrophobicContact CE2-CB 4.19Å; F311-Q354 HydrophobicContact CE2-CG 4.35Å; F311-Q354 WeakPolarHBondContact CE2-O 3.44Å; F311-Q354 HydrophobicContact CZ-CG 4.22Å; F316-Q354 HydrophobicContact CD2-CG 4Å; F316-Q354 HydrophobicContact CE2-CG 3.78Å; F316-Q354 HydrophobicContact CZ-CG 4.17Å; D350-Q354 WeakPolarHBondContact O-CB 3.46Å; D350-Q354 WeakPolarHBondContact O-CG 3.31Å; D350-Q354 PolarHBondContact O-N 2.9Å; F351-Q354 PolarHBondContact O-N 2.83Å; Q354-C356 VanDerWaalsContact C-N 3.34Å; Q354-C356 PolarHBondContact O-N 3.22Å; Q354-S357 PolarHBondContact O-N 3.47Å; Q354-I358 PolarHBondContact O-N 2.97Å
355	I	98.3	Very high	97.2	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-41.5	178.1	-65.9	170.7	0	0	0	111.5	T230 V296 F300 F351 Y352 F353 S357 I358	T230-I355 HydrophobicContact CG2-CD1 4.08Å; T230-I355 HydrophobicContact CG2-CG2 3.91Å; V296-I355 HydrophobicContact CG1-CD1 4.29Å; V296-I355 HydrophobicContact CG1-CG1 4.1Å; V296-I355 HydrophobicContact CG1-CG2 4.47Å; V296-I355 HydrophobicContact CG2-CD1 4.12Å; F300-I355 HydrophobicContact CZ-CG2 4.36Å; F351-I355 HydrophobicContact CD1-CD1 4.31Å; F351-I355 HydrophobicContact CD2-CD1 4.19Å; F351-I355 HydrophobicContact CD2-CG1 4.4Å; F351-I355 HydrophobicContact CE1-CD1 3.95Å; F351-I355 HydrophobicContact CE2-CD1 3.81Å; F351-I355 HydrophobicContact CE2-CG1 4.16Å; F351-I355 HydrophobicContact CG-CD1 4.43Å; F351-I355 HydrophobicContact CZ-CD1 3.71Å; F351-I355 WeakPolarHBondContact O-CG1 3.48Å; F351-I355 PolarHBondContact O-N 3.48Å; F351-I355 VanDerWaalsContact O-N 3.12Å; Y352-I355 PolarHBondContact O-N 2.84Å; F353-I355 VanDerWaalsContact C-N 3.32Å; F353-I355 PolarHBondContact O-N 3.04Å; I355-S357 PolarHBondContact O-N 3.4Å; I355-I358 WeakPolarHBondContact O-CG1 3.41Å; I355-I358 PolarHBondContact O-N 3.34Å
356	C	97.8	Very high	97.4	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.034	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-28.3	178.7	-65.7	0	0	0	0	112.6	Q223 Y352 F353 Q354	Q223-C356 WeakPolarHBondContact CA-O 3.17Å; Q223-C356 PolarHBondContact N-O 3.47Å; Y352-C356 PolarHBondContact O-N 2.93Å; Y352-C356 PolarHBondContact O-SG 3.08Å; F353-C356 PolarHBondContact O-N 3.19Å; Q354-C356 VanDerWaalsContact C-N 3.34Å; Q354-C356 PolarHBondContact O-N 3.22Å
357	S	98.3	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.7	-178.9	-59.5	0	0	0	0	114.9	N312 F316 F353 Q354 I355 E359	N312-S357 PolarHBondContact N-O 3.48Å; F316-S357 WeakPolarHBondContact CA-OG 3.32Å; F316-S357 PolarHBondContact N-OG 3.47Å; F316-S357 VanDerWaalsContact N-OG 3.17Å; F353-S357 PolarHBondContact O-N 3.5Å; F353-S357 PolarHBondContact O-OG 3.32Å; F353-S357 VanDerWaalsContact O-OG 3.12Å; Q354-S357 PolarHBondContact O-N 3.47Å; I355-S357 PolarHBondContact O-N 3.4Å; S357-E359 PolarHBondContact O-N 3.02Å
358	I	98.5	Very high	97.9	Very high	3 Å²	3	12 Å²	12	2%	0.015	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.6	169.1	-66.1	171.9	0	0	0	108.9	T221 I222 F293 V296 F300 Q354 I355 V360	T221-I358 CarbonylContact C-O 3.48Å; T221-I358 WeakPolarHBondContact CA-O 3.48Å; I222-I358 HydrophobicContact CG2-CB 4.11Å; I222-I358 PolarHBondContact N-O 2.92Å; F293-I358 HydrophobicContact CE2-CD1 4.05Å; F293-I358 HydrophobicContact CE2-CG1 3.9Å; F293-I358 HydrophobicContact CZ-CD1 4.37Å; F293-I358 HydrophobicContact CZ-CG1 3.97Å; V296-I358 HydrophobicContact CG1-CD1 4.3Å; F300-I358 HydrophobicContact CD1-CD1 4.2Å; F300-I358 HydrophobicContact CD1-CG2 4.42Å; F300-I358 HydrophobicContact CE1-CD1 4.2Å; Q354-I358 PolarHBondContact O-N 2.97Å; I355-I358 WeakPolarHBondContact O-CG1 3.41Å; I355-I358 PolarHBondContact O-N 3.34Å; I358-V360 HydrophobicContact CG2-CG1 4.35Å
359	E	98.4	Very high	98.1	Very high	39 Å²	39	11.9 Å²	11.9	18%	0.182	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.9	176.9	-64.6	-177.5	131.6	0	0	111.3	P219 F220 T221 M309 G310 N312 S357	P219-E359 HydrophobicContact CB-CB 4.4Å; F220-E359 CarbonylContact O-C 3.58Å; F220-E359 WeakPolarHBondContact O-CA 3.34Å; T221-E359 HydrophobicContact CG2-CG 4.14Å; M309-E359 WeakPolarHBondContact CA-O 3.44Å; M309-E359 WeakPolarHBondContact CB-O 3.49Å; G310-E359 PolarHBondContact N-O 2.94Å; G310-E359 PolarHBondContact O-N 3.45Å; N312-E359 HydrophobicContact CB-CG 3.74Å; N312-E359 WeakPolarHBondContact CB-OE1 3.36Å; N312-E359 PolarHBondContact ND2-OE1 3.35Å; S357-E359 PolarHBondContact O-N 3.02Å
360	V	98.4	Very high	98.2	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	164.3	176.9	-59.5	0	0	0	0	109.3	P219 F220 I222 M309 I358 A365 M368 I425	P219-V360 WeakPolarHBondContact CA-O 3.36Å; F220-V360 HydrophobicContact CD2-CG2 4.21Å; F220-V360 HydrophobicContact CE2-CG2 3.65Å; F220-V360 HydrophobicContact CZ-CG2 4.07Å; F220-V360 PolarHBondContact N-O 2.89Å; F220-V360 PolarHBondContact O-N 3.36Å; I222-V360 HydrophobicContact CB-CG1 4.07Å; I222-V360 HydrophobicContact CB-CG2 3.95Å; I222-V360 HydrophobicContact CD1-CG1 4.09Å; I222-V360 HydrophobicContact CG1-CG1 4.3Å; I222-V360 HydrophobicContact CG1-CG2 4.08Å; M309-V360 HydrophobicContact SD-CG1 4.43Å; I358-V360 HydrophobicContact CG2-CG1 4.35Å; V360-A365 HydrophobicContact CG2-CB 4.39Å; V360-M368 HydrophobicContact CB-CE 4.29Å; V360-M368 HydrophobicContact CG1-CE 3.65Å; V360-I425 HydrophobicContact CG2-CD1 4.42Å
361	T	98.6	Very high	98.3	Very high	23 Å²	23	9.6 Å²	9.6	14%	0.141	5%	0.047	C	C	.	.			trans	-107.1	169.4	167.5	60.8	0	0	0	0	108.9	S216 T217 E363 S364 A365	S216-T361 WeakPolarHBondContact O-CB 3.13Å; T217-T361 VanDerWaalsContact O-CG2 3.31Å; T217-T361 WeakPolarHBondContact O-CG2 3.35Å; T361-E363 PolarHBondContact O-N 3.46Å; T361-E363 PolarHBondContact OG1-N 3.07Å; T361-S364 PolarHBondContact N-OG 3.42Å; T361-S364 PolarHBondContact O-OG 2.73Å; T361-S364 VanDerWaalsContact O-OG 3.11Å; T361-S364 PolarHBondContact OG1-N 2.69Å; T361-S364 PolarHBondContact OG1-OG 3.08Å; T361-A365 WeakPolarHBondContact O-CB 3.24Å; T361-A365 PolarHBondContact O-N 3.38Å
362	C	98.7	Very high	98.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.4	-36.2	170.6	-64.9	0	0	0	0	110.6	S202 S216 A365 G366 W439	S202-C362 VanDerWaalsContact CB-C 3.46Å; S202-C362 WeakPolarHBondContact CB-O 3.44Å; S216-C362 WeakPolarHBondContact O-CB 3.45Å; S216-C362 PolarHBondContact O-N 3.43Å; C362-A365 PolarHBondContact O-N 3.28Å; C362-G366 PolarHBondContact O-N 3.09Å; C362-W439 WeakPolarHBondContact SG-CB 3.29Å
363	E	98.3	Very high	98.4	Very high	59 Å²	59	9 Å²	9	28%	0.276	5%	0.045	S	C	.	.	H	α-helix	trans	-64.2	-50.7	-178	-50	-160.6	140.1	0	0	112.7	S202 S212 T217 L307 T361 G366 I367	S202-E363 WeakPolarHBondContact OG-CA 3.49Å; S212-E363 VanDerWaalsContact CB-OE1 3.26Å; S212-E363 WeakPolarHBondContact CB-OE1 3.38Å; S212-E363 WeakPolarHBondContact OG-CG 3.32Å; S212-E363 PolarHBondContact OG-OE1 3.15Å; T217-E363 HydrophobicContact CG2-CG 4.49Å; L307-E363 HydrophobicContact CD1-CB 4.14Å; T361-E363 PolarHBondContact O-N 3.46Å; T361-E363 PolarHBondContact OG1-N 3.07Å; E363-G366 PolarHBondContact O-N 2.89Å; E363-I367 WeakPolarHBondContact O-CD1 3.45Å; E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.3Å; E363-I367 VanDerWaalsContact O-N 3.08Å
364	S	98.4	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-44.8	176.4	47.2	0	0	0	0	111	T361 G366 I367 M368	T361-S364 PolarHBondContact N-OG 3.42Å; T361-S364 PolarHBondContact O-OG 2.73Å; T361-S364 VanDerWaalsContact O-OG 3.11Å; T361-S364 PolarHBondContact OG1-N 2.69Å; T361-S364 PolarHBondContact OG1-OG 3.08Å; S364-G366 PolarHBondContact O-N 3.43Å; S364-I367 PolarHBondContact O-N 3.24Å; S364-M368 VanDerWaalsContact O-CG 3.31Å; S364-M368 WeakPolarHBondContact O-CG 3.47Å; S364-M368 PolarHBondContact O-N 3.25Å
365	A	98.6	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.8	-36.9	177.3	0	0	0	0	0	113.6	V360 T361 C362 M368 A369 I425 M427 A437	V360-A365 HydrophobicContact CG2-CB 4.39Å; T361-A365 WeakPolarHBondContact O-CB 3.24Å; T361-A365 PolarHBondContact O-N 3.38Å; C362-A365 PolarHBondContact O-N 3.28Å; A365-M368 HydrophobicContact CB-CE 4.37Å; A365-M368 PolarHBondContact O-N 3.03Å; A365-A369 WeakPolarHBondContact O-CB 3.33Å; A365-A369 PolarHBondContact O-N 3.08Å; A365-I425 HydrophobicContact CB-CD1 3.72Å; A365-M427 HydrophobicContact CB-CE 4.34Å; A365-A437 HydrophobicContact CB-CB 3.55Å
366	G	98.5	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.7	-39.4	175.5	0	0	0	0	0	112.2	C362 E363 S364 A369 G370	C362-G366 PolarHBondContact O-N 3.09Å; E363-G366 PolarHBondContact O-N 2.89Å; S364-G366 PolarHBondContact O-N 3.43Å; G366-A369 PolarHBondContact O-N 3.2Å; G366-G370 PolarHBondContact O-N 3.02Å
367	I	98.7	Very high	98.5	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-71	-38.9	174.9	-62.5	160.5	0	0	0	111.2	C204 M303 A305 L307 E363 S364 A369 G370 T371 L380	C204-I367 HydrophobicContact CB-CB 4.43Å; C204-I367 HydrophobicContact CB-CG1 3.86Å; M303-I367 CarbonylContact O-C 3.14Å; M303-I367 WeakPolarHBondContact O-CG2 3.49Å; A305-I367 HydrophobicContact CB-CG2 4.13Å; L307-I367 HydrophobicContact CD1-CD1 3.51Å; L307-I367 HydrophobicContact CG-CD1 4.37Å; E363-I367 WeakPolarHBondContact O-CD1 3.45Å; E363-I367 WeakPolarHBondContact O-CG1 3.38Å; E363-I367 PolarHBondContact O-N 3.3Å; E363-I367 VanDerWaalsContact O-N 3.08Å; S364-I367 PolarHBondContact O-N 3.24Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 2.85Å; I367-G370 CarbonylContact O-C 3.35Å; I367-G370 WeakPolarHBondContact O-CA 3.32Å; I367-G370 PolarHBondContact O-N 3.48Å; I367-G370 VanDerWaalsContact O-N 3.07Å; I367-T371 PolarHBondContact O-N 2.8Å; I367-T371 PolarHBondContact O-OG1 2.91Å; I367-T371 VanDerWaalsContact O-OG1 3.14Å; I367-L380 HydrophobicContact CD1-CD1 3.59Å; I367-L380 HydrophobicContact CG1-CD1 3.96Å; I367-L380 HydrophobicContact CG2-CD1 4.08Å; I367-L380 HydrophobicContact CG2-CG 4.49Å
368	M	98.7	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.5	-44	173	-71.1	-170.7	-92	0	0	111.5	I222 I229 F300 M303 A304 M309 V360 S364 A365 G370 T371 L372 M427	I222-M368 HydrophobicContact CD1-CE 4.42Å; I229-M368 HydrophobicContact CD1-CB 4.45Å; I229-M368 HydrophobicContact CD1-SD 3.7Å; F300-M368 HydrophobicContact CB-SD 4.34Å; F300-M368 HydrophobicContact CD1-SD 4.19Å; F300-M368 HydrophobicContact CG-SD 4.39Å; M303-M368 HydrophobicContact CB-CB 4.22Å; M303-M368 HydrophobicContact CB-CG 3.66Å; M303-M368 HydrophobicContact CB-SD 4.45Å; M303-M368 WeakPolarHBondContact CE-O 3.38Å; M303-M368 WeakPolarHBondContact O-CA 3.27Å; M303-M368 PolarHBondContact O-N 2.69Å; A304-M368 HydrophobicContact CB-CG 3.98Å; M309-M368 HydrophobicContact SD-CE 4.36Å; V360-M368 HydrophobicContact CB-CE 4.29Å; V360-M368 HydrophobicContact CG1-CE 3.65Å; S364-M368 VanDerWaalsContact O-CG 3.31Å; S364-M368 WeakPolarHBondContact O-CG 3.47Å; S364-M368 PolarHBondContact O-N 3.25Å; A365-M368 HydrophobicContact CB-CE 4.37Å; A365-M368 PolarHBondContact O-N 3.03Å; M368-G370 VanDerWaalsContact C-N 3.32Å; M368-G370 PolarHBondContact O-N 3.36Å; M368-T371 WeakPolarHBondContact O-CB 3.31Å; M368-T371 PolarHBondContact O-N 3.06Å; M368-L372 PolarHBondContact O-N 3.2Å; M368-M427 HydrophobicContact CB-CE 4.19Å
369	A	98.8	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-40.3	172.4	0	0	0	0	0	111.8	A365 G366 I367 T371 L372 A373 M427 V429	A365-A369 WeakPolarHBondContact O-CB 3.33Å; A365-A369 PolarHBondContact O-N 3.08Å; G366-A369 PolarHBondContact O-N 3.2Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 2.85Å; A369-T371 VanDerWaalsContact C-N 3.29Å; A369-T371 PolarHBondContact O-N 2.89Å; A369-L372 PolarHBondContact O-N 3.2Å; A369-A373 PolarHBondContact O-N 3.2Å; A369-M427 HydrophobicContact CB-CG 3.73Å; A369-M427 HydrophobicContact CB-SD 4.3Å; A369-V429 HydrophobicContact CB-CG2 4.06Å
370	G	98.6	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-35.7	176.2	0	0	0	0	0	112.6	G366 I367 M368 A373 N374	G366-G370 PolarHBondContact O-N 3.02Å; I367-G370 CarbonylContact O-C 3.35Å; I367-G370 WeakPolarHBondContact O-CA 3.32Å; I367-G370 PolarHBondContact O-N 3.48Å; I367-G370 VanDerWaalsContact O-N 3.07Å; M368-G370 VanDerWaalsContact C-N 3.32Å; M368-G370 PolarHBondContact O-N 3.36Å; G370-A373 WeakPolarHBondContact O-CB 3.45Å; G370-A373 PolarHBondContact O-N 3.15Å; G370-N374 WeakPolarHBondContact O-CB 3.33Å; G370-N374 PolarHBondContact O-N 3.47Å
371	T	98.8	Very high	98.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-43.9	173	-60.3	0	0	0	0	111.3	M303 I367 M368 A369 N374 G376 N378 V385	M303-T371 HydrophobicContact CB-CG2 4.49Å; M303-T371 HydrophobicContact CE-CG2 3.93Å; M303-T371 HydrophobicContact CG-CG2 4.16Å; M303-T371 PolarHBondContact O-OG1 3.38Å; I367-T371 PolarHBondContact O-N 2.8Å; I367-T371 PolarHBondContact O-OG1 2.91Å; I367-T371 VanDerWaalsContact O-OG1 3.14Å; M368-T371 WeakPolarHBondContact O-CB 3.31Å; M368-T371 PolarHBondContact O-N 3.06Å; A369-T371 VanDerWaalsContact C-N 3.29Å; A369-T371 PolarHBondContact O-N 2.89Å; T371-N374 PolarHBondContact O-N 3.36Å; T371-G376 VanDerWaalsContact O-CA 3.24Å; T371-G376 WeakPolarHBondContact O-CA 3.42Å; T371-G376 PolarHBondContact O-N 2.88Å; T371-N378 WeakPolarHBondContact OG1-CA 3.42Å; T371-V385 HydrophobicContact CG2-CB 4.44Å; T371-V385 HydrophobicContact CG2-CG2 4.37Å
372	L	98.8	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-41	173.6	-68	174.7	0	0	0	112	A232 M303 M368 A369 N374 G375 V386 L395 M398 V429	A232-L372 HydrophobicContact CB-CD2 4.39Å; M303-L372 HydrophobicContact CE-CD2 4.02Å; M303-L372 HydrophobicContact CE-CG 3.85Å; M368-L372 PolarHBondContact O-N 3.2Å; A369-L372 PolarHBondContact O-N 3.2Å; L372-N374 PolarHBondContact O-N 2.82Å; L372-G375 PolarHBondContact O-N 2.72Å; L372-V386 HydrophobicContact CD2-CG2 4.23Å; L372-L395 HydrophobicContact CB-CD2 4.33Å; L372-M398 HydrophobicContact CD1-SD 4.24Å; L372-V429 HydrophobicContact CB-CG2 4.18Å; L372-V429 HydrophobicContact CD1-CG2 4.44Å
373	A	98.7	Very high	98.2	Very high	3 Å²	3	19.1 Å²	19.1	3%	0.025	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-34.7	176.4	0	0	0	0	0	112.3	V206 A369 G370 G375 V429 N432 L434	V206-A373 HydrophobicContact CG1-CB 3.97Å; A369-A373 PolarHBondContact O-N 3.2Å; G370-A373 WeakPolarHBondContact O-CB 3.45Å; G370-A373 PolarHBondContact O-N 3.15Å; A373-G375 VanDerWaalsContact C-N 3.3Å; A373-G375 PolarHBondContact O-N 3.01Å; A373-V429 HydrophobicContact CB-CG1 3.74Å; A373-N432 WeakPolarHBondContact O-CA 3.39Å; A373-N432 PolarHBondContact O-N 3.14Å; A373-L434 WeakPolarHBondContact CB-O 3.46Å
374	N	98.6	Very high	98.2	Very high	44 Å²	44	21 Å²	21	24%	0.235	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	26	-178.9	-162.4	28	0	0	0	113.2	V206 G370 T371 L372 G376 I377 P379	V206-N374 HydrophobicContact CB-CB 4.02Å; V206-N374 HydrophobicContact CG1-CB 3.76Å; G370-N374 WeakPolarHBondContact O-CB 3.33Å; G370-N374 PolarHBondContact O-N 3.47Å; T371-N374 PolarHBondContact O-N 3.36Å; L372-N374 PolarHBondContact O-N 2.82Å; N374-G376 VanDerWaalsContact C-N 3.25Å; N374-G376 PolarHBondContact O-N 3.03Å; N374-I377 VanDerWaalsContact CB-O 3.32Å; N374-I377 WeakPolarHBondContact CB-O 3.47Å; N374-I377 PolarHBondContact ND2-O 2.89Å; N374-I377 PolarHBondContact O-N 3.46Å; N374-P379 HydrophobicContact CB-CG 4.46Å
375	G	98.1	Very high	98.2	Very high	26 Å²	26	21.1 Å²	21.1	27%	0.268	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	26.6	175.7	0	0	0	0	0	114.1	L372 A373 A388	L372-G375 PolarHBondContact O-N 2.72Å; A373-G375 VanDerWaalsContact C-N 3.3Å; A373-G375 PolarHBondContact O-N 3.01Å; G375-A388 VanDerWaalsContact O-CA 3.26Å; G375-A388 WeakPolarHBondContact O-CA 3.48Å
376	G	98.1	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	3.9	177.1	0	0	0	0	0	116.1	T371 N374 V385 V386	T371-G376 VanDerWaalsContact O-CA 3.24Å; T371-G376 WeakPolarHBondContact O-CA 3.42Å; T371-G376 PolarHBondContact O-N 2.88Å; N374-G376 VanDerWaalsContact C-N 3.25Å; N374-G376 PolarHBondContact O-N 3.03Å; G376-V385 PolarHBondContact O-N 2.65Å; G376-V386 WeakPolarHBondContact CA-O 3.44Å; G376-V386 PolarHBondContact O-N 2.72Å
377	I	98.7	Very high	98.1	Very high	47 Å²	47	23.2 Å²	23.2	24%	0.241	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-98.8	124.7	176.6	-58.9	174	0	0	0	109.2	N374 P379 E383	N374-I377 VanDerWaalsContact CB-O 3.32Å; N374-I377 WeakPolarHBondContact CB-O 3.47Å; N374-I377 PolarHBondContact ND2-O 2.89Å; N374-I377 PolarHBondContact O-N 3.46Å; I377-P379 WeakPolarHBondContact O-CD 3.42Å; I377-E383 CarbonylContact C-O 3.37Å; I377-E383 WeakPolarHBondContact CA-O 3.37Å
378	N	98.6	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.162	C	C	.	.			trans	-64.5	124.2	178.7	-176.6	-60.4	0	0	0	110.5	Q302 M303 A305 T371 L380 T381 N382 E383 V385	Q302-N378 PolarHBondContact O-ND2 3.27Å; M303-N378 PolarHBondContact O-ND2 2.89Å; A305-N378 PolarHBondContact N-ND2 3.39Å; A305-N378 VanDerWaalsContact N-ND2 3.12Å; T371-N378 WeakPolarHBondContact OG1-CA 3.42Å; N378-L380 PolarHBondContact O-N 3.3Å; N378-L380 WeakPolarHBondContact OD1-CA 3.44Å; N378-L380 WeakPolarHBondContact OD1-CB 3.34Å; N378-L380 PolarHBondContact OD1-N 3.01Å; N378-T381 WeakPolarHBondContact CB-OG1 3.44Å; N378-T381 PolarHBondContact O-N 2.89Å; N378-T381 PolarHBondContact OD1-N 3.19Å; N378-N382 WeakPolarHBondContact O-CA 3.44Å; N378-N382 PolarHBondContact O-N 2.95Å; N378-E383 PolarHBondContact N-O 3.06Å; N378-V385 HydrophobicContact CB-CG2 4.46Å
379	P	98	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.3	-176.5	-25.2	35	0	0	0	114.9	R105 T205 N374 I377	R105-P379 PolarHBondContact NE-O 3.46Å; R105-P379 PolarHBondContact NH1-O 3.32Å; T205-P379 VanDerWaalsContact O-CB 3.27Å; T205-P379 WeakPolarHBondContact O-CB 3.49Å; T205-P379 WeakPolarHBondContact O-CG 3.41Å; N374-P379 HydrophobicContact CB-CG 4.46Å; I377-P379 WeakPolarHBondContact O-CD 3.42Å
380	L	97.6	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-14	-172.8	-58.3	-178.9	0	0	0	113.7	P104 R105 A305 I367 N378	P104-L380 WeakPolarHBondContact CB-O 3.48Å; P104-L380 HydrophobicContact CG-CB 4.38Å; R105-L380 VanDerWaalsContact CG-O 3.29Å; R105-L380 WeakPolarHBondContact CG-O 3.34Å; A305-L380 HydrophobicContact CB-CB 3.8Å; A305-L380 HydrophobicContact CB-CD1 3.85Å; A305-L380 HydrophobicContact CB-CG 4.37Å; I367-L380 HydrophobicContact CD1-CD1 3.59Å; I367-L380 HydrophobicContact CG1-CD1 3.96Å; I367-L380 HydrophobicContact CG2-CD1 4.08Å; I367-L380 HydrophobicContact CG2-CG 4.49Å; N378-L380 PolarHBondContact O-N 3.3Å; N378-L380 WeakPolarHBondContact OD1-CA 3.44Å; N378-L380 WeakPolarHBondContact OD1-CB 3.34Å; N378-L380 PolarHBondContact OD1-N 3.01Å
381	T	97	Very high	98.1	Very high	42 Å²	42	28.8 Å²	28.8	26%	0.258	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-15.1	179.1	68	0	0	0	0	113.1	P104 A305 N378 E383	P104-T381 HydrophobicContact CB-CG2 4.48Å; P104-T381 HydrophobicContact CG-CG2 4.48Å; A305-T381 HydrophobicContact CB-CG2 3.88Å; N378-T381 WeakPolarHBondContact CB-OG1 3.44Å; N378-T381 PolarHBondContact O-N 2.89Å; N378-T381 PolarHBondContact OD1-N 3.19Å; T381-E383 PolarHBondContact O-N 3.03Å; T381-E383 WeakPolarHBondContact OG1-CB 3.46Å; T381-E383 WeakPolarHBondContact OG1-CG 3.44Å; T381-E383 PolarHBondContact OG1-N 3.5Å
382	N	95.6	Very high	98	Very high	77 Å²	77	35.9 Å²	35.9	41%	0.412	21%	0.209	S	C	.	.			trans	59.4	14.6	-169.6	-59	-47.4	0	0	0	114.2	N378	N378-N382 WeakPolarHBondContact O-CA 3.44Å; N378-N382 PolarHBondContact O-N 2.95Å
383	E	97.1	Very high	98	Very high	100 Å²	100	37.3 Å²	37.3	47%	0.467	22%	0.216	S	C	.	.			trans	-77	135	175.2	-66.8	-177	164	0	0	110.6	I377 N378 T381 V385	I377-E383 CarbonylContact C-O 3.37Å; I377-E383 WeakPolarHBondContact CA-O 3.37Å; N378-E383 PolarHBondContact N-O 3.06Å; T381-E383 PolarHBondContact O-N 3.03Å; T381-E383 WeakPolarHBondContact OG1-CB 3.46Å; T381-E383 WeakPolarHBondContact OG1-CG 3.44Å; T381-E383 PolarHBondContact OG1-N 3.5Å; E383-V385 PolarHBondContact O-N 2.71Å
384	T	98	Very high	98	Very high	98 Å²	98	37.1 Å²	37.1	60%	0.601	22%	0.215	S	C	*	.	B	Isolated β-bridge	trans	-81.8	112.8	171.7	-56	0	0	0	0	108.8
385	V	98	Very high	98	Very high	3 Å²	3	36 Å²	36	2%	0.018	21%	0.209	C	C	.	.			trans	-100.7	-40.2	-177.7	-166.6	0	0	0	0	111.5	K299 Q302 M303 T371 G376 N378 E383	K299-V385 HydrophobicContact CD-CG1 4.01Å; Q302-V385 HydrophobicContact CB-CG1 3.91Å; Q302-V385 HydrophobicContact CB-CG2 3.91Å; M303-V385 HydrophobicContact CG-CB 3.91Å; M303-V385 HydrophobicContact CG-CG1 3.5Å; M303-V385 VanDerWaalsContact CG-CG1 3.5Å; M303-V385 HydrophobicContact CG-CG2 4.27Å; M303-V385 HydrophobicContact SD-CG1 4.48Å; T371-V385 HydrophobicContact CG2-CB 4.44Å; T371-V385 HydrophobicContact CG2-CG2 4.37Å; G376-V385 PolarHBondContact O-N 2.65Å; N378-V385 HydrophobicContact CB-CG2 4.46Å; E383-V385 PolarHBondContact O-N 2.71Å
386	V	98	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-126.8	152.7	174.3	-63.1	0	0	0	0	110.1	A232 L233 T236 L372 G376 A391	A232-V386 HydrophobicContact CB-CB 4.39Å; A232-V386 HydrophobicContact CB-CG1 3.92Å; L233-V386 HydrophobicContact CD2-CG1 3.9Å; T236-V386 WeakPolarHBondContact OG1-CA 3.28Å; L372-V386 HydrophobicContact CD2-CG2 4.23Å; G376-V386 WeakPolarHBondContact CA-O 3.44Å; G376-V386 PolarHBondContact O-N 2.72Å; V386-A391 HydrophobicContact CG2-CB 4.4Å
387	S	98.1	Very high	98	Very high	43 Å²	43	38.1 Å²	38.1	30%	0.301	22%	0.22	S	C	.	.			trans	-69.8	151.1	177.4	72.5	0	0	0	0	111.5	T236 A389 A390 A391	T236-S387 PolarHBondContact OG1-N 3Å; S387-A389 PolarHBondContact O-N 3.32Å; S387-A390 WeakPolarHBondContact O-CB 3.26Å; S387-A390 PolarHBondContact O-N 3.02Å; S387-A390 VanDerWaalsContact O-N 3.09Å; S387-A390 WeakPolarHBondContact OG-CB 3.06Å; S387-A390 PolarHBondContact OG-N 3.29Å; S387-A390 VanDerWaalsContact OG-N 3.12Å; S387-A391 PolarHBondContact O-N 3.38Å
388	A	98.2	Very high	98	Very high	70 Å²	70	36 Å²	36	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-60	-34.4	177.5	0	0	0	0	0	113.1	G375 R392	G375-A388 VanDerWaalsContact O-CA 3.26Å; G375-A388 WeakPolarHBondContact O-CA 3.48Å; A388-R392 PolarHBondContact O-N 3.24Å
389	A	98.2	Very high	98	Very high	47 Å²	47	37.7 Å²	37.7	39%	0.388	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-45	174.1	0	0	0	0	0	111.3	S387 A391 R392 D393	S387-A389 PolarHBondContact O-N 3.32Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.31Å; A389-R392 PolarHBondContact O-N 3.14Å; A389-D393 VanDerWaalsContact O-CG 3.27Å; A389-D393 PolarHBondContact O-N 3.27Å
390	A	98.6	Very high	98	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-41.1	176	0	0	0	0	0	112.2	A232 L235 T236 S387 D393 T394	A232-A390 WeakPolarHBondContact O-CB 3.24Å; L235-A390 HydrophobicContact CB-CB 3.57Å; L235-A390 HydrophobicContact CD1-CB 4.2Å; T236-A390 VanDerWaalsContact OG1-CB 3.3Å; T236-A390 WeakPolarHBondContact OG1-CB 3.35Å; S387-A390 WeakPolarHBondContact O-CB 3.26Å; S387-A390 PolarHBondContact O-N 3.02Å; S387-A390 VanDerWaalsContact O-N 3.09Å; S387-A390 WeakPolarHBondContact OG-CB 3.06Å; S387-A390 PolarHBondContact OG-N 3.29Å; S387-A390 VanDerWaalsContact OG-N 3.12Å; A390-D393 PolarHBondContact O-N 3.43Å; A390-T394 VanDerWaalsContact O-CB 3.22Å; A390-T394 WeakPolarHBondContact O-CB 3.31Å; A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 2.93Å
391	A	98.6	Very high	97.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-48	174.7	0	0	0	0	0	111.2	V386 S387 A389 D393 T394 L395	V386-A391 HydrophobicContact CG2-CB 4.4Å; S387-A391 PolarHBondContact O-N 3.38Å; A389-A391 VanDerWaalsContact C-N 3.35Å; A389-A391 PolarHBondContact O-N 3.31Å; A391-D393 PolarHBondContact O-N 3.39Å; A391-T394 PolarHBondContact O-N 3.36Å; A391-L395 WeakPolarHBondContact O-CB 3.2Å; A391-L395 WeakPolarHBondContact O-CG 3.43Å; A391-L395 PolarHBondContact O-N 3.25Å
392	R	98.4	Very high	97.9	Very high	150 Å²	150	37.8 Å²	37.8	57%	0.566	22%	0.219	S	C	*	.	H	α-helix	trans	-56.4	-49.9	176.2	179.9	-161.3	66.1	-159.9	-4.6	112.1	A388 A389 T394 L395 S396	A388-R392 PolarHBondContact O-N 3.24Å; A389-R392 PolarHBondContact O-N 3.14Å; R392-T394 VanDerWaalsContact C-N 3.34Å; R392-L395 PolarHBondContact O-N 3.09Å; R392-S396 PolarHBondContact O-N 3.13Å; R392-S396 PolarHBondContact O-OG 3.12Å
393	D	98.6	Very high	97.9	Very high	29 Å²	29	34.2 Å²	34.2	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-38.1	-175.8	-63.7	-7.5	0	0	0	110.5	L235 A389 A390 A391 S396 V397	L235-D393 HydrophobicContact CD1-CB 3.79Å; A389-D393 VanDerWaalsContact O-CG 3.27Å; A389-D393 PolarHBondContact O-N 3.27Å; A390-D393 PolarHBondContact O-N 3.43Å; A391-D393 PolarHBondContact O-N 3.39Å; D393-S396 WeakPolarHBondContact O-CB 3.09Å; D393-S396 PolarHBondContact O-N 3.47Å; D393-V397 WeakPolarHBondContact O-CG2 3.41Å; D393-V397 PolarHBondContact O-N 3.14Å; D393-V397 VanDerWaalsContact O-N 3.13Å
394	T	98.8	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-48.2	173.2	-59	0	0	0	0	111.8	P228 Y231 A232 A390 A391 R392 S396 V397 M398	P228-T394 HydrophobicContact CB-CG2 3.7Å; P228-T394 VanDerWaalsContact O-CG2 3.28Å; P228-T394 WeakPolarHBondContact O-CG2 3.45Å; Y231-T394 HydrophobicContact CD1-CG2 4.23Å; A232-T394 WeakPolarHBondContact CA-OG1 3.5Å; A232-T394 HydrophobicContact CB-CG2 4.26Å; A232-T394 WeakPolarHBondContact CB-OG1 3.41Å; A390-T394 VanDerWaalsContact O-CB 3.22Å; A390-T394 WeakPolarHBondContact O-CB 3.31Å; A390-T394 PolarHBondContact O-N 2.91Å; A390-T394 PolarHBondContact O-OG1 2.93Å; A391-T394 PolarHBondContact O-N 3.36Å; R392-T394 VanDerWaalsContact C-N 3.34Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 2.88Å; T394-V397 PolarHBondContact O-N 3.4Å; T394-M398 HydrophobicContact CG2-CG 4.37Å; T394-M398 HydrophobicContact CG2-SD 4.01Å; T394-M398 WeakPolarHBondContact O-CB 3.33Å; T394-M398 WeakPolarHBondContact O-CG 3.44Å; T394-M398 PolarHBondContact O-N 2.89Å
395	L	98.7	Very high	97.5	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-34.7	178.9	-68.1	171.9	0	0	0	112.2	L372 A391 R392 M398 H399 P417 V429 P431	L372-L395 HydrophobicContact CB-CD2 4.33Å; A391-L395 WeakPolarHBondContact O-CB 3.2Å; A391-L395 WeakPolarHBondContact O-CG 3.43Å; A391-L395 PolarHBondContact O-N 3.25Å; R392-L395 PolarHBondContact O-N 3.09Å; L395-M398 HydrophobicContact CD2-SD 4.15Å; L395-M398 PolarHBondContact O-N 3.36Å; L395-H399 WeakPolarHBondContact O-CB 3.44Å; L395-H399 PolarHBondContact O-N 2.72Å; L395-P417 HydrophobicContact CB-CB 4.26Å; L395-P417 HydrophobicContact CB-CG 4.2Å; L395-P417 HydrophobicContact CD2-CB 3.77Å; L395-P417 HydrophobicContact CD2-CG 4.18Å; L395-V429 HydrophobicContact CD1-CG1 4.33Å; L395-V429 HydrophobicContact CD2-CB 3.61Å; L395-V429 HydrophobicContact CD2-CG1 3.46Å; L395-V429 VanDerWaalsContact CD2-CG1 3.46Å; L395-V429 HydrophobicContact CD2-CG2 3.86Å; L395-P431 HydrophobicContact CD1-CG 4.28Å
396	S	98.2	Very high	97.4	Very high	68 Å²	68	30.1 Å²	30.1	48%	0.476	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-46.8	175.5	-55.8	0	0	0	0	111	R392 D393 T394 H399 S400	R392-S396 PolarHBondContact O-N 3.13Å; R392-S396 PolarHBondContact O-OG 3.12Å; D393-S396 WeakPolarHBondContact O-CB 3.09Å; D393-S396 PolarHBondContact O-N 3.47Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 2.88Å; S396-H399 PolarHBondContact O-N 3.48Å; S396-S400 PolarHBondContact O-N 2.82Å; S396-S400 PolarHBondContact O-OG 2.95Å
397	V	98.1	Very high	97.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-36.4	177.7	-176.1	0	0	0	0	111.7	Y231 N269 P270 L271 D393 T394 H399 S400 C401	Y231-V397 HydrophobicContact CE1-CB 4.4Å; Y231-V397 HydrophobicContact CE1-CG2 4Å; N269-V397 HydrophobicContact CB-CG1 4.11Å; P270-V397 HydrophobicContact CG-CG1 3.98Å; L271-V397 HydrophobicContact CD1-CB 4.47Å; L271-V397 HydrophobicContact CD1-CG1 3.82Å; L271-V397 HydrophobicContact CG-CG1 3.77Å; D393-V397 WeakPolarHBondContact O-CG2 3.41Å; D393-V397 PolarHBondContact O-N 3.14Å; D393-V397 VanDerWaalsContact O-N 3.13Å; T394-V397 PolarHBondContact O-N 3.4Å; V397-H399 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 2.87Å; V397-S400 PolarHBondContact O-N 3.36Å; V397-S400 PolarHBondContact O-OG 3.26Å; V397-C401 HydrophobicContact CG1-CB 4.03Å; V397-C401 WeakPolarHBondContact O-CA 3.45Å; V397-C401 VanDerWaalsContact O-CB 3.27Å; V397-C401 WeakPolarHBondContact O-CB 3.49Å; V397-C401 PolarHBondContact O-N 3.37Å
398	M	98.5	Very high	97	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-41.7	173.8	-76.7	176.2	70.5	0	0	111.7	P228 L271 L372 T394 L395 G402 P417 K419 V429	P228-M398 HydrophobicContact CB-CG 3.78Å; P228-M398 HydrophobicContact CB-SD 3.59Å; P228-M398 VanDerWaalsContact CB-SD 3.59Å; P228-M398 HydrophobicContact CG-CE 4.41Å; P228-M398 HydrophobicContact CG-CG 3.86Å; P228-M398 HydrophobicContact CG-SD 4Å; L271-M398 HydrophobicContact CD1-CB 4.47Å; L271-M398 HydrophobicContact CD1-CG 4.08Å; L372-M398 HydrophobicContact CD1-SD 4.24Å; T394-M398 HydrophobicContact CG2-CG 4.37Å; T394-M398 HydrophobicContact CG2-SD 4.01Å; T394-M398 WeakPolarHBondContact O-CB 3.33Å; T394-M398 WeakPolarHBondContact O-CG 3.44Å; T394-M398 PolarHBondContact O-N 2.89Å; L395-M398 HydrophobicContact CD2-SD 4.15Å; L395-M398 PolarHBondContact O-N 3.36Å; M398-G402 WeakPolarHBondContact O-CA 3.38Å; M398-G402 PolarHBondContact O-N 2.94Å; M398-G402 VanDerWaalsContact O-N 3.09Å; M398-P417 HydrophobicContact CB-CB 3.87Å; M398-K419 HydrophobicContact CE-CB 4.27Å; M398-V429 HydrophobicContact CE-CG2 4.11Å
399	H	98.1	Very high	96.9	Very high	36 Å²	36	32.4 Å²	32.4	17%	0.167	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-44.4	177.3	177.8	78.5	0	0	0	111.9	L395 S396 V397 P417	L395-H399 WeakPolarHBondContact O-CB 3.44Å; L395-H399 PolarHBondContact O-N 2.72Å; S396-H399 PolarHBondContact O-N 3.48Å; V397-H399 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 2.87Å; H399-P417 HydrophobicContact CB-CB 4.48Å; H399-P417 HydrophobicContact CB-CG 4.31Å
400	S	96.8	Very high	96.9	Very high	34 Å²	34	30.2 Å²	30.2	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-89.3	-23.2	-175	63.1	0	0	0	0	115.2	S396 V397 S407	S396-S400 PolarHBondContact O-N 2.82Å; S396-S400 PolarHBondContact O-OG 2.95Å; V397-S400 PolarHBondContact O-N 3.36Å; V397-S400 PolarHBondContact O-OG 3.26Å; S400-S407 VanDerWaalsContact O-CB 3.26Å; S400-S407 WeakPolarHBondContact O-CB 3.42Å
401	C	96.6	Very high	96.8	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-133.6	7.6	-166.2	-54.1	0	0	0	0	114.2	N269 L271 V397	N269-C401 HydrophobicContact CB-CB 4.47Å; L271-C401 HydrophobicContact CB-CB 4.39Å; L271-C401 HydrophobicContact CD1-CB 4.27Å; V397-C401 HydrophobicContact CG1-CB 4.03Å; V397-C401 WeakPolarHBondContact O-CA 3.45Å; V397-C401 VanDerWaalsContact O-CB 3.27Å; V397-C401 WeakPolarHBondContact O-CB 3.49Å; V397-C401 PolarHBondContact O-N 3.37Å
402	G	96.6	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-77.5	-27.2	-166.7	0	0	0	0	0	117.7	M398 S407 C418 K419 S420	M398-G402 WeakPolarHBondContact O-CA 3.38Å; M398-G402 PolarHBondContact O-N 2.94Å; M398-G402 VanDerWaalsContact O-N 3.09Å; G402-S407 PolarHBondContact N-OG 2.94Å; G402-C418 WeakPolarHBondContact CA-O 3.47Å; G402-K419 WeakPolarHBondContact O-CA 3.24Å; G402-K419 VanDerWaalsContact O-CD 3.31Å; G402-K419 WeakPolarHBondContact O-CD 3.42Å; G402-K419 PolarHBondContact O-NZ 3.43Å; G402-S420 PolarHBondContact O-N 2.98Å
403	M	96.6	Very high	96.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-116.3	39.6	-162.6	-54.5	-56	-71.2	0	0	112.6	D405 Y406 S407 F410 C418 I426 N448 I453	M403-D405 PolarHBondContact O-N 3.38Å; M403-Y406 WeakPolarHBondContact O-CA 3.48Å; M403-Y406 WeakPolarHBondContact O-CB 3.44Å; M403-Y406 PolarHBondContact O-N 2.79Å; M403-S407 PolarHBondContact N-OG 2.78Å; M403-S407 PolarHBondContact O-N 2.95Å; M403-F410 HydrophobicContact CB-CB 4.23Å; M403-F410 HydrophobicContact CB-CG 4.37Å; M403-F410 HydrophobicContact CE-CD2 4.34Å; M403-F410 HydrophobicContact CE-CE2 4.21Å; M403-F410 HydrophobicContact CG-CB 4.05Å; M403-F410 HydrophobicContact CG-CD1 3.85Å; M403-F410 HydrophobicContact CG-CD2 4.09Å; M403-F410 HydrophobicContact CG-CE1 4.33Å; M403-F410 HydrophobicContact CG-CG 3.71Å; M403-C418 HydrophobicContact CG-CB 4.2Å; M403-C418 HydrophobicContact SD-CB 3.49Å; M403-C418 WeakPolarHBondContact SD-CB 3.42Å; M403-I426 HydrophobicContact CE-CD1 3.85Å; M403-I426 HydrophobicContact CE-CG1 4.22Å; M403-I426 HydrophobicContact CE-CG2 3.81Å; M403-I426 HydrophobicContact SD-CG2 4.19Å; M403-N448 HydrophobicContact CE-CB 4.34Å; M403-N448 WeakPolarHBondContact CE-OD1 3.4Å; M403-N448 PolarHBondContact O-ND2 3.34Å; M403-N448 VanDerWaalsContact O-ND2 3.16Å; M403-I453 HydrophobicContact CE-CD1 3.43Å; M403-I453 VanDerWaalsContact CE-CD1 3.43Å
404	Y	93.4	Very high	96.6	Very high	24 Å²	24	35.5 Å²	35.5	9%	0.094	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	52.9	-137.1	-175.3	-53	-71.8	0	0	0	110.8	F256 Y406 S407 S420 H446 G447 N448	F256-Y404 HydrophobicContact CB-CD1 4.49Å; F256-Y404 HydrophobicContact CD1-CD1 4.26Å; F256-Y404 HydrophobicContact CD1-CG 4.44Å; F256-Y404 AromaticContact CD2-CD1 3.93Å; F256-Y404 HydrophobicContact CD2-CD1 3.93Å; F256-Y404 HydrophobicContact CD2-CE1 4.5Å; F256-Y404 HydrophobicContact CE1-CD1 4.48Å; F256-Y404 HydrophobicContact CE2-CD1 4.18Å; F256-Y404 HydrophobicContact CE2-CE1 4.49Å; F256-Y404 AromaticContact CG-CD1 3.98Å; F256-Y404 HydrophobicContact CG-CD1 3.98Å; F256-Y404 HydrophobicContact CZ-CD1 4.44Å; Y404-Y406 PolarHBondContact O-N 2.86Å; Y404-S407 PolarHBondContact N-OG 2.97Å; Y404-S407 WeakPolarHBondContact O-CB 3.36Å; Y404-S407 PolarHBondContact O-N 3.17Å; Y404-S407 VanDerWaalsContact O-N 3.15Å; Y404-S407 PolarHBondContact O-OG 2.99Å; Y404-S420 PolarHBondContact OH-O 3.48Å; Y404-H446 WeakPolarHBondContact CB-O 3.47Å; Y404-H446 VanDerWaalsContact CD2-O 3.23Å; Y404-H446 WeakPolarHBondContact CD2-O 3.35Å; Y404-G447 VanDerWaalsContact CE2-O 3.3Å; Y404-G447 WeakPolarHBondContact CE2-O 3.35Å; Y404-N448 VanDerWaalsContact CD2-OD1 3.29Å; Y404-N448 WeakPolarHBondContact CD2-OD1 3.41Å
405	D	92.4	Very high	96.5	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.8	-13.8	179.1	-61.4	-14	0	0	0	112.9	P255 F256 M403 S407	P255-D405 WeakPolarHBondContact CA-OD1 3.49Å; F256-D405 WeakPolarHBondContact CD1-OD1 3.45Å; F256-D405 PolarHBondContact N-OD1 3.45Å; M403-D405 PolarHBondContact O-N 3.38Å; D405-S407 VanDerWaalsContact C-N 3.32Å
406	Y	95.1	Very high	96.5	Very high	21 Å²	21	34.6 Å²	34.6	8%	0.082	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-84.2	-4.4	176.5	-165.5	-122.3	0	0	0	113.1	M403 Y404 G408 Q409 F410 I453 Q457	M403-Y406 WeakPolarHBondContact O-CA 3.48Å; M403-Y406 WeakPolarHBondContact O-CB 3.44Å; M403-Y406 PolarHBondContact O-N 2.79Å; Y404-Y406 PolarHBondContact O-N 2.86Å; Y406-G408 PolarHBondContact O-N 2.71Å; Y406-Q409 HydrophobicContact CD2-CB 3.71Å; Y406-Q409 HydrophobicContact CD2-CG 4.34Å; Y406-Q409 HydrophobicContact CE2-CB 3.44Å; Y406-Q409 VanDerWaalsContact CE2-CB 3.44Å; Y406-Q409 HydrophobicContact CE2-CG 4.2Å; Y406-Q409 HydrophobicContact CG-CB 4.49Å; Y406-Q409 PolarHBondContact O-N 2.92Å; Y406-Q409 VanDerWaalsContact O-N 3.16Å; Y406-F410 HydrophobicContact CD1-CB 3.88Å; Y406-F410 HydrophobicContact CD1-CD2 4.08Å; Y406-F410 HydrophobicContact CD1-CG 4.48Å; Y406-F410 HydrophobicContact CE1-CB 4.05Å; Y406-F410 AromaticContact CE1-CD2 3.91Å; Y406-F410 HydrophobicContact CE1-CD2 3.91Å; Y406-F410 WeakPolarHBondContact O-CB 3.27Å; Y406-F410 PolarHBondContact O-N 3.35Å; Y406-I453 HydrophobicContact CD1-CD1 4.11Å; Y406-I453 HydrophobicContact CE1-CD1 4.18Å; Y406-I453 HydrophobicContact CE1-CG2 4.11Å; Y406-Q457 PolarHBondContact OH-NE2 2.9Å
407	S	95.4	Very high	96.5	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-46.1	-173.1	-57.4	0	0	0	0	113.8	S400 G402 M403 Y404 D405 F410 A411	S400-S407 VanDerWaalsContact O-CB 3.26Å; S400-S407 WeakPolarHBondContact O-CB 3.42Å; G402-S407 PolarHBondContact N-OG 2.94Å; M403-S407 PolarHBondContact N-OG 2.78Å; M403-S407 PolarHBondContact O-N 2.95Å; Y404-S407 PolarHBondContact N-OG 2.97Å; Y404-S407 WeakPolarHBondContact O-CB 3.36Å; Y404-S407 PolarHBondContact O-N 3.17Å; Y404-S407 VanDerWaalsContact O-N 3.15Å; Y404-S407 PolarHBondContact O-OG 2.99Å; D405-S407 VanDerWaalsContact C-N 3.32Å; S407-F410 PolarHBondContact O-N 2.78Å; S407-A411 WeakPolarHBondContact O-CB 3.42Å; S407-A411 PolarHBondContact O-N 3.31Å
408	G	94	Very high	96.5	Very high	54 Å²	54	31.4 Å²	31.4	56%	0.557	17%	0.167	S	C	*	.	H	α-helix	trans	-65.3	-42.1	180	0	0	0	0	0	113.3	Y406 F412	Y406-G408 PolarHBondContact O-N 2.71Å; G408-F412 PolarHBondContact O-N 2.95Å; G408-F412 VanDerWaalsContact O-N 3.16Å
409	Q	95.5	Very high	96.5	Very high	96 Å²	96	31.4 Å²	31.4	45%	0.449	17%	0.167	S	C	.	.	H	α-helix	trans	-69.8	-37.1	176.3	-69	-172.6	49.7	0	0	111.9	Y406 F412 K413	Y406-Q409 HydrophobicContact CD2-CB 3.71Å; Y406-Q409 HydrophobicContact CD2-CG 4.34Å; Y406-Q409 HydrophobicContact CE2-CB 3.44Å; Y406-Q409 VanDerWaalsContact CE2-CB 3.44Å; Y406-Q409 HydrophobicContact CE2-CG 4.2Å; Y406-Q409 HydrophobicContact CG-CB 4.49Å; Y406-Q409 PolarHBondContact O-N 2.92Å; Y406-Q409 VanDerWaalsContact O-N 3.16Å; Q409-F412 PolarHBondContact O-N 2.86Å; Q409-K413 WeakPolarHBondContact O-CB 3.36Å; Q409-K413 WeakPolarHBondContact O-CG 3.29Å; Q409-K413 PolarHBondContact O-N 3.26Å
410	F	97	Very high	96.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-44.6	176.5	-168.8	-86.4	0	0	0	111.2	M403 Y406 S407 F412 K413 V414 G415 L416 C418 I453 C456	M403-F410 HydrophobicContact CB-CB 4.23Å; M403-F410 HydrophobicContact CB-CG 4.37Å; M403-F410 HydrophobicContact CE-CD2 4.34Å; M403-F410 HydrophobicContact CE-CE2 4.21Å; M403-F410 HydrophobicContact CG-CB 4.05Å; M403-F410 HydrophobicContact CG-CD1 3.85Å; M403-F410 HydrophobicContact CG-CD2 4.09Å; M403-F410 HydrophobicContact CG-CE1 4.33Å; M403-F410 HydrophobicContact CG-CG 3.71Å; Y406-F410 HydrophobicContact CD1-CB 3.88Å; Y406-F410 HydrophobicContact CD1-CD2 4.08Å; Y406-F410 HydrophobicContact CD1-CG 4.48Å; Y406-F410 HydrophobicContact CE1-CB 4.05Å; Y406-F410 AromaticContact CE1-CD2 3.91Å; Y406-F410 HydrophobicContact CE1-CD2 3.91Å; Y406-F410 WeakPolarHBondContact O-CB 3.27Å; Y406-F410 PolarHBondContact O-N 3.35Å; S407-F410 PolarHBondContact O-N 2.78Å; F410-F412 PolarHBondContact O-N 3.09Å; F410-K413 PolarHBondContact O-N 3.01Å; F410-V414 HydrophobicContact CD1-CB 4.1Å; F410-V414 HydrophobicContact CD2-CB 4.34Å; F410-V414 HydrophobicContact CD2-CG2 4.01Å; F410-V414 HydrophobicContact CE1-CB 3.78Å; F410-V414 HydrophobicContact CE1-CG1 3.77Å; F410-V414 HydrophobicContact CE1-CG2 4.4Å; F410-V414 HydrophobicContact CE2-CB 4.06Å; F410-V414 HydrophobicContact CE2-CG1 4.23Å; F410-V414 HydrophobicContact CE2-CG2 3.75Å; F410-V414 HydrophobicContact CG-CB 4.36Å; F410-V414 HydrophobicContact CG-CG2 4.45Å; F410-V414 HydrophobicContact CZ-CB 3.77Å; F410-V414 HydrophobicContact CZ-CG1 3.58Å; F410-V414 HydrophobicContact CZ-CG2 3.97Å; F410-V414 WeakPolarHBondContact O-CA 3.47Å; F410-V414 WeakPolarHBondContact O-CB 3.46Å; F410-V414 PolarHBondContact O-N 2.84Å; F410-G415 PolarHBondContact O-N 2.69Å; F410-L416 WeakPolarHBondContact CE1-O 3.23Å; F410-C418 HydrophobicContact CE1-CB 3.79Å; F410-C418 WeakPolarHBondContact CE1-SG 3.26Å; F410-C418 HydrophobicContact CZ-CB 4.09Å; F410-C418 WeakPolarHBondContact CZ-SG 3.37Å; F410-I453 HydrophobicContact CD2-CD1 3.76Å; F410-I453 HydrophobicContact CE2-CD1 3.72Å; F410-C456 HydrophobicContact CE2-CB 3.95Å; F410-C456 HydrophobicContact CZ-CB 3.87Å
411	A	96.9	Very high	96.5	Very high	15 Å²	15	28 Å²	28	12%	0.124	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-36.4	174.6	0	0	0	0	0	112.2	S407 G415	S407-A411 WeakPolarHBondContact O-CB 3.42Å; S407-A411 PolarHBondContact O-N 3.31Å; A411-G415 WeakPolarHBondContact O-CA 3.36Å; A411-G415 PolarHBondContact O-N 3.44Å
412	F	96.5	Very high	96.5	Very high	172 Å²	172	29 Å²	29	75%	0.754	15%	0.153	S	C	*	.	H	α-helix	trans	-77	-41.8	178	-177.2	-94.6	0	0	0	113.9	G408 Q409 F410 H466	G408-F412 PolarHBondContact O-N 2.95Å; G408-F412 VanDerWaalsContact O-N 3.16Å; Q409-F412 PolarHBondContact O-N 2.86Å; F410-F412 PolarHBondContact O-N 3.09Å; F412-H466 PolarHBondContact O-NE2 3.28Å
413	K	96.8	Very high	96.6	Very high	105 Å²	105	29.2 Å²	29.2	46%	0.457	16%	0.155	S	C	.	.	H	α-helix	trans	-87.1	-37.2	-174	-68.4	177.9	179.7	172.3	0	113.2	Q409 F410	Q409-K413 WeakPolarHBondContact O-CB 3.36Å; Q409-K413 WeakPolarHBondContact O-CG 3.29Å; Q409-K413 PolarHBondContact O-N 3.26Å; F410-K413 PolarHBondContact O-N 3.01Å
414	V	97.9	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-42.4	-175.3	-177.5	0	0	0	0	110.8	F410 L416 C456 Q457 V460 H466	F410-V414 HydrophobicContact CD1-CB 4.1Å; F410-V414 HydrophobicContact CD2-CB 4.34Å; F410-V414 HydrophobicContact CD2-CG2 4.01Å; F410-V414 HydrophobicContact CE1-CB 3.78Å; F410-V414 HydrophobicContact CE1-CG1 3.77Å; F410-V414 HydrophobicContact CE1-CG2 4.4Å; F410-V414 HydrophobicContact CE2-CB 4.06Å; F410-V414 HydrophobicContact CE2-CG1 4.23Å; F410-V414 HydrophobicContact CE2-CG2 3.75Å; F410-V414 HydrophobicContact CG-CB 4.36Å; F410-V414 HydrophobicContact CG-CG2 4.45Å; F410-V414 HydrophobicContact CZ-CB 3.77Å; F410-V414 HydrophobicContact CZ-CG1 3.58Å; F410-V414 HydrophobicContact CZ-CG2 3.97Å; F410-V414 WeakPolarHBondContact O-CA 3.47Å; F410-V414 WeakPolarHBondContact O-CB 3.46Å; F410-V414 PolarHBondContact O-N 2.84Å; V414-L416 HydrophobicContact CG1-CB 4.07Å; V414-L416 HydrophobicContact CG1-CD1 4.04Å; V414-L416 HydrophobicContact CG1-CG 4.01Å; V414-L416 PolarHBondContact O-N 3.2Å; V414-C456 HydrophobicContact CG1-CB 4.01Å; V414-C456 HydrophobicContact CG2-CB 4.36Å; V414-Q457 HydrophobicContact CG2-CG 3.9Å; V414-V460 HydrophobicContact CG1-CG1 3.75Å; V414-V460 HydrophobicContact CG1-CG2 4.37Å; V414-V460 WeakPolarHBondContact O-CG1 3.12Å; V414-H466 PolarHBondContact O-CD2 3Å
415	G	97.5	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	64.9	22.3	174.8	0	0	0	0	0	114.6	F410 A411 H467	F410-G415 PolarHBondContact O-N 2.69Å; A411-G415 WeakPolarHBondContact O-CA 3.36Å; A411-G415 PolarHBondContact O-N 3.44Å; G415-H467 WeakPolarHBondContact O-CB 3.41Å; G415-H467 PolarHBondContact O-N 3.34Å
416	L	98.2	Very high	97.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.131	C	C	.	.			trans	-104.7	141.2	174.7	-67.5	177.2	0	0	0	110.8	F410 V414 C418 V428 V430 L459 V460 L465	F410-L416 WeakPolarHBondContact CE1-O 3.23Å; V414-L416 HydrophobicContact CG1-CB 4.07Å; V414-L416 HydrophobicContact CG1-CD1 4.04Å; V414-L416 HydrophobicContact CG1-CG 4.01Å; V414-L416 PolarHBondContact O-N 3.2Å; L416-C418 PolarHBondContact O-N 3.35Å; L416-V428 HydrophobicContact CB-CG1 4.43Å; L416-V428 HydrophobicContact CD1-CG1 3.98Å; L416-V430 HydrophobicContact CD1-CG2 4.26Å; L416-V430 HydrophobicContact CD2-CG2 3.99Å; L416-L459 HydrophobicContact CD1-CD2 4.37Å; L416-V460 HydrophobicContact CD1-CG1 3.91Å; L416-V460 HydrophobicContact CG-CG1 4.23Å; L416-L465 HydrophobicContact CD2-CB 4.39Å; L416-L465 WeakPolarHBondContact CD2-O 3.49Å
417	P	98.5	Very high	97.4	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.032	13%	0.128	C	C	.	.			trans	-60.3	116	166	-20.7	29.4	0	0	0	111	L395 M398 H399 V429 P431	L395-P417 HydrophobicContact CB-CB 4.26Å; L395-P417 HydrophobicContact CB-CG 4.2Å; L395-P417 HydrophobicContact CD2-CB 3.77Å; L395-P417 HydrophobicContact CD2-CG 4.18Å; M398-P417 HydrophobicContact CB-CB 3.87Å; H399-P417 HydrophobicContact CB-CB 4.48Å; H399-P417 HydrophobicContact CB-CG 4.31Å; P417-V429 HydrophobicContact CB-CB 4.41Å; P417-V429 WeakPolarHBondContact CD-O 3.44Å; P417-V429 PolarHBondContact O-N 3.48Å; P417-P431 HydrophobicContact CG-CG 4.32Å
418	C	98.3	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	162.5	-179.6	-65.4	0	0	0	0	111.8	G402 M403 F410 L416 I426 M427	G402-C418 WeakPolarHBondContact CA-O 3.47Å; M403-C418 HydrophobicContact CG-CB 4.2Å; M403-C418 HydrophobicContact SD-CB 3.49Å; M403-C418 WeakPolarHBondContact SD-CB 3.42Å; F410-C418 HydrophobicContact CE1-CB 3.79Å; F410-C418 WeakPolarHBondContact CE1-SG 3.26Å; F410-C418 HydrophobicContact CZ-CB 4.09Å; F410-C418 WeakPolarHBondContact CZ-SG 3.37Å; L416-C418 PolarHBondContact O-N 3.35Å; C418-I426 HydrophobicContact CB-CG2 4.14Å; C418-M427 CarbonylContact C-O 3.56Å; C418-M427 WeakPolarHBondContact CA-O 3.47Å
419	K	98.5	Very high	97.8	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	127.7	163	-175.4	77.8	-156.7	73.6	0	109.8	S224 S225 P228 L271 M398 G402 I426 M427	S224-K419 WeakPolarHBondContact O-CE 3.42Å; S224-K419 WeakPolarHBondContact O-CG 3.49Å; S225-K419 PolarHBondContact OG-O 3.14Å; P228-K419 HydrophobicContact CG-CB 3.58Å; P228-K419 HydrophobicContact CG-CD 4.01Å; P228-K419 HydrophobicContact CG-CG 3.65Å; L271-K419 HydrophobicContact CB-CD 4.23Å; L271-K419 HydrophobicContact CD1-CD 4.08Å; L271-K419 HydrophobicContact CD2-CD 4.37Å; L271-K419 HydrophobicContact CG-CD 4.45Å; M398-K419 HydrophobicContact CE-CB 4.27Å; G402-K419 WeakPolarHBondContact O-CA 3.24Å; G402-K419 VanDerWaalsContact O-CD 3.31Å; G402-K419 WeakPolarHBondContact O-CD 3.42Å; G402-K419 PolarHBondContact O-NZ 3.43Å; K419-I426 WeakPolarHBondContact O-CA 3.38Å; K419-M427 PolarHBondContact N-O 2.9Å; K419-M427 PolarHBondContact O-N 2.95Å
420	S	98.1	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.8	172.6	-169.2	0	0	0	0	112.9	G402 Y404 I425 N448	G402-S420 PolarHBondContact O-N 2.98Å; Y404-S420 PolarHBondContact OH-O 3.48Å; S420-I425 CarbonylContact C-O 3.55Å; S420-I425 VanDerWaalsContact CA-O 3.29Å; S420-I425 WeakPolarHBondContact CA-O 3.25Å; S420-I425 PolarHBondContact OG-O 3.22Å; S420-N448 WeakPolarHBondContact CB-OD1 3.4Å
421	G	97.3	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.			trans	-121.7	147.7	168.4	0	0	0	0	0	111	S225 S423 G424 I425	S225-G421 PolarHBondContact OG-N 2.85Å; G421-S423 PolarHBondContact O-N 3.02Å; G421-S423 VanDerWaalsContact O-N 3.14Å; G421-G424 PolarHBondContact O-N 3.42Å; G421-I425 PolarHBondContact N-O 2.91Å
422	V	96.8	Very high	97.9	Very high	29 Å²	29	22.6 Å²	22.6	18%	0.176	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.9	179.6	-66.4	0	0	0	0	113.9	A185 Y187 L191 Q223 G424	A185-V422 WeakPolarHBondContact CB-O 3.34Å; Y187-V422 HydrophobicContact CE1-CB 4.48Å; Y187-V422 HydrophobicContact CE1-CG2 4.26Å; Y187-V422 WeakPolarHBondContact OH-CG2 3.49Å; L191-V422 HydrophobicContact CD1-CG2 4.25Å; Q223-V422 HydrophobicContact CB-CG2 4.1Å; Q223-V422 HydrophobicContact CG-CG2 3.96Å; V422-G424 PolarHBondContact O-N 3.4Å
423	S	97.4	Very high	98	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5	167.8	53.2	0	0	0	0	113.6	T221 G421 I425 W439	T221-S423 VanDerWaalsContact O-CB 3.23Å; T221-S423 WeakPolarHBondContact O-CB 3.43Å; T221-S423 PolarHBondContact O-OG 2.87Å; G421-S423 PolarHBondContact O-N 3.02Å; G421-S423 VanDerWaalsContact O-N 3.14Å; S423-I425 WeakPolarHBondContact OG-CG2 3.25Å; S423-W439 PolarHBondContact O-NE1 2.96Å
424	G	98.2	Very high	98.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	94.1	5.1	-178.7	0	0	0	0	0	114.4	G421 V422 W439 S440 S449	G421-G424 PolarHBondContact O-N 3.42Å; V422-G424 PolarHBondContact O-N 3.4Å; G424-W439 WeakPolarHBondContact O-CA 3.43Å; G424-S440 WeakPolarHBondContact CA-O 3.44Å; G424-S440 PolarHBondContact O-N 2.82Å; G424-S449 WeakPolarHBondContact O-CB 3.49Å; G424-S449 PolarHBondContact O-OG 3.27Å
425	I	98.6	Very high	98.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.7	174.5	-178.4	169	0	0	0	110.8	F220 S225 V360 A365 S420 G421 S423 A437 V438	F220-I425 HydrophobicContact CD2-CB 4.48Å; F220-I425 HydrophobicContact CE2-CB 3.66Å; F220-I425 HydrophobicContact CE2-CD1 3.59Å; F220-I425 HydrophobicContact CE2-CG1 4.05Å; F220-I425 HydrophobicContact CE2-CG2 4.2Å; F220-I425 HydrophobicContact CZ-CB 4.25Å; F220-I425 HydrophobicContact CZ-CD1 3.85Å; F220-I425 HydrophobicContact CZ-CG1 4.31Å; S225-I425 WeakPolarHBondContact OG-CG2 3.49Å; V360-I425 HydrophobicContact CG2-CD1 4.42Å; A365-I425 HydrophobicContact CB-CD1 3.72Å; S420-I425 CarbonylContact C-O 3.55Å; S420-I425 VanDerWaalsContact CA-O 3.29Å; S420-I425 WeakPolarHBondContact CA-O 3.25Å; S420-I425 PolarHBondContact OG-O 3.22Å; G421-I425 PolarHBondContact N-O 2.91Å; S423-I425 WeakPolarHBondContact OG-CG2 3.25Å; I425-A437 HydrophobicContact CD1-CB 4.41Å; I425-V438 CarbonylContact C-O 3.55Å; I425-V438 WeakPolarHBondContact CA-O 3.37Å
426	I	98.8	Very high	98.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116.8	159.1	-51.7	177.7	0	0	0	108	M403 C418 K419 V428 A437 V438 G452 I453	M403-I426 HydrophobicContact CE-CD1 3.85Å; M403-I426 HydrophobicContact CE-CG1 4.22Å; M403-I426 HydrophobicContact CE-CG2 3.81Å; M403-I426 HydrophobicContact SD-CG2 4.19Å; C418-I426 HydrophobicContact CB-CG2 4.14Å; K419-I426 WeakPolarHBondContact O-CA 3.38Å; I426-V428 HydrophobicContact CB-CG2 4.47Å; I426-V428 HydrophobicContact CG2-CG2 3.72Å; I426-A437 WeakPolarHBondContact O-CA 3.35Å; I426-V438 HydrophobicContact CB-CG2 3.76Å; I426-V438 HydrophobicContact CD1-CG2 4.47Å; I426-V438 HydrophobicContact CG1-CG2 4.34Å; I426-V438 PolarHBondContact N-O 3.26Å; I426-V438 PolarHBondContact O-N 3.33Å; I426-V438 VanDerWaalsContact O-N 3.08Å; I426-G452 VanDerWaalsContact CD1-C 3.48Å; I426-I453 HydrophobicContact CD1-CD1 4.02Å; I426-I453 HydrophobicContact CD1-CG1 4.1Å
427	M	98.7	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.2	168.5	-173.3	177	-74.4	0	0	108.3	I229 A365 M368 A369 C418 K419	I229-M427 HydrophobicContact CD1-CE 3.99Å; A365-M427 HydrophobicContact CB-CE 4.34Å; M368-M427 HydrophobicContact CB-CE 4.19Å; A369-M427 HydrophobicContact CB-CG 3.73Å; A369-M427 HydrophobicContact CB-SD 4.3Å; C418-M427 CarbonylContact C-O 3.56Å; C418-M427 WeakPolarHBondContact CA-O 3.47Å; K419-M427 PolarHBondContact N-O 2.9Å; K419-M427 PolarHBondContact O-N 2.95Å
428	V	98.7	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	-174	177.7	0	0	0	0	108.6	L416 I426 G435 L436	L416-V428 HydrophobicContact CB-CG1 4.43Å; L416-V428 HydrophobicContact CD1-CG1 3.98Å; I426-V428 HydrophobicContact CB-CG2 4.47Å; I426-V428 HydrophobicContact CG2-CG2 3.72Å; V428-G435 WeakPolarHBondContact O-CA 3.26Å; V428-L436 HydrophobicContact CB-CD1 3.67Å; V428-L436 HydrophobicContact CB-CD2 4.48Å; V428-L436 HydrophobicContact CB-CG 3.75Å; V428-L436 HydrophobicContact CG1-CD1 4.27Å; V428-L436 HydrophobicContact CG1-CD2 4.31Å; V428-L436 HydrophobicContact CG1-CG 4.1Å; V428-L436 HydrophobicContact CG2-CD1 3.76Å; V428-L436 HydrophobicContact CG2-CG 4.4Å; V428-L436 PolarHBondContact N-O 3.07Å; V428-L436 PolarHBondContact O-N 3.04Å; V428-L436 VanDerWaalsContact O-O 3.14Å
429	V	98.8	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.7	179.4	-178.6	0	0	0	0	109.9	A369 L372 A373 L395 M398 P417	A369-V429 HydrophobicContact CB-CG2 4.06Å; L372-V429 HydrophobicContact CB-CG2 4.18Å; L372-V429 HydrophobicContact CD1-CG2 4.44Å; A373-V429 HydrophobicContact CB-CG1 3.74Å; L395-V429 HydrophobicContact CD1-CG1 4.33Å; L395-V429 HydrophobicContact CD2-CB 3.61Å; L395-V429 HydrophobicContact CD2-CG1 3.46Å; L395-V429 VanDerWaalsContact CD2-CG1 3.46Å; L395-V429 HydrophobicContact CD2-CG2 3.86Å; M398-V429 HydrophobicContact CE-CG2 4.11Å; P417-V429 HydrophobicContact CB-CB 4.41Å; P417-V429 WeakPolarHBondContact CD-O 3.44Å; P417-V429 PolarHBondContact O-N 3.48Å
430	V	98.4	Very high	98.2	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.012	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	102.9	165.3	-173.4	0	0	0	0	107.7	L416 N432 L433 L434 L465	L416-V430 HydrophobicContact CD1-CG2 4.26Å; L416-V430 HydrophobicContact CD2-CG2 3.99Å; V430-N432 PolarHBondContact O-N 3.3Å; V430-L433 HydrophobicContact CB-CB 4.18Å; V430-L433 HydrophobicContact CG1-CB 3.81Å; V430-L433 HydrophobicContact CG1-CD2 4Å; V430-L433 PolarHBondContact O-N 3.04Å; V430-L434 WeakPolarHBondContact CA-O 3.26Å; V430-L434 HydrophobicContact CB-CD1 4.31Å; V430-L434 HydrophobicContact CB-CG 4.24Å; V430-L434 HydrophobicContact CG2-CD1 3.87Å; V430-L434 HydrophobicContact CG2-CG 4.22Å; V430-L434 PolarHBondContact N-O 3.31Å; V430-L434 PolarHBondContact O-N 3.5Å; V430-L434 VanDerWaalsContact O-N 3.12Å; V430-L434 VanDerWaalsContact O-O 3.09Å; V430-L465 HydrophobicContact CG1-CD2 3.9Å
431	P	97.8	Very high	98.2	Very high	36 Å²	36	9.5 Å²	9.5	23%	0.234	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	134.6	-175.1	-25.9	33.8	0	0	0	112.7	L395 P417 L433	L395-P431 HydrophobicContact CD1-CG 4.28Å; P417-P431 HydrophobicContact CG-CG 4.32Å; P431-L433 PolarHBondContact O-N 3.18Å
432	N	96.8	Very high	98.3	Very high	117 Å²	117	9.9 Å²	9.9	63%	0.626	6%	0.057	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	13.7	-177.3	-50.5	-65.4	0	0	0	116	A373 V430	A373-N432 WeakPolarHBondContact O-CA 3.39Å; A373-N432 PolarHBondContact O-N 3.14Å; V430-N432 PolarHBondContact O-N 3.3Å
433	L	97.9	Very high	98.4	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-63.9	178.4	-173.1	66.2	0	0	0	112.3	C158 I159 T205 V206 V430 P431 L465 P480 R481	C158-L433 HydrophobicContact CB-CD1 4.15Å; I159-L433 HydrophobicContact CD1-CD1 4.12Å; I159-L433 HydrophobicContact CD1-CG 4.34Å; I159-L433 HydrophobicContact CG1-CD1 3.7Å; I159-L433 HydrophobicContact CG1-CG 4.45Å; T205-L433 CarbonylContact C-O 3.56Å; T205-L433 VanDerWaalsContact CA-O 3.31Å; T205-L433 WeakPolarHBondContact CA-O 3.28Å; T205-L433 WeakPolarHBondContact CB-O 3.27Å; V206-L433 PolarHBondContact N-O 3.39Å; V430-L433 HydrophobicContact CB-CB 4.18Å; V430-L433 HydrophobicContact CG1-CB 3.81Å; V430-L433 HydrophobicContact CG1-CD2 4Å; V430-L433 PolarHBondContact O-N 3.04Å; P431-L433 PolarHBondContact O-N 3.18Å; L433-L465 HydrophobicContact CD2-CD2 3.53Å; L433-P480 HydrophobicContact CD2-CG 3.89Å; L433-R481 HydrophobicContact CD1-CG 3.84Å
434	L	98.5	Very high	98.3	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	160.2	-175	62.4	83.8	0	0	0	112.4	I159 F165 C204 T205 A373 V430 L436	I159-L434 HydrophobicContact CD1-CD2 4.01Å; F165-L434 HydrophobicContact CE1-CD2 4.26Å; F165-L434 HydrophobicContact CZ-CD2 3.77Å; C204-L434 WeakPolarHBondContact O-CA 3.15Å; T205-L434 HydrophobicContact CG2-CB 4.1Å; A373-L434 WeakPolarHBondContact CB-O 3.46Å; V430-L434 WeakPolarHBondContact CA-O 3.26Å; V430-L434 HydrophobicContact CB-CD1 4.31Å; V430-L434 HydrophobicContact CB-CG 4.24Å; V430-L434 HydrophobicContact CG2-CD1 3.87Å; V430-L434 HydrophobicContact CG2-CG 4.22Å; V430-L434 PolarHBondContact N-O 3.31Å; V430-L434 PolarHBondContact O-N 3.5Å; V430-L434 VanDerWaalsContact O-N 3.12Å; V430-L434 VanDerWaalsContact O-O 3.09Å; L434-L436 HydrophobicContact CD1-CB 4.34Å; L434-L436 HydrophobicContact CD1-CD2 3.81Å; L434-L436 HydrophobicContact CD1-CG 4.36Å
435	G	98.7	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.6	158.8	0	0	0	0	0	110.5	L203 C204 V428	L203-G435 CarbonylContact C-O 3.43Å; L203-G435 VanDerWaalsContact CA-O 3.31Å; L203-G435 WeakPolarHBondContact CA-O 3.44Å; C204-G435 PolarHBondContact N-O 3.13Å; C204-G435 PolarHBondContact O-N 3.43Å; V428-G435 WeakPolarHBondContact O-CA 3.26Å
436	L	98.3	Very high	97.9	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.1	174.8	69.6	89.8	0	0	0	111	S202 L203 V428 L434 V438 F455 L459	S202-L436 CarbonylContact O-C 3.57Å; S202-L436 WeakPolarHBondContact O-CA 3.3Å; S202-L436 WeakPolarHBondContact O-CB 3.15Å; L203-L436 HydrophobicContact CB-CB 3.56Å; V428-L436 HydrophobicContact CB-CD1 3.67Å; V428-L436 HydrophobicContact CB-CD2 4.48Å; V428-L436 HydrophobicContact CB-CG 3.75Å; V428-L436 HydrophobicContact CG1-CD1 4.27Å; V428-L436 HydrophobicContact CG1-CD2 4.31Å; V428-L436 HydrophobicContact CG1-CG 4.1Å; V428-L436 HydrophobicContact CG2-CD1 3.76Å; V428-L436 HydrophobicContact CG2-CG 4.4Å; V428-L436 PolarHBondContact N-O 3.07Å; V428-L436 PolarHBondContact O-N 3.04Å; V428-L436 VanDerWaalsContact O-O 3.14Å; L434-L436 HydrophobicContact CD1-CB 4.34Å; L434-L436 HydrophobicContact CD1-CD2 3.81Å; L434-L436 HydrophobicContact CD1-CG 4.36Å; L436-V438 HydrophobicContact CD1-CG1 3.85Å; L436-F455 HydrophobicContact CD1-CE1 4.25Å; L436-F455 HydrophobicContact CD2-CE1 4.3Å; L436-L459 HydrophobicContact CD2-CD2 3.95Å
437	A	98.8	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.5	169.4	0	0	0	0	0	108.7	L201 S202 A365 I425 I426	L201-A437 WeakPolarHBondContact CA-O 3.37Å; S202-A437 PolarHBondContact N-O 3.28Å; S202-A437 PolarHBondContact O-N 2.76Å; A365-A437 HydrophobicContact CB-CB 3.55Å; I425-A437 HydrophobicContact CD1-CB 4.41Å; I426-A437 WeakPolarHBondContact O-CA 3.35Å
438	V	98.7	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.7	167.6	-68.1	0	0	0	0	108.9	W199 G200 L201 I425 I426 L436 F455	W199-V438 HydrophobicContact CH2-CB 3.87Å; W199-V438 HydrophobicContact CH2-CG1 4.06Å; W199-V438 HydrophobicContact CZ3-CB 3.95Å; G200-V438 WeakPolarHBondContact O-CA 3.47Å; L201-V438 HydrophobicContact CB-CG1 4.33Å; L201-V438 HydrophobicContact CD1-CG1 3.78Å; L201-V438 HydrophobicContact CG-CG1 4.11Å; I425-V438 CarbonylContact C-O 3.55Å; I425-V438 WeakPolarHBondContact CA-O 3.37Å; I426-V438 HydrophobicContact CB-CG2 3.76Å; I426-V438 HydrophobicContact CD1-CG2 4.47Å; I426-V438 HydrophobicContact CG1-CG2 4.34Å; I426-V438 PolarHBondContact N-O 3.26Å; I426-V438 PolarHBondContact O-N 3.33Å; I426-V438 VanDerWaalsContact O-N 3.08Å; L436-V438 HydrophobicContact CD1-CG1 3.85Å; V438-F455 HydrophobicContact CG1-CD1 3.76Å; V438-F455 HydrophobicContact CG1-CE1 4.13Å; V438-F455 HydrophobicContact CG1-CG 4.08Å
439	W	98.7	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	118.1	-177.5	177.8	62.3	0	0	0	111.2	M194 Y198 W199 G200 D215 I218 F220 C362 S423 G424 P441	M194-W439 HydrophobicContact SD-CZ2 4.34Å; Y198-W439 AromaticContact CD2-CH2 3.4Å; Y198-W439 HydrophobicContact CD2-CH2 3.4Å; Y198-W439 HydrophobicContact CD2-CZ2 4.21Å; Y198-W439 AromaticContact CD2-CZ3 3.98Å; Y198-W439 HydrophobicContact CD2-CZ3 3.98Å; Y198-W439 HydrophobicContact CE2-CH2 4.18Å; Y198-W439 AromaticContact CG-CH2 3.86Å; Y198-W439 HydrophobicContact CG-CH2 3.86Å; Y198-W439 AromaticContact CG-CZ3 3.95Å; Y198-W439 HydrophobicContact CG-CZ3 3.95Å; W199-W439 WeakPolarHBondContact CA-O 3.49Å; W199-W439 VanDerWaalsContact CE3-O 3.28Å; G200-W439 PolarHBondContact N-O 3Å; G200-W439 PolarHBondContact O-N 3.3Å; D215-W439 HydrophobicContact CB-CZ3 4.21Å; I218-W439 HydrophobicContact CB-CH2 4.23Å; I218-W439 HydrophobicContact CB-CZ3 3.88Å; I218-W439 HydrophobicContact CG2-CH2 3.83Å; I218-W439 HydrophobicContact CG2-CZ3 4.01Å; F220-W439 HydrophobicContact CB-CH2 4.49Å; F220-W439 HydrophobicContact CB-CZ2 3.73Å; F220-W439 AromaticContact CD1-CD1 3.88Å; F220-W439 AromaticContact CD1-CD2 3.38Å; F220-W439 HydrophobicContact CD1-CD2 3.38Å; F220-W439 AromaticContact CD1-CE2 3.38Å; F220-W439 AromaticContact CD1-CE3 3.81Å; F220-W439 HydrophobicContact CD1-CE3 3.81Å; F220-W439 AromaticContact CD1-CG 3.73Å; F220-W439 HydrophobicContact CD1-CG 3.73Å; F220-W439 HydrophobicContact CD1-CH2 4.15Å; F220-W439 AromaticContact CD1-CZ2 3.8Å; F220-W439 HydrophobicContact CD1-CZ2 3.8Å; F220-W439 HydrophobicContact CD1-CZ3 4.17Å; F220-W439 AromaticContact CD1-NE1 3.71Å; F220-W439 AromaticContact CD2-CD1 3.84Å; F220-W439 HydrophobicContact CD2-CG 4.41Å; F220-W439 AromaticContact CD2-NE1 3.79Å; F220-W439 HydrophobicContact CE1-CB 3.86Å; F220-W439 AromaticContact CE1-CD1 3.86Å; F220-W439 AromaticContact CE1-CD2 3.53Å; F220-W439 HydrophobicContact CE1-CD2 3.53Å; F220-W439 AromaticContact CE1-CE2 4Å; F220-W439 AromaticContact CE1-CE3 3.95Å; F220-W439 HydrophobicContact CE1-CE3 3.95Å; F220-W439 AromaticContact CE1-CG 3.47Å; F220-W439 HydrophobicContact CE1-CG 3.47Å; F220-W439 VanDerWaalsContact CE1-CG 3.47Å; F220-W439 AromaticContact CE2-CD1 3.85Å; F220-W439 HydrophobicContact CE2-CG 4.21Å; F220-W439 AromaticContact CG-CD1 3.88Å; F220-W439 HydrophobicContact CG-CD2 4.01Å; F220-W439 AromaticContact CG-CE2 3.55Å; F220-W439 HydrophobicContact CG-CG 4.21Å; F220-W439 AromaticContact CG-CZ2 3.94Å; F220-W439 HydrophobicContact CG-CZ2 3.94Å; F220-W439 AromaticContact CG-NE1 3.5Å; F220-W439 HydrophobicContact CZ-CB 3.91Å; F220-W439 AromaticContact CZ-CD1 3.85Å; F220-W439 HydrophobicContact CZ-CD2 4.28Å; F220-W439 AromaticContact CZ-CG 3.74Å; F220-W439 HydrophobicContact CZ-CG 3.74Å; C362-W439 WeakPolarHBondContact SG-CB 3.29Å; S423-W439 PolarHBondContact O-NE1 2.96Å; G424-W439 WeakPolarHBondContact O-CA 3.43Å; W439-P441 HydrophobicContact CZ2-CG 3.83Å
440	S	98.7	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.			trans	-144.1	120.1	166.6	-155.8	0	0	0	0	109.4	Y198 G424 P442 S449 R451	Y198-S440 PolarHBondContact O-OG 2.92Å; G424-S440 WeakPolarHBondContact CA-O 3.44Å; G424-S440 PolarHBondContact O-N 2.82Å; S440-P442 VanDerWaalsContact C-CD 3.44Å; S440-S449 WeakPolarHBondContact CB-OG 3.25Å; S440-S449 PolarHBondContact O-OG 2.94Å; S440-R451 PolarHBondContact OG-NH1 3.43Å
441	P	98.5	Very high	97.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.019	12%	0.124	C	C	.	.	S	Bend	trans	-55.3	-35	-176.4	-28	35.5	0	0	0	116.2	V184 M194 W439 I443	V184-P441 HydrophobicContact CG1-CB 4.27Å; V184-P441 HydrophobicContact CG2-CB 4.17Å; M194-P441 HydrophobicContact CB-CB 4.01Å; M194-P441 HydrophobicContact CB-CG 4.03Å; W439-P441 HydrophobicContact CZ2-CG 3.83Å; P441-I443 PolarHBondContact O-N 2.95Å; P441-I443 VanDerWaalsContact O-N 3.14Å
442	P	98.6	Very high	97.7	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.058	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	115.5	176.3	-25	36.2	0	0	0	112.8	Q183 V184 P196 S440 A450	Q183-P442 WeakPolarHBondContact O-CA 3.38Å; V184-P442 HydrophobicContact CG2-CG 4.3Å; P196-P442 HydrophobicContact CB-CG 4Å; P196-P442 WeakPolarHBondContact O-CG 3.21Å; S440-P442 VanDerWaalsContact C-CD 3.44Å; P442-A450 PolarHBondContact O-N 3.32Å
443	I	98.1	Very high	97.7	Very high	27 Å²	27	18.7 Å²	18.7	14%	0.138	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.7	177.5	54.4	169.7	0	0	0	111.4	G182 Q183 A185 P441 N448	G182-I443 CarbonylContact C-O 3.05Å; G182-I443 WeakPolarHBondContact CA-O 3.36Å; Q183-I443 PolarHBondContact N-O 3.27Å; Q183-I443 WeakPolarHBondContact O-CG1 3.37Å; Q183-I443 PolarHBondContact O-N 3.23Å; A185-I443 HydrophobicContact CB-CD1 3.97Å; P441-I443 PolarHBondContact O-N 2.95Å; P441-I443 VanDerWaalsContact O-N 3.14Å; I443-N448 CarbonylContact C-O 3.13Å; I443-N448 VanDerWaalsContact CA-O 3.26Å; I443-N448 WeakPolarHBondContact CA-O 3.49Å
444	D	96.9	Very high	97.8	Very high	44 Å²	44	20.7 Å²	20.7	24%	0.235	10%	0.095	C	C	.	.			trans	-77.2	-178.3	174	73.9	6.7	0	0	0	111.9	H446 G447 N448	D444-H446 PolarHBondContact O-N 2.97Å; D444-H446 VanDerWaalsContact O-N 3.11Å; D444-H446 VanDerWaalsContact OD1-CA 3.31Å; D444-H446 WeakPolarHBondContact OD1-CA 3.42Å; D444-H446 WeakPolarHBondContact OD1-CB 3.18Å; D444-H446 PolarHBondContact OD1-N 2.91Å; D444-G447 PolarHBondContact O-N 3.22Å; D444-G447 PolarHBondContact OD1-N 3.27Å; D444-N448 PolarHBondContact N-O 3.45Å; D444-N448 PolarHBondContact OD1-N 3.43Å
445	R	94.9	Very high	97.8	Very high	225 Å²	225	20.6 Å²	20.6	85%	0.849	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.7	178.2	69.7	-179.6	-177.9	-175.2	-3	114.7
446	H	93.4	Very high	97.8	Very high	39 Å²	39	20.6 Å²	20.6	18%	0.181	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.3	178.1	-60.5	-66.9	0	0	0	112.1	Y404 D444	Y404-H446 WeakPolarHBondContact CB-O 3.47Å; Y404-H446 VanDerWaalsContact CD2-O 3.23Å; Y404-H446 WeakPolarHBondContact CD2-O 3.35Å; D444-H446 PolarHBondContact O-N 2.97Å; D444-H446 VanDerWaalsContact O-N 3.11Å; D444-H446 VanDerWaalsContact OD1-CA 3.31Å; D444-H446 WeakPolarHBondContact OD1-CA 3.42Å; D444-H446 WeakPolarHBondContact OD1-CB 3.18Å; D444-H446 PolarHBondContact OD1-N 2.91Å
447	G	94.4	Very high	97.7	Very high	12 Å²	12	23.7 Å²	23.7	12%	0.124	11%	0.109	C	C	.	.	S	Bend	trans	87.3	9.8	-179	0	0	0	0	0	114.7	Y404 D444	Y404-G447 VanDerWaalsContact CE2-O 3.3Å; Y404-G447 WeakPolarHBondContact CE2-O 3.35Å; D444-G447 PolarHBondContact O-N 3.22Å; D444-G447 PolarHBondContact OD1-N 3.27Å
448	N	97.7	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-97.8	145.5	179.7	-57.9	-66.4	0	0	0	111	M403 Y404 S420 I443 D444 A450 I453	M403-N448 HydrophobicContact CE-CB 4.34Å; M403-N448 WeakPolarHBondContact CE-OD1 3.4Å; M403-N448 PolarHBondContact O-ND2 3.34Å; M403-N448 VanDerWaalsContact O-ND2 3.16Å; Y404-N448 VanDerWaalsContact CD2-OD1 3.29Å; Y404-N448 WeakPolarHBondContact CD2-OD1 3.41Å; S420-N448 WeakPolarHBondContact CB-OD1 3.4Å; I443-N448 CarbonylContact C-O 3.13Å; I443-N448 VanDerWaalsContact CA-O 3.26Å; I443-N448 WeakPolarHBondContact CA-O 3.49Å; D444-N448 PolarHBondContact N-O 3.45Å; D444-N448 PolarHBondContact OD1-N 3.43Å; N448-A450 PolarHBondContact O-N 2.96Å; N448-I453 HydrophobicContact CB-CD1 3.93Å; N448-I453 HydrophobicContact CB-CG1 3.77Å
449	S	98.4	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-58.3	123.8	176.6	-177.7	0	0	0	0	112.1	G424 S440 G452 I453	G424-S449 WeakPolarHBondContact O-CB 3.49Å; G424-S449 PolarHBondContact O-OG 3.27Å; S440-S449 WeakPolarHBondContact CB-OG 3.25Å; S440-S449 PolarHBondContact O-OG 2.94Å; S449-G452 PolarHBondContact O-N 2.89Å; S449-G452 PolarHBondContact OG-N 3.24Å; S449-I453 WeakPolarHBondContact O-CG1 3.33Å; S449-I453 PolarHBondContact O-N 2.92Å
450	A	98.2	Very high	97.5	Very high	10 Å²	10	26.5 Å²	26.5	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-48	-175.5	0	0	0	0	0	112.2	S181 P442 N448 Q454	S181-A450 VanDerWaalsContact O-CB 3.31Å; S181-A450 WeakPolarHBondContact O-CB 3.43Å; S181-A450 WeakPolarHBondContact OG-CB 3.47Å; P442-A450 PolarHBondContact O-N 3.32Å; N448-A450 PolarHBondContact O-N 2.96Å; A450-Q454 PolarHBondContact O-N 3.47Å
451	R	98.4	Very high	97.4	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-40.4	174	-64.8	-169.8	-173.6	132.8	13.5	111.7	C176 K177 N179 N197 Y198 W199 S440 I453 Q454 F455	C176-R451 WeakPolarHBondContact O-CD 3.49Å; C176-R451 WeakPolarHBondContact O-CG 3.45Å; K177-R451 PolarHBondContact O-NE 3.46Å; N179-R451 HydrophobicContact CB-CG 4.26Å; N179-R451 PolarHBondContact O-NE 2.84Å; N179-R451 PolarHBondContact O-NH2 3.36Å; N197-R451 PolarHBondContact O-NH1 3.04Å; Y198-R451 PolarHBondContact O-NH1 2.91Å; W199-R451 HydrophobicContact CD2-CB 4.33Å; W199-R451 HydrophobicContact CE3-CB 3.91Å; W199-R451 HydrophobicContact CH2-CB 3.85Å; W199-R451 HydrophobicContact CZ2-CB 4.26Å; W199-R451 HydrophobicContact CZ3-CB 3.65Å; S440-R451 PolarHBondContact OG-NH1 3.43Å; R451-I453 PolarHBondContact O-N 3.07Å; R451-Q454 PolarHBondContact O-N 2.98Å; R451-F455 WeakPolarHBondContact O-CB 3.35Å; R451-F455 PolarHBondContact O-N 3.02Å
452	G	98.4	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-40.8	-179.2	0	0	0	0	0	112.9	I426 S449 F455 C456	I426-G452 VanDerWaalsContact CD1-C 3.48Å; S449-G452 PolarHBondContact O-N 2.89Å; S449-G452 PolarHBondContact OG-N 3.24Å; G452-F455 PolarHBondContact O-N 3.25Å; G452-C456 PolarHBondContact O-N 2.5Å; G452-C456 VanDerWaalsContact O-N 3.09Å; G452-C456 PolarHBondContact O-SG 3.33Å
453	I	98.3	Very high	97	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-47.3	175.2	-68.9	-65.4	0	0	0	111	M403 Y406 F410 I426 N448 S449 R451 F455 C456 Q457	M403-I453 HydrophobicContact CE-CD1 3.43Å; M403-I453 VanDerWaalsContact CE-CD1 3.43Å; Y406-I453 HydrophobicContact CD1-CD1 4.11Å; Y406-I453 HydrophobicContact CE1-CD1 4.18Å; Y406-I453 HydrophobicContact CE1-CG2 4.11Å; F410-I453 HydrophobicContact CD2-CD1 3.76Å; F410-I453 HydrophobicContact CE2-CD1 3.72Å; I426-I453 HydrophobicContact CD1-CD1 4.02Å; I426-I453 HydrophobicContact CD1-CG1 4.1Å; N448-I453 HydrophobicContact CB-CD1 3.93Å; N448-I453 HydrophobicContact CB-CG1 3.77Å; S449-I453 WeakPolarHBondContact O-CG1 3.33Å; S449-I453 PolarHBondContact O-N 2.92Å; R451-I453 PolarHBondContact O-N 3.07Å; I453-F455 VanDerWaalsContact C-N 3.31Å; I453-F455 PolarHBondContact O-N 3.13Å; I453-C456 PolarHBondContact O-N 3.11Å; I453-Q457 WeakPolarHBondContact O-CG 3.48Å; I453-Q457 PolarHBondContact O-N 3.26Å; I453-Q457 VanDerWaalsContact O-N 3.09Å
454	Q	98.5	Very high	96.8	Very high	43 Å²	43	34.5 Å²	34.5	20%	0.201	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-45.1	176.9	-176.1	-173.2	1.6	0	0	111.1	N179 A450 R451 C456 Q457 E458	N179-Q454 PolarHBondContact ND2-OE1 3.01Å; A450-Q454 PolarHBondContact O-N 3.47Å; R451-Q454 PolarHBondContact O-N 2.98Å; Q454-C456 VanDerWaalsContact C-N 3.31Å; Q454-C456 PolarHBondContact O-N 3.17Å; Q454-Q457 WeakPolarHBondContact O-CB 3.37Å; Q454-Q457 PolarHBondContact O-N 3.01Å; Q454-Q457 VanDerWaalsContact O-N 3.11Å; Q454-E458 HydrophobicContact CG-CG 4.4Å; Q454-E458 WeakPolarHBondContact O-CG 3.49Å; Q454-E458 PolarHBondContact O-N 2.85Å
455	F	98.7	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56	-46.3	177.3	-178.3	-85.7	0	0	0	111.5	I169 V172 F173 C176 W199 L201 L436 V438 R451 G452 I453 Q457 E458 L459	I169-F455 HydrophobicContact CD1-CZ 4.39Å; I169-F455 HydrophobicContact CG2-CE2 4.49Å; I169-F455 HydrophobicContact CG2-CZ 4.21Å; V172-F455 HydrophobicContact CB-CD2 4.33Å; V172-F455 HydrophobicContact CB-CE2 4Å; V172-F455 HydrophobicContact CG1-CD2 3.52Å; V172-F455 HydrophobicContact CG1-CE2 3.63Å; V172-F455 HydrophobicContact CG1-CG 4.22Å; V172-F455 HydrophobicContact CG1-CZ 4.42Å; F173-F455 HydrophobicContact CB-CE2 4.49Å; C176-F455 VanDerWaalsContact SG-CA 3.51Å; W199-F455 HydrophobicContact CH2-CB 4.07Å; W199-F455 HydrophobicContact CH2-CG 4.46Å; W199-F455 HydrophobicContact CZ2-CB 4.28Å; W199-F455 HydrophobicContact CZ2-CD2 4.16Å; W199-F455 HydrophobicContact CZ2-CG 4.48Å; L201-F455 HydrophobicContact CD1-CD1 4.44Å; L201-F455 HydrophobicContact CD1-CD2 4.08Å; L201-F455 HydrophobicContact CD1-CE1 3.75Å; L201-F455 HydrophobicContact CD1-CE2 3.33Å; L201-F455 HydrophobicContact CD1-CZ 3.16Å; L436-F455 HydrophobicContact CD1-CE1 4.25Å; L436-F455 HydrophobicContact CD2-CE1 4.3Å; V438-F455 HydrophobicContact CG1-CD1 3.76Å; V438-F455 HydrophobicContact CG1-CE1 4.13Å; V438-F455 HydrophobicContact CG1-CG 4.08Å; R451-F455 WeakPolarHBondContact O-CB 3.35Å; R451-F455 PolarHBondContact O-N 3.02Å; G452-F455 PolarHBondContact O-N 3.25Å; I453-F455 VanDerWaalsContact C-N 3.31Å; I453-F455 PolarHBondContact O-N 3.13Å; F455-Q457 VanDerWaalsContact C-N 3.32Å; F455-Q457 PolarHBondContact O-N 3.31Å; F455-E458 PolarHBondContact O-N 3.08Å; F455-L459 HydrophobicContact CE1-CB 4.46Å; F455-L459 HydrophobicContact CE1-CD1 4.42Å; F455-L459 HydrophobicContact CE1-CD2 4.28Å; F455-L459 HydrophobicContact CZ-CD1 4.48Å; F455-L459 VanDerWaalsContact O-CB 3.26Å; F455-L459 WeakPolarHBondContact O-CB 3.33Å; F455-L459 PolarHBondContact O-N 3.15Å
456	C	98.6	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-37.7	178.5	-65.6	0	0	0	0	112.6	F410 V414 G452 I453 Q454 V460	F410-C456 HydrophobicContact CE2-CB 3.95Å; F410-C456 HydrophobicContact CZ-CB 3.87Å; V414-C456 HydrophobicContact CG1-CB 4.01Å; V414-C456 HydrophobicContact CG2-CB 4.36Å; G452-C456 PolarHBondContact O-N 2.5Å; G452-C456 VanDerWaalsContact O-N 3.09Å; G452-C456 PolarHBondContact O-SG 3.33Å; I453-C456 PolarHBondContact O-N 3.11Å; Q454-C456 VanDerWaalsContact C-N 3.31Å; Q454-C456 PolarHBondContact O-N 3.17Å; C456-V460 PolarHBondContact O-N 3.39Å
457	Q	98.1	Very high	96.8	Very high	68 Å²	68	27 Å²	27	32%	0.318	13%	0.128	S	C	.	.	H	α-helix	trans	-67.4	-46.4	177.5	-70.8	173.7	-26.3	0	0	111.8	Y406 V414 I453 Q454 F455 L459 V460 H461	Y406-Q457 PolarHBondContact OH-NE2 2.9Å; V414-Q457 HydrophobicContact CG2-CG 3.9Å; I453-Q457 WeakPolarHBondContact O-CG 3.48Å; I453-Q457 PolarHBondContact O-N 3.26Å; I453-Q457 VanDerWaalsContact O-N 3.09Å; Q454-Q457 WeakPolarHBondContact O-CB 3.37Å; Q454-Q457 PolarHBondContact O-N 3.01Å; Q454-Q457 VanDerWaalsContact O-N 3.11Å; F455-Q457 VanDerWaalsContact C-N 3.32Å; F455-Q457 PolarHBondContact O-N 3.31Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 2.97Å; Q457-V460 VanDerWaalsContact O-CG2 3.27Å; Q457-V460 WeakPolarHBondContact O-CG2 3.29Å; Q457-V460 PolarHBondContact O-N 2.92Å; Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 3.17Å
458	E	97.9	Very high	96.7	Very high	48 Å²	48	34.6 Å²	34.6	22%	0.224	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-37.6	176.4	-71.4	-62	145	0	0	111.9	V172 L175 Q454 F455 H461 R462	V172-E458 HydrophobicContact CG1-CB 3.44Å; V172-E458 VanDerWaalsContact CG1-CB 3.44Å; V172-E458 HydrophobicContact CG1-CG 4.28Å; V172-E458 HydrophobicContact CG2-CB 4.28Å; L175-E458 HydrophobicContact CD2-CG 4.04Å; Q454-E458 HydrophobicContact CG-CG 4.4Å; Q454-E458 WeakPolarHBondContact O-CG 3.49Å; Q454-E458 PolarHBondContact O-N 2.85Å; F455-E458 PolarHBondContact O-N 3.08Å; E458-H461 PolarHBondContact O-N 3.44Å; E458-R462 WeakPolarHBondContact O-CG 3.43Å; E458-R462 PolarHBondContact O-N 3.09Å; E458-R462 VanDerWaalsContact O-N 3.08Å; E458-R462 IonicContact OE2-NE 3.74Å
459	L	97.2	Very high	96.4	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-49.4	178.1	-173.2	72	0	0	0	111.4	I169 L416 L436 F455 Q457 H461 R462 F463 L465	I169-L459 HydrophobicContact CD1-CD1 3.43Å; I169-L459 VanDerWaalsContact CD1-CD1 3.43Å; L416-L459 HydrophobicContact CD1-CD2 4.37Å; L436-L459 HydrophobicContact CD2-CD2 3.95Å; F455-L459 HydrophobicContact CE1-CB 4.46Å; F455-L459 HydrophobicContact CE1-CD1 4.42Å; F455-L459 HydrophobicContact CE1-CD2 4.28Å; F455-L459 HydrophobicContact CZ-CD1 4.48Å; F455-L459 VanDerWaalsContact O-CB 3.26Å; F455-L459 WeakPolarHBondContact O-CB 3.33Å; F455-L459 PolarHBondContact O-N 3.15Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 2.97Å; L459-H461 VanDerWaalsContact C-N 3.32Å; L459-R462 PolarHBondContact O-N 3.4Å; L459-F463 HydrophobicContact CD1-CD2 3.78Å; L459-F463 HydrophobicContact CD1-CE2 4.02Å; L459-F463 HydrophobicContact CG-CD2 4.48Å; L459-F463 WeakPolarHBondContact O-CD2 3.36Å; L459-F463 PolarHBondContact O-N 2.72Å; L459-L465 HydrophobicContact CD1-CD1 4.17Å; L459-L465 HydrophobicContact CD2-CD1 3.99Å; L459-L465 HydrophobicContact CG-CD1 3.76Å
460	V	96.4	Very high	95.9	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-77.5	-17.8	179.5	-59.1	0	0	0	0	113.5	V414 L416 C456 Q457 L465 K477	V414-V460 HydrophobicContact CG1-CG1 3.75Å; V414-V460 HydrophobicContact CG1-CG2 4.37Å; V414-V460 WeakPolarHBondContact O-CG1 3.12Å; L416-V460 HydrophobicContact CD1-CG1 3.91Å; L416-V460 HydrophobicContact CG-CG1 4.23Å; C456-V460 PolarHBondContact O-N 3.39Å; Q457-V460 VanDerWaalsContact O-CG2 3.27Å; Q457-V460 WeakPolarHBondContact O-CG2 3.29Å; Q457-V460 PolarHBondContact O-N 2.92Å; V460-L465 HydrophobicContact CG1-CB 4.41Å; V460-K477 WeakPolarHBondContact O-CE 3.38Å; V460-K477 PolarHBondContact O-NZ 3.37Å
461	H	95.3	Very high	95.1	Very high	135 Å²	135	42.6 Å²	42.6	63%	0.625	20%	0.195	S	C	*	.	H	α-helix	trans	-70.9	-38.3	171.7	-173.3	71	0	0	0	110.9	Q457 E458 L459	Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 3.17Å; E458-H461 PolarHBondContact O-N 3.44Å; L459-H461 VanDerWaalsContact C-N 3.32Å
462	R	94.6	Very high	94	Very high	71 Å²	71	49 Å²	49	27%	0.268	23%	0.229	S	C	.	.	H	α-helix	trans	-86.7	-38.5	-178.5	-68.1	176.3	-175.5	-101.2	-6	113.8	E168 V172 E458 L459 K477 I478	E168-R462 IonicContact OE2-NH1 2.71Å; E168-R462 PolarHBondContact OE2-NH1 3.05Å; V172-R462 VanDerWaalsContact CG2-CD 3.43Å; E458-R462 WeakPolarHBondContact O-CG 3.43Å; E458-R462 PolarHBondContact O-N 3.09Å; E458-R462 VanDerWaalsContact O-N 3.08Å; E458-R462 IonicContact OE2-NE 3.74Å; L459-R462 PolarHBondContact O-N 3.4Å; R462-K477 WeakPolarHBondContact O-CA 3.19Å; R462-I478 PolarHBondContact O-N 3.02Å
463	F	95.2	Very high	92.9	Very high	1 Å²	1	55 Å²	55	0%	0.004	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-114.8	153.1	-173.5	-61	-81.2	0	0	0	113	F165 E168 I169 L459 L465 I478 P480	F165-F463 HydrophobicContact CD2-CD1 4.48Å; F165-F463 AromaticContact CD2-CE1 3.65Å; F165-F463 HydrophobicContact CD2-CE1 3.65Å; F165-F463 HydrophobicContact CD2-CE2 4.46Å; F165-F463 AromaticContact CD2-CZ 3.61Å; F165-F463 HydrophobicContact CD2-CZ 3.61Å; F165-F463 HydrophobicContact CE2-CD1 4.48Å; F165-F463 AromaticContact CE2-CE1 3.96Å; F165-F463 HydrophobicContact CE2-CE1 3.96Å; F165-F463 HydrophobicContact CE2-CE2 4.15Å; F165-F463 AromaticContact CE2-CZ 3.75Å; F165-F463 HydrophobicContact CE2-CZ 3.75Å; E168-F463 HydrophobicContact CB-CE2 4.25Å; E168-F463 HydrophobicContact CB-CZ 3.62Å; E168-F463 HydrophobicContact CG-CZ 4.3Å; I169-F463 HydrophobicContact CD1-CE2 4.06Å; L459-F463 HydrophobicContact CD1-CD2 3.78Å; L459-F463 HydrophobicContact CD1-CE2 4.02Å; L459-F463 HydrophobicContact CG-CD2 4.48Å; L459-F463 WeakPolarHBondContact O-CD2 3.36Å; L459-F463 PolarHBondContact O-N 2.72Å; F463-L465 VanDerWaalsContact C-N 3.25Å; F463-L465 HydrophobicContact CB-CD1 3.57Å; F463-L465 HydrophobicContact CB-CD2 4.47Å; F463-L465 HydrophobicContact CB-CG 3.59Å; F463-L465 HydrophobicContact CD2-CD1 4.4Å; F463-L465 HydrophobicContact CG-CD1 4.24Å; F463-L465 PolarHBondContact O-N 3.27Å; F463-I478 VanDerWaalsContact CA-O 3.25Å; F463-I478 WeakPolarHBondContact CA-O 3.5Å; F463-I478 HydrophobicContact CD1-CB 3.72Å; F463-I478 HydrophobicContact CD1-CG2 3.92Å; F463-I478 HydrophobicContact CE1-CB 3.98Å; F463-I478 HydrophobicContact CE1-CD1 4.39Å; F463-I478 HydrophobicContact CE1-CG2 3.88Å; F463-P480 HydrophobicContact CD1-CB 4.32Å; F463-P480 HydrophobicContact CD1-CG 4.27Å; F463-P480 HydrophobicContact CE1-CB 4.47Å
464	I	94.1	Very high	91.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-77.9	76.4	173.5	-51.1	173.4	0	0	0	109.7	E469 Y474 K477 I478 D479	I464-E469 HydrophobicContact CB-CG 4.35Å; I464-E469 HydrophobicContact CG2-CB 3.9Å; I464-E469 HydrophobicContact CG2-CG 3.52Å; I464-Y474 HydrophobicContact CD1-CD1 3.31Å; I464-Y474 HydrophobicContact CD1-CD2 3.41Å; I464-Y474 VanDerWaalsContact CD1-CD2 3.41Å; I464-Y474 HydrophobicContact CD1-CE1 3.35Å; I464-Y474 HydrophobicContact CD1-CE2 3.48Å; I464-Y474 VanDerWaalsContact CD1-CE2 3.48Å; I464-Y474 HydrophobicContact CD1-CG 3.32Å; I464-Y474 VanDerWaalsContact CD1-CZ 3.42Å; I464-Y474 HydrophobicContact CG1-CD1 4.39Å; I464-Y474 HydrophobicContact CG1-CD2 4.04Å; I464-Y474 HydrophobicContact CG1-CE2 4.43Å; I464-Y474 HydrophobicContact CG1-CG 4.01Å; I464-K477 HydrophobicContact CG1-CB 3.72Å; I464-I478 PolarHBondContact N-O 3.24Å; I464-D479 HydrophobicContact CD1-CB 3.76Å
465	L	95.5	Very high	90.4	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	29%	0.293	C	S	.	.			trans	-123.7	-20.3	-176	-59.8	174.7	0	0	0	113.7	L416 V430 L433 L459 V460 F463 H467 P480	L416-L465 HydrophobicContact CD2-CB 4.39Å; L416-L465 WeakPolarHBondContact CD2-O 3.49Å; V430-L465 HydrophobicContact CG1-CD2 3.9Å; L433-L465 HydrophobicContact CD2-CD2 3.53Å; L459-L465 HydrophobicContact CD1-CD1 4.17Å; L459-L465 HydrophobicContact CD2-CD1 3.99Å; L459-L465 HydrophobicContact CG-CD1 3.76Å; V460-L465 HydrophobicContact CG1-CB 4.41Å; F463-L465 VanDerWaalsContact C-N 3.25Å; F463-L465 HydrophobicContact CB-CD1 3.57Å; F463-L465 HydrophobicContact CB-CD2 4.47Å; F463-L465 HydrophobicContact CB-CG 3.59Å; F463-L465 HydrophobicContact CD2-CD1 4.4Å; F463-L465 HydrophobicContact CG-CD1 4.24Å; F463-L465 PolarHBondContact O-N 3.27Å; L465-H467 PolarHBondContact O-N 3.09Å; L465-P480 HydrophobicContact CD2-CG 4.17Å
466	H	95.9	Very high	89.6	Confident	32 Å²	32	72.5 Å²	72.5	15%	0.148	34%	0.337	C	S	.	.	S	Bend	trans	-56.4	134.4	176.2	-175.7	-74.9	0	0	0	109.7	F412 V414 Y468 E469	F412-H466 PolarHBondContact O-NE2 3.28Å; V414-H466 PolarHBondContact O-CD2 3Å; H466-Y468 AromaticContact CE1-CD2 3.9Å; H466-Y468 PolarHBondContact ND1-N 3.14Å; H466-Y468 PolarHBondContact O-N 3.27Å; H466-Y468 VanDerWaalsContact O-N 3.07Å; H466-E469 HydrophobicContact CB-CB 4.12Å; H466-E469 VanDerWaalsContact O-CB 3.22Å; H466-E469 WeakPolarHBondContact O-CB 3.37Å; H466-E469 PolarHBondContact O-N 2.96Å
467	H	93.1	Very high	89.2	Confident	112 Å²	112	74.7 Å²	74.7	52%	0.519	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32	-169.8	-175.9	77.8	0	0	0	114.1	G415 L465	G415-H467 WeakPolarHBondContact O-CB 3.41Å; G415-H467 PolarHBondContact O-N 3.34Å; L465-H467 PolarHBondContact O-N 3.09Å
468	Y	93.6	Very high	88.8	Confident	171 Å²	171	74 Å²	74	67%	0.671	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	11.3	177.5	-58.1	-63.4	0	0	0	114.4	H466	H466-Y468 AromaticContact CE1-CD2 3.9Å; H466-Y468 PolarHBondContact ND1-N 3.14Å; H466-Y468 PolarHBondContact O-N 3.27Å; H466-Y468 VanDerWaalsContact O-N 3.07Å
469	E	90.4	Very high	88.5	Confident	53 Å²	53	72.2 Å²	72.2	25%	0.248	34%	0.337	C	S	.	.			trans	-72.1	140.7	176.6	-159.8	71.9	-110.6	0	0	111	I464 H466 K477	I464-E469 HydrophobicContact CB-CG 4.35Å; I464-E469 HydrophobicContact CG2-CB 3.9Å; I464-E469 HydrophobicContact CG2-CG 3.52Å; H466-E469 HydrophobicContact CB-CB 4.12Å; H466-E469 VanDerWaalsContact O-CB 3.22Å; H466-E469 WeakPolarHBondContact O-CB 3.37Å; H466-E469 PolarHBondContact O-N 2.96Å; E469-K477 IonicContact OE2-NZ 3.98Å; E469-K477 PolarHBondContact OE2-NZ 3.49Å
470	S	86.9	Confident	88.3	Confident	44 Å²	44	72.5 Å²	72.5	31%	0.308	34%	0.339	S	S	.	.			trans	-79.6	131.6	177.4	177	0	0	0	0	111.4	L472 H473 Y474	S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact OG-N 3.44Å; S470-L472 VanDerWaalsContact OG-N 3.17Å; S470-H473 WeakPolarHBondContact CB-O 3.32Å; S470-H473 PolarHBondContact OG-N 2.99Å; S470-Y474 WeakPolarHBondContact O-CD1 3.43Å
471	H	82.6	Confident	88	Confident	81 Å²	81	76.3 Å²	76.3	38%	0.375	35%	0.352	S	S	.	.	S	Bend	trans	-80.6	-7.2	170.6	-65.6	-54.7	0	0	0	113.8	R481	H471-R481 PolarHBondContact CE1-NH1 3.25Å; H471-R481 PolarHBondContact NE2-NH1 3.44Å
472	L	75.2	Confident	87.4	Confident	140 Å²	140	73.9 Å²	73.9	73%	0.733	34%	0.34	S	S	*	.	S	Bend	trans	-104	-34.9	-177.5	-63.4	174	0	0	0	112.2	S470	S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact OG-N 3.44Å; S470-L472 VanDerWaalsContact OG-N 3.17Å
473	H	74.4	Confident	86.4	Confident	125 Å²	125	73.3 Å²	73.3	58%	0.579	35%	0.346	S	S	*	.	S	Bend	trans	-137.2	98.8	-171.5	-53.3	-59.4	0	0	0	109.2	S470 H513	S470-H473 WeakPolarHBondContact CB-O 3.32Å; S470-H473 PolarHBondContact OG-N 2.99Å; H473-H513 AromaticContact CE1-NE2 3.98Å
474	Y	73.6	Confident	84.9	Confident	58 Å²	58	79.8 Å²	79.8	23%	0.227	37%	0.37	C	S	.	.			trans	-143.5	144.2	-177.7	53.6	-92.4	0	0	0	110.9	I464 S470 K476 K477	I464-Y474 HydrophobicContact CD1-CD1 3.31Å; I464-Y474 HydrophobicContact CD1-CD2 3.41Å; I464-Y474 VanDerWaalsContact CD1-CD2 3.41Å; I464-Y474 HydrophobicContact CD1-CE1 3.35Å; I464-Y474 HydrophobicContact CD1-CE2 3.48Å; I464-Y474 VanDerWaalsContact CD1-CE2 3.48Å; I464-Y474 HydrophobicContact CD1-CG 3.32Å; I464-Y474 VanDerWaalsContact CD1-CZ 3.42Å; I464-Y474 HydrophobicContact CG1-CD1 4.39Å; I464-Y474 HydrophobicContact CG1-CD2 4.04Å; I464-Y474 HydrophobicContact CG1-CE2 4.43Å; I464-Y474 HydrophobicContact CG1-CG 4.01Å; S470-Y474 WeakPolarHBondContact O-CD1 3.43Å; Y474-K476 PolarHBondContact O-N 3.12Å; Y474-K477 HydrophobicContact CD2-CB 4.38Å; Y474-K477 WeakPolarHBondContact CD2-O 3.18Å; Y474-K477 WeakPolarHBondContact CE2-O 3.25Å
475	D	71.8	Confident	83.4	Confident	151 Å²	151	85 Å²	85	81%	0.807	40%	0.398	S	S	*	.	S	Bend	trans	-89.3	107	-176.9	-72.1	-29.8	0	0	0	111	K477	D475-K477 WeakPolarHBondContact O-CG 3.48Å; D475-K477 PolarHBondContact O-N 3.48Å
476	K	81.4	Confident	81.8	Confident	215 Å²	215	85.7 Å²	85.7	94%	0.935	40%	0.403	S	S	*	.	S	Bend	trans	56.6	-0.1	168.2	-58.5	179.3	-179.1	176.4	0	116.9	Y474	Y474-K476 PolarHBondContact O-N 3.12Å
477	K	89.5	Confident	80.1	Confident	47 Å²	47	90.1 Å²	90.1	20%	0.204	42%	0.42	C	S	.	.			trans	-72.8	154	176.9	-62.8	-168.7	-174.4	-176.8	0	111.7	V460 R462 I464 E469 Y474 D475	V460-K477 WeakPolarHBondContact O-CE 3.38Å; V460-K477 PolarHBondContact O-NZ 3.37Å; R462-K477 WeakPolarHBondContact O-CA 3.19Å; I464-K477 HydrophobicContact CG1-CB 3.72Å; E469-K477 IonicContact OE2-NZ 3.98Å; E469-K477 PolarHBondContact OE2-NZ 3.49Å; Y474-K477 HydrophobicContact CD2-CB 4.38Å; Y474-K477 WeakPolarHBondContact CD2-O 3.18Å; Y474-K477 WeakPolarHBondContact CE2-O 3.25Å; D475-K477 WeakPolarHBondContact O-CG 3.48Å; D475-K477 PolarHBondContact O-N 3.48Å
478	I	90	Very high	78.8	Confident	52 Å²	52	94.1 Å²	94.1	27%	0.267	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-90.7	129.2	179	-57.9	169.9	0	0	0	109.2	E168 R462 F463 I464 P480	E168-I478 HydrophobicContact CG-CD1 4.16Å; R462-I478 PolarHBondContact O-N 3.02Å; F463-I478 VanDerWaalsContact CA-O 3.25Å; F463-I478 WeakPolarHBondContact CA-O 3.5Å; F463-I478 HydrophobicContact CD1-CB 3.72Å; F463-I478 HydrophobicContact CD1-CG2 3.92Å; F463-I478 HydrophobicContact CE1-CB 3.98Å; F463-I478 HydrophobicContact CE1-CD1 4.39Å; F463-I478 HydrophobicContact CE1-CG2 3.88Å; I464-I478 PolarHBondContact N-O 3.24Å; I478-P480 WeakPolarHBondContact O-CD 3.48Å
479	D	90.9	Very high	77.6	Confident	12 Å²	12	90.1 Å²	90.1	6%	0.064	42%	0.424	C	S	.	.			trans	-90.6	104.5	165.1	-169.1	-12.6	0	0	0	108.7	I464 R481 K482	I464-D479 HydrophobicContact CD1-CB 3.76Å; D479-R481 PolarHBondContact O-N 2.81Å; D479-R481 VanDerWaalsContact O-N 3.1Å; D479-R481 VanDerWaalsContact OD1-CB 3.27Å; D479-R481 WeakPolarHBondContact OD1-CB 3.25Å; D479-R481 WeakPolarHBondContact OD1-CG 3.43Å; D479-R481 PolarHBondContact OD1-N 3.39Å; D479-K482 HydrophobicContact CB-CB 4.48Å; D479-K482 HydrophobicContact CB-CD 4.38Å; D479-K482 HydrophobicContact CB-CG 4.41Å; D479-K482 PolarHBondContact O-N 2.68Å; D479-K482 VanDerWaalsContact O-N 3.15Å; D479-K482 WeakPolarHBondContact OD2-CE 3.29Å; D479-K482 IonicContact OD2-NZ 3.99Å
480	P	93.2	Very high	76.8	Confident	8 Å²	8	92.5 Å²	92.5	5%	0.052	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.6	-178.2	29.9	-35.3	0	0	0	112.7	I159 F165 L433 F463 L465 I478 K482	I159-P480 WeakPolarHBondContact CA-O 3.3Å; I159-P480 HydrophobicContact CD1-CB 4.23Å; I159-P480 HydrophobicContact CG1-CB 4.27Å; I159-P480 HydrophobicContact CG2-CB 4.4Å; F165-P480 HydrophobicContact CD2-CB 3.85Å; F165-P480 HydrophobicContact CE2-CB 4.14Å; L433-P480 HydrophobicContact CD2-CG 3.89Å; F463-P480 HydrophobicContact CD1-CB 4.32Å; F463-P480 HydrophobicContact CD1-CG 4.27Å; F463-P480 HydrophobicContact CE1-CB 4.47Å; L465-P480 HydrophobicContact CD2-CG 4.17Å; I478-P480 WeakPolarHBondContact O-CD 3.48Å; P480-K482 PolarHBondContact O-N 2.9Å
481	R	91.3	Very high	76.3	Confident	88 Å²	88	91.2 Å²	91.2	33%	0.332	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.3	178.1	-56.8	166.9	-171.9	154.3	3.5	112.7	C158 L433 H471 D479	C158-R481 WeakPolarHBondContact O-CA 3.5Å; L433-R481 HydrophobicContact CD1-CG 3.84Å; H471-R481 PolarHBondContact CE1-NH1 3.25Å; H471-R481 PolarHBondContact NE2-NH1 3.44Å; D479-R481 PolarHBondContact O-N 2.81Å; D479-R481 VanDerWaalsContact O-N 3.1Å; D479-R481 VanDerWaalsContact OD1-CB 3.27Å; D479-R481 WeakPolarHBondContact OD1-CB 3.25Å; D479-R481 WeakPolarHBondContact OD1-CG 3.43Å; D479-R481 PolarHBondContact OD1-N 3.39Å
482	K	83.3	Confident	76.3	Confident	83 Å²	83	88.4 Å²	88.4	36%	0.361	42%	0.419	S	S	.	.	S	Bend	trans	-118	141.2	-178.2	-64.6	-177.4	-171.3	170.2	0	109.8	D479 P480	D479-K482 HydrophobicContact CB-CB 4.48Å; D479-K482 HydrophobicContact CB-CD 4.38Å; D479-K482 HydrophobicContact CB-CG 4.41Å; D479-K482 PolarHBondContact O-N 2.68Å; D479-K482 VanDerWaalsContact O-N 3.15Å; D479-K482 WeakPolarHBondContact OD2-CE 3.29Å; D479-K482 IonicContact OD2-NZ 3.99Å; P480-K482 PolarHBondContact O-N 2.9Å
483	P	72	Confident	76.9	Confident	60 Å²	60	84.2 Å²	84.2	39%	0.39	40%	0.401	S	S	.	.			trans	-57.4	142.4	169.1	-19.9	30.3	0	0	0	110.5	P160 D485 S486	P160-P483 HydrophobicContact CB-CG 4.28Å; P160-P483 HydrophobicContact CG-CG 4.49Å; P483-D485 PolarHBondContact O-N 3.12Å; P483-D485 VanDerWaalsContact O-N 3.08Å; P483-S486 WeakPolarHBondContact O-CB 3.43Å; P483-S486 PolarHBondContact O-N 2.95Å; P483-S486 PolarHBondContact O-OG 2.67Å
484	R	64.2	Low	77.5	Confident	137 Å²	137	81.6 Å²	81.6	52%	0.517	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.6	-171.2	-151.2	177	-178.2	150.6	7.3	113.5	E168	E168-R484 IonicContact OE1-NH2 2.82Å; E168-R484 PolarHBondContact OE1-NH2 3.14Å
485	D	61.6	Low	78.3	Confident	108 Å²	108	78.8 Å²	78.8	58%	0.578	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.2	-179	-65.3	-39.8	0	0	0	114.7	P483 Y487 R488 T489	P483-D485 PolarHBondContact O-N 3.12Å; P483-D485 VanDerWaalsContact O-N 3.08Å; D485-Y487 VanDerWaalsContact C-N 3.26Å; D485-Y487 PolarHBondContact O-N 2.91Å; D485-Y487 VanDerWaalsContact O-N 3.15Å; D485-R488 PolarHBondContact O-N 3.32Å; D485-T489 PolarHBondContact O-N 2.99Å; D485-T489 PolarHBondContact O-OG1 2.81Å
486	S	61.9	Low	79.3	Confident	22 Å²	22	72.5 Å²	72.5	15%	0.154	35%	0.349	C	S	.	.	H	α-helix	trans	-56.4	-39.2	-173.8	59.9	0	0	0	0	112.9	P483 R488 T489 D490	P483-S486 WeakPolarHBondContact O-CB 3.43Å; P483-S486 PolarHBondContact O-N 2.95Å; P483-S486 PolarHBondContact O-OG 2.67Å; S486-R488 PolarHBondContact O-N 3.46Å; S486-T489 PolarHBondContact O-N 3.47Å; S486-D490 WeakPolarHBondContact O-CB 3.44Å; S486-D490 PolarHBondContact O-N 3.33Å
487	Y	61.2	Low	79.8	Confident	126 Å²	126	68.9 Å²	68.9	49%	0.494	33%	0.334	S	S	.	.	H	α-helix	trans	-64.2	-42.9	179.8	-175.2	-95.5	0	0	0	112.2	D485 A491	D485-Y487 VanDerWaalsContact C-N 3.26Å; D485-Y487 PolarHBondContact O-N 2.91Å; D485-Y487 VanDerWaalsContact O-N 3.15Å; Y487-A491 WeakPolarHBondContact O-CB 3.36Å; Y487-A491 PolarHBondContact O-N 3.22Å
488	R	65.7	Low	79.9	Confident	195 Å²	195	66.9 Å²	66.9	74%	0.736	33%	0.326	S	S	*	.	H	α-helix	trans	-65.5	-49.3	176.7	-87.2	-175.3	154.5	155.1	-5	110.1	D485 S486 D490 A491 V492	D485-R488 PolarHBondContact O-N 3.32Å; S486-R488 PolarHBondContact O-N 3.46Å; R488-D490 PolarHBondContact O-N 3.31Å; R488-A491 PolarHBondContact O-N 3.1Å; R488-V492 WeakPolarHBondContact O-CB 3.48Å; R488-V492 WeakPolarHBondContact O-CG2 3.48Å; R488-V492 PolarHBondContact O-N 3.48Å
489	T	68.1	Low	80.1	Confident	87 Å²	87	64.4 Å²	64.4	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-40.5	-177.1	-32.5	0	0	0	0	112.2	D485 S486 S493	D485-T489 PolarHBondContact O-N 2.99Å; D485-T489 PolarHBondContact O-OG1 2.81Å; S486-T489 PolarHBondContact O-N 3.47Å; T489-S493 WeakPolarHBondContact O-CB 3.34Å; T489-S493 PolarHBondContact O-N 3.12Å
490	D	74.8	Confident	80.2	Confident	103 Å²	103	64.7 Å²	64.7	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-69.1	-41.5	177.8	-71	-15.1	0	0	0	111.4	S486 R488 T494	S486-D490 WeakPolarHBondContact O-CB 3.44Å; S486-D490 PolarHBondContact O-N 3.33Å; R488-D490 PolarHBondContact O-N 3.31Å; D490-T494 VanDerWaalsContact O-CB 3.26Å; D490-T494 WeakPolarHBondContact O-CB 3.34Å; D490-T494 PolarHBondContact O-N 3.06Å; D490-T494 PolarHBondContact O-OG1 3.3Å
491	A	76.6	Confident	80.2	Confident	18 Å²	18	70.1 Å²	70.1	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-43.2	176.1	0	0	0	0	0	111.5	Y487 R488 T494 L495 V515	Y487-A491 WeakPolarHBondContact O-CB 3.36Å; Y487-A491 PolarHBondContact O-N 3.22Å; R488-A491 PolarHBondContact O-N 3.1Å; A491-T494 PolarHBondContact O-N 3.13Å; A491-L495 VanDerWaalsContact O-CB 3.28Å; A491-L495 WeakPolarHBondContact O-CB 3.21Å; A491-L495 PolarHBondContact O-N 2.84Å; A491-V515 HydrophobicContact CB-CG1 4.28Å; A491-V515 HydrophobicContact CB-CG2 4.41Å
492	V	82.8	Confident	80.3	Confident	22 Å²	22	68.4 Å²	68.4	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-50.2	175.5	173.1	0	0	0	0	110.4	R488 T494 L495 L496 A519	R488-V492 WeakPolarHBondContact O-CB 3.48Å; R488-V492 WeakPolarHBondContact O-CG2 3.48Å; R488-V492 PolarHBondContact O-N 3.48Å; V492-T494 VanDerWaalsContact C-N 3.33Å; V492-T494 PolarHBondContact O-N 3.17Å; V492-L495 WeakPolarHBondContact O-CB 3.46Å; V492-L495 PolarHBondContact O-N 3.49Å; V492-L495 VanDerWaalsContact O-N 3.12Å; V492-L496 HydrophobicContact CG1-CD1 3.89Å; V492-L496 HydrophobicContact CG1-CG 4.2Å; V492-L496 VanDerWaalsContact O-CG 3.27Å; V492-L496 WeakPolarHBondContact O-CG 3.41Å; V492-L496 PolarHBondContact O-N 3.13Å; V492-A519 HydrophobicContact CG2-CB 3.44Å; V492-A519 VanDerWaalsContact CG2-CB 3.44Å
493	S	85.8	Confident	80.8	Confident	52 Å²	52	67.3 Å²	67.3	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-55.9	-48.2	177	-178.8	0	0	0	0	111.5	T489 L495 L496 F497	T489-S493 WeakPolarHBondContact O-CB 3.34Å; T489-S493 PolarHBondContact O-N 3.12Å; S493-L495 VanDerWaalsContact C-N 3.33Å; S493-L495 PolarHBondContact O-N 3.11Å; S493-L496 PolarHBondContact O-N 2.71Å; S493-F497 VanDerWaalsContact O-CD2 3.29Å; S493-F497 WeakPolarHBondContact O-CD2 3.31Å; S493-F497 PolarHBondContact O-N 3.08Å
494	T	87.6	Confident	81.7	Confident	69 Å²	69	66.6 Å²	66.6	42%	0.423	34%	0.336	S	S	.	.	H	α-helix	trans	-59.7	-43.3	176.8	-57.4	0	0	0	0	111.7	D490 A491 V492 A498 T506	D490-T494 VanDerWaalsContact O-CB 3.26Å; D490-T494 WeakPolarHBondContact O-CB 3.34Å; D490-T494 PolarHBondContact O-N 3.06Å; D490-T494 PolarHBondContact O-OG1 3.3Å; A491-T494 PolarHBondContact O-N 3.13Å; V492-T494 VanDerWaalsContact C-N 3.33Å; V492-T494 PolarHBondContact O-N 3.17Å; T494-A498 VanDerWaalsContact O-CB 3.25Å; T494-A498 WeakPolarHBondContact O-CB 3.13Å; T494-A498 PolarHBondContact O-N 3.5Å; T494-T506 HydrophobicContact CG2-CG2 4Å
495	L	91	Very high	82.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-46.8	176.9	-178.3	75.5	0	0	0	111.4	A491 V492 S493 A498 A499 L507 C510 V515 F517 F543	A491-L495 VanDerWaalsContact O-CB 3.28Å; A491-L495 WeakPolarHBondContact O-CB 3.21Å; A491-L495 PolarHBondContact O-N 2.84Å; V492-L495 WeakPolarHBondContact O-CB 3.46Å; V492-L495 PolarHBondContact O-N 3.49Å; V492-L495 VanDerWaalsContact O-N 3.12Å; S493-L495 VanDerWaalsContact C-N 3.33Å; S493-L495 PolarHBondContact O-N 3.11Å; L495-A498 PolarHBondContact O-N 3.33Å; L495-A499 WeakPolarHBondContact O-CB 3.47Å; L495-A499 PolarHBondContact O-N 2.73Å; L495-L507 HydrophobicContact CD1-CD2 3.8Å; L495-C510 HydrophobicContact CD1-CB 4.09Å; L495-V515 HydrophobicContact CD2-CG1 4.48Å; L495-F517 HydrophobicContact CD1-CD1 4.27Å; L495-F517 HydrophobicContact CD1-CD2 4.05Å; L495-F517 HydrophobicContact CD1-CE1 3.92Å; L495-F517 HydrophobicContact CD1-CE2 3.7Å; L495-F517 HydrophobicContact CD1-CG 4.3Å; L495-F517 HydrophobicContact CD1-CZ 3.61Å; L495-F543 HydrophobicContact CD1-CE1 4.34Å; L495-F543 HydrophobicContact CD1-CZ 3.97Å; L495-F543 HydrophobicContact CD2-CE1 4.33Å; L495-F543 HydrophobicContact CD2-CZ 4.46Å; L495-F543 HydrophobicContact CG-CE1 4.41Å; L495-F543 HydrophobicContact CG-CZ 4.06Å
496	L	91.7	Very high	84.1	Confident	18 Å²	18	59.5 Å²	59.5	9%	0.094	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-42.6	-179.1	-63.4	-180	0	0	0	112	V492 S493 A499 G500 D521 T526 G527 V530	V492-L496 HydrophobicContact CG1-CD1 3.89Å; V492-L496 HydrophobicContact CG1-CG 4.2Å; V492-L496 VanDerWaalsContact O-CG 3.27Å; V492-L496 WeakPolarHBondContact O-CG 3.41Å; V492-L496 PolarHBondContact O-N 3.13Å; S493-L496 PolarHBondContact O-N 2.71Å; L496-A499 WeakPolarHBondContact O-CB 3.46Å; L496-A499 PolarHBondContact O-N 3Å; L496-G500 PolarHBondContact O-N 3.29Å; L496-D521 HydrophobicContact CD1-CB 3.66Å; L496-T526 VanDerWaalsContact CD2-C 3.48Å; L496-G527 VanDerWaalsContact CD2-CA 3.4Å; L496-V530 HydrophobicContact CB-CG2 4.45Å; L496-V530 HydrophobicContact CD2-CG2 4.04Å
497	F	91.8	Very high	85.4	Confident	140 Å²	140	58.5 Å²	58.5	61%	0.614	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-40.2	174.2	-87	-71.6	0	0	0	112.2	S493 A499 G500 N501	S493-F497 VanDerWaalsContact O-CD2 3.29Å; S493-F497 WeakPolarHBondContact O-CD2 3.31Å; S493-F497 PolarHBondContact O-N 3.08Å; F497-A499 VanDerWaalsContact C-N 3.31Å; F497-G500 PolarHBondContact O-N 3.31Å; F497-N501 WeakPolarHBondContact O-CB 3.41Å; F497-N501 PolarHBondContact O-N 3Å; F497-N501 VanDerWaalsContact O-N 3.07Å; F497-N501 PolarHBondContact O-ND2 2.91Å; F497-N501 VanDerWaalsContact O-ND2 3.13Å
498	A	92.6	Very high	86.7	Confident	5 Å²	5	59.3 Å²	59.3	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-38.8	175.3	0	0	0	0	0	111.5	T494 L495 N502 D503 T506 L507	T494-A498 VanDerWaalsContact O-CB 3.25Å; T494-A498 WeakPolarHBondContact O-CB 3.13Å; T494-A498 PolarHBondContact O-N 3.5Å; L495-A498 PolarHBondContact O-N 3.33Å; A498-N502 PolarHBondContact O-N 2.84Å; A498-D503 HydrophobicContact CB-CB 4.47Å; A498-D503 PolarHBondContact O-N 2.9Å; A498-T506 HydrophobicContact CB-CG2 3.7Å; A498-L507 HydrophobicContact CB-CD2 3.83Å; A498-L507 HydrophobicContact CB-CG 4.09Å
499	A	94.7	Very high	87.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-46.1	175.7	0	0	0	0	0	112.1	L495 L496 F497 N502 G527 A531 S536 F543	L495-A499 WeakPolarHBondContact O-CB 3.47Å; L495-A499 PolarHBondContact O-N 2.73Å; L496-A499 WeakPolarHBondContact O-CB 3.46Å; L496-A499 PolarHBondContact O-N 3Å; F497-A499 VanDerWaalsContact C-N 3.31Å; A499-N502 PolarHBondContact O-N 3.47Å; A499-G527 WeakPolarHBondContact CB-O 3.27Å; A499-A531 HydrophobicContact CB-CB 4.27Å; A499-S536 WeakPolarHBondContact O-CB 3.37Å; A499-S536 PolarHBondContact O-OG 3.48Å; A499-F543 HydrophobicContact CB-CE2 3.58Å; A499-F543 HydrophobicContact CB-CZ 3.93Å
500	G	92.8	Very high	88.2	Confident	17 Å²	17	53.3 Å²	53.3	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-30.8	179.9	0	0	0	0	0	114.5	L496 F497 N502 T534 S536	L496-G500 PolarHBondContact O-N 3.29Å; F497-G500 PolarHBondContact O-N 3.31Å; G500-N502 VanDerWaalsContact C-N 3.33Å; G500-T534 PolarHBondContact O-OG1 3.41Å; G500-S536 PolarHBondContact O-OG 3.35Å
501	N	92.7	Very high	88.6	Confident	123 Å²	123	52.6 Å²	52.6	66%	0.658	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	4.1	178.8	-70.2	-38.5	0	0	0	113.8	F497 D503	F497-N501 WeakPolarHBondContact O-CB 3.41Å; F497-N501 PolarHBondContact O-N 3Å; F497-N501 VanDerWaalsContact O-N 3.07Å; F497-N501 PolarHBondContact O-ND2 2.91Å; F497-N501 VanDerWaalsContact O-ND2 3.13Å; N501-D503 PolarHBondContact O-N 3.36Å
502	N	93	Very high	88.7	Confident	52 Å²	52	58.3 Å²	58.3	28%	0.278	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.1	-171.4	-154.6	37.9	0	0	0	113.3	A498 A499 G500 L504 S536 D538 A539	A498-N502 PolarHBondContact O-N 2.84Å; A499-N502 PolarHBondContact O-N 3.47Å; G500-N502 VanDerWaalsContact C-N 3.33Å; N502-L504 PolarHBondContact O-N 3.33Å; N502-S536 PolarHBondContact N-OG 2.95Å; N502-D538 PolarHBondContact ND2-OD2 3.09Å; N502-D538 PolarHBondContact OD1-N 3.02Å; N502-A539 PolarHBondContact OD1-N 3.24Å
503	D	93.4	Very high	88.2	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	31%	0.314	S	S	.	.			trans	-82.6	80.2	-179.9	-177.4	0.7	0	0	0	110.9	A498 N501 S505 T506 L507	A498-D503 HydrophobicContact CB-CB 4.47Å; A498-D503 PolarHBondContact O-N 2.9Å; N501-D503 PolarHBondContact O-N 3.36Å; D503-S505 PolarHBondContact O-N 2.98Å; D503-S505 VanDerWaalsContact O-N 3.16Å; D503-S505 WeakPolarHBondContact OD1-CB 3.43Å; D503-S505 PolarHBondContact OD1-N 3.49Å; D503-T506 VanDerWaalsContact CG-OG1 3.32Å; D503-T506 PolarHBondContact O-N 2.82Å; D503-T506 PolarHBondContact OD1-N 3.21Å; D503-T506 VanDerWaalsContact OD2-CB 3.24Å; D503-T506 WeakPolarHBondContact OD2-CB 3.41Å; D503-T506 PolarHBondContact OD2-OG1 2.99Å; D503-L507 WeakPolarHBondContact O-CG 3.44Å; D503-L507 PolarHBondContact O-N 2.82Å
504	L	91.2	Very high	87.7	Confident	45 Å²	45	62.9 Å²	62.9	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-54.5	-30.1	174.9	-77.1	169.9	0	0	0	113.5	N502 R508 D538 F542	N502-L504 PolarHBondContact O-N 3.33Å; L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 WeakPolarHBondContact O-CD 3.41Å; L504-R508 WeakPolarHBondContact O-CG 3.3Å; L504-R508 PolarHBondContact O-N 2.9Å; L504-D538 HydrophobicContact CD1-CB 3.73Å; L504-D538 HydrophobicContact CD2-CB 4.14Å; L504-D538 HydrophobicContact CG-CB 4.07Å; L504-F542 HydrophobicContact CD2-CB 3.82Å; L504-F542 HydrophobicContact CD2-CD2 4.18Å; L504-F542 HydrophobicContact CD2-CG 4.12Å
505	S	90	Very high	87.3	Confident	76 Å²	76	60.8 Å²	60.8	53%	0.531	32%	0.317	S	S	.	.	H	α-helix	trans	-69.3	-41.6	-178.3	-58.6	0	0	0	0	110.5	D503 R509	D503-S505 PolarHBondContact O-N 2.98Å; D503-S505 VanDerWaalsContact O-N 3.16Å; D503-S505 WeakPolarHBondContact OD1-CB 3.43Å; D503-S505 PolarHBondContact OD1-N 3.49Å; S505-R509 WeakPolarHBondContact O-CG 3.2Å; S505-R509 PolarHBondContact O-N 2.84Å; S505-R509 VanDerWaalsContact O-N 3.13Å
506	T	87	Confident	86.9	Confident	20 Å²	20	65.4 Å²	65.4	12%	0.123	34%	0.341	C	S	.	.	H	α-helix	trans	-70.7	-41.9	174.5	-61.4	0	0	0	0	111.7	T494 A498 D503 R508 R509 C510	T494-T506 HydrophobicContact CG2-CG2 4Å; A498-T506 HydrophobicContact CB-CG2 3.7Å; D503-T506 VanDerWaalsContact CG-OG1 3.32Å; D503-T506 PolarHBondContact O-N 2.82Å; D503-T506 PolarHBondContact OD1-N 3.21Å; D503-T506 VanDerWaalsContact OD2-CB 3.24Å; D503-T506 WeakPolarHBondContact OD2-CB 3.41Å; D503-T506 PolarHBondContact OD2-OG1 2.99Å; T506-R508 VanDerWaalsContact C-N 3.35Å; T506-R508 PolarHBondContact O-N 3.28Å; T506-R509 WeakPolarHBondContact O-CB 3.42Å; T506-R509 PolarHBondContact O-N 3.23Å; T506-R509 VanDerWaalsContact O-N 3.11Å; T506-R509 PolarHBondContact OG1-NH2 3.44Å; T506-C510 PolarHBondContact O-N 3.09Å; T506-C510 PolarHBondContact O-SG 2.86Å; T506-C510 VanDerWaalsContact O-SG 3.34Å
507	L	89.2	Confident	86.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-44.9	174.4	-66.6	177.2	0	0	0	112	L495 A498 D503 R509 C510 F511 F517 A539 F542 F543	L495-L507 HydrophobicContact CD1-CD2 3.8Å; A498-L507 HydrophobicContact CB-CD2 3.83Å; A498-L507 HydrophobicContact CB-CG 4.09Å; D503-L507 WeakPolarHBondContact O-CG 3.44Å; D503-L507 PolarHBondContact O-N 2.82Å; L507-R509 VanDerWaalsContact C-N 3.32Å; L507-R509 PolarHBondContact O-N 3.14Å; L507-C510 PolarHBondContact O-N 3.09Å; L507-F511 PolarHBondContact O-N 2.87Å; L507-F517 HydrophobicContact CD2-CE1 4.36Å; L507-F517 WeakPolarHBondContact O-CZ 3.48Å; L507-A539 HydrophobicContact CD1-CB 3.69Å; L507-F542 HydrophobicContact CB-CD1 3.92Å; L507-F542 HydrophobicContact CB-CE1 3.95Å; L507-F542 HydrophobicContact CD1-CD1 4.41Å; L507-F543 HydrophobicContact CD1-CD2 4.45Å; L507-F543 HydrophobicContact CD1-CE2 3.95Å; L507-F543 HydrophobicContact CD2-CE2 3.75Å; L507-F543 HydrophobicContact CD2-CZ 3.88Å
508	R	89.1	Confident	86.7	Confident	144 Å²	144	60.7 Å²	60.7	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-59.1	-42.7	174.6	-75.1	169.5	-177.8	-173.6	1.2	112.1	L504 T506 F511 I512 F542	L504-R508 WeakPolarHBondContact O-CB 3.44Å; L504-R508 WeakPolarHBondContact O-CD 3.41Å; L504-R508 WeakPolarHBondContact O-CG 3.3Å; L504-R508 PolarHBondContact O-N 2.9Å; T506-R508 VanDerWaalsContact C-N 3.35Å; T506-R508 PolarHBondContact O-N 3.28Å; R508-F511 PolarHBondContact O-N 3.18Å; R508-I512 WeakPolarHBondContact O-CD1 3.32Å; R508-I512 VanDerWaalsContact O-CG1 3.26Å; R508-I512 WeakPolarHBondContact O-CG1 3.43Å; R508-I512 PolarHBondContact O-N 2.86Å; R508-F542 HydrophobicContact CB-CZ 4.42Å; R508-F542 HydrophobicContact CG-CD2 4.45Å; R508-F542 HydrophobicContact CG-CE2 3.57Å; R508-F542 HydrophobicContact CG-CZ 3.76Å
509	R	82.4	Confident	86.4	Confident	142 Å²	142	61.2 Å²	61.2	54%	0.536	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-48	174.6	-77.2	-175.5	-67	-139.1	-1.7	111.2	S505 T506 L507 F511 I512 H513	S505-R509 WeakPolarHBondContact O-CG 3.2Å; S505-R509 PolarHBondContact O-N 2.84Å; S505-R509 VanDerWaalsContact O-N 3.13Å; T506-R509 WeakPolarHBondContact O-CB 3.42Å; T506-R509 PolarHBondContact O-N 3.23Å; T506-R509 VanDerWaalsContact O-N 3.11Å; T506-R509 PolarHBondContact OG1-NH2 3.44Å; L507-R509 VanDerWaalsContact C-N 3.32Å; L507-R509 PolarHBondContact O-N 3.14Å; R509-F511 VanDerWaalsContact C-N 3.29Å; R509-F511 PolarHBondContact O-N 2.72Å; R509-I512 PolarHBondContact O-N 3.39Å; R509-H513 PolarHBondContact O-N 2.97Å; R509-H513 PolarHBondContact O-ND1 2.84Å
510	C	82.4	Confident	86.1	Confident	13 Å²	13	66.3 Å²	66.3	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-56.8	-44.3	177.7	-68.5	0	0	0	0	111.7	L495 T506 L507 H513 G514 V515 F517	L495-C510 HydrophobicContact CD1-CB 4.09Å; T506-C510 PolarHBondContact O-N 3.09Å; T506-C510 PolarHBondContact O-SG 2.86Å; T506-C510 VanDerWaalsContact O-SG 3.34Å; L507-C510 PolarHBondContact O-N 3.09Å; C510-H513 PolarHBondContact O-N 2.87Å; C510-G514 PolarHBondContact O-N 3.02Å; C510-V515 HydrophobicContact CB-CB 4.12Å; C510-V515 HydrophobicContact CB-CG2 4.09Å; C510-V515 WeakPolarHBondContact O-CB 3.48Å; C510-V515 WeakPolarHBondContact O-CG2 3.38Å; C510-V515 PolarHBondContact O-N 2.95Å; C510-V515 VanDerWaalsContact O-N 3.1Å; C510-F517 HydrophobicContact CB-CE2 3.97Å; C510-F517 HydrophobicContact CB-CZ 4.16Å
511	F	82.5	Confident	85.7	Confident	89 Å²	89	66.7 Å²	66.7	39%	0.39	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-46.7	178.6	-174.4	-99.6	0	0	0	112.1	L507 R508 R509 H513 G514 F517 F542 V546	L507-F511 PolarHBondContact O-N 2.87Å; R508-F511 PolarHBondContact O-N 3.18Å; R509-F511 VanDerWaalsContact C-N 3.29Å; R509-F511 PolarHBondContact O-N 2.72Å; F511-H513 PolarHBondContact O-N 2.88Å; F511-G514 PolarHBondContact O-N 2.58Å; F511-F517 HydrophobicContact CB-CE2 3.87Å; F511-F517 HydrophobicContact CB-CZ 3.88Å; F511-F517 HydrophobicContact CD2-CD2 4.45Å; F511-F517 HydrophobicContact CD2-CE2 4.24Å; F511-F517 HydrophobicContact CD2-CZ 4.5Å; F511-F542 HydrophobicContact CB-CE1 4.14Å; F511-F542 HydrophobicContact CB-CZ 4.07Å; F511-F542 HydrophobicContact CG-CZ 4.37Å; F511-V546 HydrophobicContact CD1-CG1 3.93Å; F511-V546 HydrophobicContact CD2-CG1 4.21Å; F511-V546 HydrophobicContact CE1-CG1 3.69Å; F511-V546 HydrophobicContact CE2-CG1 4Å; F511-V546 WeakPolarHBondContact CE2-O 3.23Å; F511-V546 HydrophobicContact CG-CG1 4.18Å; F511-V546 HydrophobicContact CZ-CG1 3.72Å; F511-V546 WeakPolarHBondContact CZ-O 3.33Å
512	I	79.1	Confident	85.2	Confident	137 Å²	137	69.3 Å²	69.3	70%	0.703	35%	0.353	S	S	*	.	H	α-helix	trans	-62.8	-31.9	177.6	-67.5	165.4	0	0	0	111.7	R508 R509 G514	R508-I512 WeakPolarHBondContact O-CD1 3.32Å; R508-I512 VanDerWaalsContact O-CG1 3.26Å; R508-I512 WeakPolarHBondContact O-CG1 3.43Å; R508-I512 PolarHBondContact O-N 2.86Å; R509-I512 PolarHBondContact O-N 3.39Å; I512-G514 VanDerWaalsContact C-N 3.26Å; I512-G514 PolarHBondContact O-N 3.03Å
513	H	71.6	Confident	85	Confident	105 Å²	105	67.7 Å²	67.7	49%	0.486	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.6	177.4	-71.2	77.6	0	0	0	113.7	H473 R509 C510 F511 V515	H473-H513 AromaticContact CE1-NE2 3.98Å; R509-H513 PolarHBondContact O-N 2.97Å; R509-H513 PolarHBondContact O-ND1 2.84Å; C510-H513 PolarHBondContact O-N 2.87Å; F511-H513 PolarHBondContact O-N 2.88Å; H513-V515 VanDerWaalsContact C-N 3.33Å; H513-V515 PolarHBondContact O-N 3.25Å
514	G	76.1	Confident	84.7	Confident	66 Å²	66	65.7 Å²	65.7	68%	0.68	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	24.4	176.8	0	0	0	0	0	114.5	C510 F511 I512	C510-G514 PolarHBondContact O-N 3.02Å; F511-G514 PolarHBondContact O-N 2.58Å; I512-G514 VanDerWaalsContact C-N 3.26Å; I512-G514 PolarHBondContact O-N 3.03Å
515	V	78.3	Confident	84.7	Confident	25 Å²	25	67 Å²	67	15%	0.152	34%	0.34	C	S	.	.			trans	-63.7	138.2	171.4	179.1	0	0	0	0	108.9	A491 L495 C510 H513 F517	A491-V515 HydrophobicContact CB-CG1 4.28Å; A491-V515 HydrophobicContact CB-CG2 4.41Å; L495-V515 HydrophobicContact CD2-CG1 4.48Å; C510-V515 HydrophobicContact CB-CB 4.12Å; C510-V515 HydrophobicContact CB-CG2 4.09Å; C510-V515 WeakPolarHBondContact O-CB 3.48Å; C510-V515 WeakPolarHBondContact O-CG2 3.38Å; C510-V515 PolarHBondContact O-N 2.95Å; C510-V515 VanDerWaalsContact O-N 3.1Å; H513-V515 VanDerWaalsContact C-N 3.33Å; H513-V515 PolarHBondContact O-N 3.25Å; V515-F517 WeakPolarHBondContact O-CD2 3.34Å; V515-F517 PolarHBondContact O-N 3.41Å
516	D	83.4	Confident	84.9	Confident	96 Å²	96	63.7 Å²	63.7	51%	0.513	32%	0.316	S	S	.	.			trans	-73.5	114.2	176.3	-179	7.9	0	0	0	110.8	N518 A519	D516-N518 VanDerWaalsContact C-N 3.26Å; D516-N518 PolarHBondContact O-N 2.89Å; D516-N518 WeakPolarHBondContact OD1-CB 3.36Å; D516-N518 PolarHBondContact OD1-N 3.25Å; D516-A519 HydrophobicContact CB-CB 4.44Å; D516-A519 VanDerWaalsContact O-CB 3.24Å; D516-A519 WeakPolarHBondContact O-CB 3.45Å; D516-A519 PolarHBondContact O-N 3.22Å
517	F	89	Confident	85.2	Confident	7 Å²	7	62.7 Å²	62.7	3%	0.031	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.4	179.9	-87.5	-125.1	0	0	0	113.4	L495 L507 C510 F511 V515 A519 F542 F543 V549	L495-F517 HydrophobicContact CD1-CD1 4.27Å; L495-F517 HydrophobicContact CD1-CD2 4.05Å; L495-F517 HydrophobicContact CD1-CE1 3.92Å; L495-F517 HydrophobicContact CD1-CE2 3.7Å; L495-F517 HydrophobicContact CD1-CG 4.3Å; L495-F517 HydrophobicContact CD1-CZ 3.61Å; L507-F517 HydrophobicContact CD2-CE1 4.36Å; L507-F517 WeakPolarHBondContact O-CZ 3.48Å; C510-F517 HydrophobicContact CB-CE2 3.97Å; C510-F517 HydrophobicContact CB-CZ 4.16Å; F511-F517 HydrophobicContact CB-CE2 3.87Å; F511-F517 HydrophobicContact CB-CZ 3.88Å; F511-F517 HydrophobicContact CD2-CD2 4.45Å; F511-F517 HydrophobicContact CD2-CE2 4.24Å; F511-F517 HydrophobicContact CD2-CZ 4.5Å; V515-F517 WeakPolarHBondContact O-CD2 3.34Å; V515-F517 PolarHBondContact O-N 3.41Å; F517-A519 VanDerWaalsContact C-N 3.31Å; F517-F542 AromaticContact CE1-CD1 3.87Å; F517-F542 HydrophobicContact CE1-CD1 3.87Å; F517-F542 AromaticContact CE1-CE1 3.68Å; F517-F542 HydrophobicContact CE1-CE1 3.68Å; F517-F542 HydrophobicContact CZ-CD1 4.48Å; F517-F542 AromaticContact CZ-CE1 3.88Å; F517-F542 HydrophobicContact CZ-CE1 3.88Å; F517-F543 HydrophobicContact CB-CD1 4.23Å; F517-F543 HydrophobicContact CB-CE1 4.13Å; F517-F543 AromaticContact CD1-CD1 3.38Å; F517-F543 HydrophobicContact CD1-CD1 3.38Å; F517-F543 AromaticContact CD1-CE1 3.28Å; F517-F543 HydrophobicContact CD1-CE1 3.28Å; F517-F543 HydrophobicContact CD1-CG 4.11Å; F517-F543 AromaticContact CD1-CZ 3.94Å; F517-F543 HydrophobicContact CD1-CZ 3.94Å; F517-F543 HydrophobicContact CE1-CD1 4.13Å; F517-F543 AromaticContact CE1-CE1 3.87Å; F517-F543 HydrophobicContact CE1-CE1 3.87Å; F517-F543 HydrophobicContact CE1-CE2 4.49Å; F517-F543 HydrophobicContact CE1-CZ 4.04Å; F517-F543 HydrophobicContact CG-CD1 4.23Å; F517-F543 AromaticContact CG-CE1 3.97Å; F517-F543 HydrophobicContact CG-CE1 3.97Å; F517-V549 HydrophobicContact CB-CG1 3.54Å; F517-V549 WeakPolarHBondContact O-CG1 3.33Å
518	N	89.4	Confident	85.5	Confident	52 Å²	52	62.8 Å²	62.8	28%	0.278	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	5.2	172	-67.8	-76.8	0	0	0	112.8	D516 V549 K550	D516-N518 VanDerWaalsContact C-N 3.26Å; D516-N518 PolarHBondContact O-N 2.89Å; D516-N518 WeakPolarHBondContact OD1-CB 3.36Å; D516-N518 PolarHBondContact OD1-N 3.25Å; N518-V549 WeakPolarHBondContact OD1-CA 3.36Å; N518-K550 PolarHBondContact OD1-N 3.01Å
519	A	86.9	Confident	85.8	Confident	17 Å²	17	55.9 Å²	55.9	14%	0.14	29%	0.285	C	S	.	.			trans	-63.6	145.7	179.4	0	0	0	0	0	111.8	V492 D516 F517	V492-A519 HydrophobicContact CG2-CB 3.44Å; V492-A519 VanDerWaalsContact CG2-CB 3.44Å; D516-A519 HydrophobicContact CB-CB 4.44Å; D516-A519 VanDerWaalsContact O-CB 3.24Å; D516-A519 WeakPolarHBondContact O-CB 3.45Å; D516-A519 PolarHBondContact O-N 3.22Å; F517-A519 VanDerWaalsContact C-N 3.31Å
520	I	87.9	Confident	86.4	Confident	106 Å²	106	50.2 Å²	50.2	54%	0.544	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-115	146.4	-173.9	56.3	175.4	0	0	0	111.4	R525 T526	I520-R525 CarbonylContact C-O 3.58Å; I520-R525 VanDerWaalsContact CA-O 3.29Å; I520-R525 WeakPolarHBondContact CA-O 3.37Å; I520-T526 HydrophobicContact CG2-CG2 3.75Å
521	D	86.3	Confident	87.1	Confident	26 Å²	26	49.6 Å²	49.6	14%	0.139	26%	0.261	C	S	.	.			trans	-79	-175	165.4	68.8	7	0	0	0	112.1	L496 D523 G524 R525	L496-D521 HydrophobicContact CD1-CB 3.66Å; D521-D523 PolarHBondContact O-N 3.24Å; D521-D523 WeakPolarHBondContact OD1-CA 3.32Å; D521-D523 WeakPolarHBondContact OD1-CB 3.46Å; D521-D523 PolarHBondContact OD1-N 2.87Å; D521-G524 PolarHBondContact O-N 3.02Å; D521-G524 PolarHBondContact OD1-N 3.12Å; D521-R525 PolarHBondContact N-O 3.4Å; D521-R525 WeakPolarHBondContact OD1-CB 3.43Å; D521-R525 PolarHBondContact OD1-N 3.44Å; D521-R525 IonicContact OD2-CZ 3.83Å; D521-R525 IonicContact OD2-NE 3.4Å; D521-R525 PolarHBondContact OD2-NE 3.41Å; D521-R525 IonicContact OD2-NH2 3.84Å; D521-R525 PolarHBondContact OD2-NH2 3.36Å
522	Y	81.6	Confident	87.7	Confident	178 Å²	178	45.3 Å²	45.3	70%	0.698	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.2	177.9	60.9	-94.2	0	0	0	113.3	G524 R556	Y522-G524 VanDerWaalsContact C-N 3.35Å; Y522-R556 PolarHBondContact O-NH2 3.35Å
523	D	87.5	Confident	88.5	Confident	17 Å²	17	39.8 Å²	39.8	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.3	175.4	-67.7	-34.8	0	0	0	112.3	D521 R525 R556 W557	D521-D523 PolarHBondContact O-N 3.24Å; D521-D523 WeakPolarHBondContact OD1-CA 3.32Å; D521-D523 WeakPolarHBondContact OD1-CB 3.46Å; D521-D523 PolarHBondContact OD1-N 2.87Å; D523-R525 HydrophobicContact CB-CG 4.17Å; D523-R525 PolarHBondContact O-N 3.2Å; D523-R525 IonicContact OD2-NH2 2.69Å; D523-R556 WeakPolarHBondContact O-CB 3.48Å; D523-R556 PolarHBondContact O-N 3.03Å; D523-R556 IonicContact OD1-CZ 3.13Å; D523-R556 IonicContact OD1-NE 2.83Å; D523-W557 HydrophobicContact CB-CH2 3.69Å; D523-W557 HydrophobicContact CB-CZ3 3.66Å; D523-W557 WeakPolarHBondContact OD2-CH2 3.46Å
524	G	87.6	Confident	89.5	Confident	19 Å²	19	38 Å²	38	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	74.5	9.6	-175.9	0	0	0	0	0	113.3	D521 Y522	D521-G524 PolarHBondContact O-N 3.02Å; D521-G524 PolarHBondContact OD1-N 3.12Å; Y522-G524 VanDerWaalsContact C-N 3.35Å
525	R	91.1	Very high	90.4	Very high	71 Å²	71	36.3 Å²	36.3	27%	0.268	20%	0.195	S	C	.	.			trans	-83.6	139.4	-178.9	-64.2	-173.9	-58.2	177.2	0.2	110.9	I520 D521 D523 H529 D555 W557	I520-R525 CarbonylContact C-O 3.58Å; I520-R525 VanDerWaalsContact CA-O 3.29Å; I520-R525 WeakPolarHBondContact CA-O 3.37Å; D521-R525 PolarHBondContact N-O 3.4Å; D521-R525 WeakPolarHBondContact OD1-CB 3.43Å; D521-R525 PolarHBondContact OD1-N 3.44Å; D521-R525 IonicContact OD2-CZ 3.83Å; D521-R525 IonicContact OD2-NE 3.4Å; D521-R525 PolarHBondContact OD2-NE 3.41Å; D521-R525 IonicContact OD2-NH2 3.84Å; D521-R525 PolarHBondContact OD2-NH2 3.36Å; D523-R525 HydrophobicContact CB-CG 4.17Å; D523-R525 PolarHBondContact O-N 3.2Å; D523-R525 IonicContact OD2-NH2 2.69Å; R525-H529 HydrophobicContact CB-CB 4.05Å; R525-H529 HydrophobicContact CG-CB 4.35Å; R525-D555 HydrophobicContact CG-CB 3.76Å; R525-W557 HydrophobicContact CG-CZ3 4.5Å
526	T	93.7	Very high	91.2	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.043	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-96.1	168.4	174.8	60.2	0	0	0	0	110.8	L496 I520 L528 H529 V530 P553	L496-T526 VanDerWaalsContact CD2-C 3.48Å; I520-T526 HydrophobicContact CG2-CG2 3.75Å; T526-L528 PolarHBondContact O-N 2.94Å; T526-L528 VanDerWaalsContact O-N 3.14Å; T526-L528 PolarHBondContact OG1-N 2.91Å; T526-H529 PolarHBondContact N-ND1 2.92Å; T526-H529 WeakPolarHBondContact O-CB 3.4Å; T526-H529 PolarHBondContact O-N 2.94Å; T526-H529 PolarHBondContact OG1-N 3.32Å; T526-H529 PolarHBondContact OG1-ND1 3.25Å; T526-V530 PolarHBondContact O-N 3.42Å; T526-P553 HydrophobicContact CG2-CB 3.94Å; T526-P553 HydrophobicContact CG2-CG 4.02Å
527	G	94	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-28.7	171	0	0	0	0	0	113.2	L496 A499 V530 A531	L496-G527 VanDerWaalsContact CD2-CA 3.4Å; A499-G527 WeakPolarHBondContact CB-O 3.27Å; G527-V530 PolarHBondContact O-N 3Å; G527-A531 WeakPolarHBondContact O-CB 3.46Å; G527-A531 PolarHBondContact O-N 3.05Å
528	L	95.8	Very high	91.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-39.4	175.5	-170.8	60.8	0	0	0	112.6	T526 A532 V540 F543 I544 V549 P561	T526-L528 PolarHBondContact O-N 2.94Å; T526-L528 VanDerWaalsContact O-N 3.14Å; T526-L528 PolarHBondContact OG1-N 2.91Å; L528-A532 WeakPolarHBondContact O-CB 3.35Å; L528-A532 PolarHBondContact O-N 2.81Å; L528-V540 HydrophobicContact CD1-CB 4.35Å; L528-V540 HydrophobicContact CD1-CG1 3.99Å; L528-V540 HydrophobicContact CD1-CG2 4.27Å; L528-F543 HydrophobicContact CD1-CB 4.07Å; L528-I544 HydrophobicContact CD1-CD1 4.26Å; L528-I544 HydrophobicContact CD1-CG1 4.21Å; L528-I544 HydrophobicContact CD2-CG1 4.41Å; L528-V549 HydrophobicContact CB-CG2 4.46Å; L528-V549 HydrophobicContact CD2-CG2 3.87Å; L528-P561 HydrophobicContact CB-CG 4.19Å; L528-P561 HydrophobicContact CD2-CB 4.16Å; L528-P561 HydrophobicContact CD2-CG 3.86Å; L528-P561 HydrophobicContact CG-CB 3.8Å; L528-P561 HydrophobicContact CG-CG 3.78Å
529	H	95.7	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-47	172.6	-74.8	95.2	0	0	0	111.2	R525 T526 A532 S533 P553 H559 P561 D564	R525-H529 HydrophobicContact CB-CB 4.05Å; R525-H529 HydrophobicContact CG-CB 4.35Å; T526-H529 PolarHBondContact N-ND1 2.92Å; T526-H529 WeakPolarHBondContact O-CB 3.4Å; T526-H529 PolarHBondContact O-N 2.94Å; T526-H529 PolarHBondContact OG1-N 3.32Å; T526-H529 PolarHBondContact OG1-ND1 3.25Å; H529-A532 PolarHBondContact O-N 3.18Å; H529-S533 WeakPolarHBondContact O-CB 3.26Å; H529-S533 PolarHBondContact O-N 2.85Å; H529-S533 PolarHBondContact O-OG 3.41Å; H529-P553 PolarHBondContact CE1-O 3.05Å; H529-P553 VanDerWaalsContact CE1-O 3.26Å; H529-P553 PolarHBondContact NE2-O 2.81Å; H529-H559 PolarHBondContact NE2-O 3.44Å; H529-P561 WeakPolarHBondContact NE2-CD 3.18Å; H529-D564 IonicContact CD2-OD2 2.71Å; H529-D564 PolarHBondContact CD2-OD2 3.08Å
530	V	95.3	Very high	92.6	Very high	22 Å²	22	32.8 Å²	32.8	13%	0.133	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-42.9	-178.6	-177.6	0	0	0	0	111.4	L496 T526 G527 A532 S533 T534	L496-V530 HydrophobicContact CB-CG2 4.45Å; L496-V530 HydrophobicContact CD2-CG2 4.04Å; T526-V530 PolarHBondContact O-N 3.42Å; G527-V530 PolarHBondContact O-N 3Å; V530-A532 PolarHBondContact O-N 2.83Å; V530-S533 WeakPolarHBondContact CA-OG 3.18Å; V530-S533 PolarHBondContact O-OG 3.19Å; V530-S533 VanDerWaalsContact O-OG 3.08Å; V530-T534 HydrophobicContact CG1-CG2 4.47Å; V530-T534 WeakPolarHBondContact O-CB 2.86Å; V530-T534 VanDerWaalsContact O-CG2 3.3Å; V530-T534 WeakPolarHBondContact O-CG2 3.26Å; V530-T534 PolarHBondContact O-N 3.38Å; V530-T534 VanDerWaalsContact O-N 3.13Å; V530-T534 PolarHBondContact O-OG1 3.44Å
531	A	96	Very high	92.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-39.6	176	0	0	0	0	0	112.2	A499 G527 T534 G535 S536 A539 V540	A499-A531 HydrophobicContact CB-CB 4.27Å; G527-A531 WeakPolarHBondContact O-CB 3.46Å; G527-A531 PolarHBondContact O-N 3.05Å; A531-T534 PolarHBondContact O-OG1 3.24Å; A531-G535 PolarHBondContact O-N 2.91Å; A531-S536 PolarHBondContact O-N 3.46Å; A531-A539 HydrophobicContact CB-CB 3.9Å; A531-V540 HydrophobicContact CB-CG2 3.71Å
532	A	95.9	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.7	-42.8	-179.8	0	0	0	0	0	112.7	L528 H529 V530 V540 P561 A565 H570 I573	L528-A532 WeakPolarHBondContact O-CB 3.35Å; L528-A532 PolarHBondContact O-N 2.81Å; H529-A532 PolarHBondContact O-N 3.18Å; V530-A532 PolarHBondContact O-N 2.83Å; A532-V540 HydrophobicContact CB-CG2 4.5Å; A532-P561 HydrophobicContact CB-CB 4Å; A532-P561 VanDerWaalsContact CB-O 3.25Å; A532-P561 WeakPolarHBondContact CB-O 3.22Å; A532-A565 HydrophobicContact CB-CB 4.32Å; A532-H570 PolarHBondContact O-CD2 3.23Å; A532-I573 HydrophobicContact CB-CG2 4.3Å
533	S	94.9	Very high	93.8	Very high	20 Å²	20	22.5 Å²	22.5	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-31.9	177.5	52.3	0	0	0	0	113.5	H529 V530 H570	H529-S533 WeakPolarHBondContact O-CB 3.26Å; H529-S533 PolarHBondContact O-N 2.85Å; H529-S533 PolarHBondContact O-OG 3.41Å; V530-S533 WeakPolarHBondContact CA-OG 3.18Å; V530-S533 PolarHBondContact O-OG 3.19Å; V530-S533 VanDerWaalsContact O-OG 3.08Å; S533-H570 PolarHBondContact O-CD2 3.14Å; S533-H570 PolarHBondContact O-NE2 3.28Å
534	T	94	Very high	94	Very high	68 Å²	68	22.9 Å²	22.9	42%	0.417	13%	0.129	S	C	.	.	H	α-helix	trans	-85.8	-11.6	-179.4	54.2	0	0	0	0	114.5	G500 V530 A531 S536	G500-T534 PolarHBondContact O-OG1 3.41Å; V530-T534 HydrophobicContact CG1-CG2 4.47Å; V530-T534 WeakPolarHBondContact O-CB 2.86Å; V530-T534 VanDerWaalsContact O-CG2 3.3Å; V530-T534 WeakPolarHBondContact O-CG2 3.26Å; V530-T534 PolarHBondContact O-N 3.38Å; V530-T534 VanDerWaalsContact O-N 3.13Å; V530-T534 PolarHBondContact O-OG1 3.44Å; A531-T534 PolarHBondContact O-OG1 3.24Å; T534-S536 PolarHBondContact OG1-OG 3.13Å
535	G	94.1	Very high	94.2	Very high	30 Å²	30	27.6 Å²	27.6	31%	0.309	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	18.6	-176.6	0	0	0	0	0	114.2	A531 L537 H570 I573	A531-G535 PolarHBondContact O-N 2.91Å; G535-L537 PolarHBondContact O-N 3.3Å; G535-H570 VanDerWaalsContact CA-CE1 3.48Å; G535-H570 WeakPolarHBondContact CA-CE1 3.5Å; G535-H570 WeakPolarHBondContact CA-ND1 3.43Å; G535-H570 PolarHBondContact N-NE2 3.08Å; G535-I573 VanDerWaalsContact C-CD1 3.49Å
536	S	94.8	Very high	94	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.063	15%	0.152	C	C	.	.			trans	-83	76.2	-176.5	-64.8	0	0	0	0	112	A499 G500 N502 A531 T534 D538 A539 V540	A499-S536 WeakPolarHBondContact O-CB 3.37Å; A499-S536 PolarHBondContact O-OG 3.48Å; G500-S536 PolarHBondContact O-OG 3.35Å; N502-S536 PolarHBondContact N-OG 2.95Å; A531-S536 PolarHBondContact O-N 3.46Å; T534-S536 PolarHBondContact OG1-OG 3.13Å; S536-D538 PolarHBondContact O-N 3.46Å; S536-A539 PolarHBondContact O-N 3.36Å; S536-V540 WeakPolarHBondContact O-CG2 3.41Å; S536-V540 PolarHBondContact O-N 3.07Å
537	L	93.8	Very high	93.3	Very high	40 Å²	40	27.6 Å²	27.6	21%	0.209	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-42	-173.2	-179.7	64.1	0	0	0	113.7	G535 V540 K541 K572 I573	G535-L537 PolarHBondContact O-N 3.3Å; L537-V540 PolarHBondContact O-N 3.36Å; L537-K541 HydrophobicContact CG-CD 4.47Å; L537-K541 WeakPolarHBondContact O-CG 3.39Å; L537-K541 PolarHBondContact O-N 3.28Å; L537-K572 HydrophobicContact CD2-CB 4.27Å; L537-K572 HydrophobicContact CD2-CD 4.45Å; L537-I573 HydrophobicContact CB-CG1 4.23Å; L537-I573 HydrophobicContact CD1-CG1 3.8Å
538	D	94.8	Very high	92.8	Very high	74 Å²	74	30.4 Å²	30.4	40%	0.396	19%	0.186	S	C	.	.	H	α-helix	trans	-71.2	-36.7	-177.1	-53.6	-53.6	0	0	0	111.8	N502 L504 S536 K541 F542	N502-D538 PolarHBondContact ND2-OD2 3.09Å; N502-D538 PolarHBondContact OD1-N 3.02Å; L504-D538 HydrophobicContact CD1-CB 3.73Å; L504-D538 HydrophobicContact CD2-CB 4.14Å; L504-D538 HydrophobicContact CG-CB 4.07Å; S536-D538 PolarHBondContact O-N 3.46Å; D538-K541 PolarHBondContact O-N 2.81Å; D538-F542 WeakPolarHBondContact O-CB 3.45Å; D538-F542 PolarHBondContact O-N 3.26Å
539	A	94.6	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-48.8	170.1	0	0	0	0	0	110.6	N502 L507 A531 S536 K541 F542 F543	N502-A539 PolarHBondContact OD1-N 3.24Å; L507-A539 HydrophobicContact CD1-CB 3.69Å; A531-A539 HydrophobicContact CB-CB 3.9Å; S536-A539 PolarHBondContact O-N 3.36Å; A539-K541 VanDerWaalsContact C-N 3.3Å; A539-K541 PolarHBondContact O-N 3.31Å; A539-F542 WeakPolarHBondContact O-CA 3.4Å; A539-F542 WeakPolarHBondContact O-CB 3.34Å; A539-F542 PolarHBondContact O-N 3.34Å; A539-F543 VanDerWaalsContact O-CD2 3.25Å; A539-F543 WeakPolarHBondContact O-CD2 2.9Å; A539-F543 PolarHBondContact O-N 2.86Å
540	V	95.4	Very high	92	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.3	-47	176.6	170.6	0	0	0	0	111.4	L528 A531 A532 S536 L537 F542 F543 I544 I573 Y576 L577	L528-V540 HydrophobicContact CD1-CB 4.35Å; L528-V540 HydrophobicContact CD1-CG1 3.99Å; L528-V540 HydrophobicContact CD1-CG2 4.27Å; A531-V540 HydrophobicContact CB-CG2 3.71Å; A532-V540 HydrophobicContact CB-CG2 4.5Å; S536-V540 WeakPolarHBondContact O-CG2 3.41Å; S536-V540 PolarHBondContact O-N 3.07Å; L537-V540 PolarHBondContact O-N 3.36Å; V540-F542 PolarHBondContact O-N 3.27Å; V540-F543 PolarHBondContact O-N 3.12Å; V540-I544 HydrophobicContact CG1-CD1 3.97Å; V540-I544 WeakPolarHBondContact O-CG1 3.38Å; V540-I544 PolarHBondContact O-N 3.41Å; V540-I544 VanDerWaalsContact O-N 3.14Å; V540-I573 HydrophobicContact CG1-CG2 4.33Å; V540-I573 HydrophobicContact CG2-CD1 4.14Å; V540-I573 HydrophobicContact CG2-CG2 4.12Å; V540-Y576 HydrophobicContact CG1-CD1 3.95Å; V540-Y576 HydrophobicContact CG1-CE1 4.2Å; V540-L577 HydrophobicContact CG1-CD2 4.04Å; V540-L577 HydrophobicContact CG1-CG 4.4Å
541	K	94.6	Very high	91.7	Very high	73 Å²	73	38.6 Å²	38.6	32%	0.317	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-46.6	175.4	-71.3	177.2	176.9	178.9	0	111.6	L537 D538 A539 I544 E545 Y576	L537-K541 HydrophobicContact CG-CD 4.47Å; L537-K541 WeakPolarHBondContact O-CG 3.39Å; L537-K541 PolarHBondContact O-N 3.28Å; D538-K541 PolarHBondContact O-N 2.81Å; A539-K541 VanDerWaalsContact C-N 3.3Å; A539-K541 PolarHBondContact O-N 3.31Å; K541-I544 PolarHBondContact O-N 2.89Å; K541-E545 WeakPolarHBondContact O-CB 3.49Å; K541-E545 WeakPolarHBondContact O-CG 3.27Å; K541-E545 PolarHBondContact O-N 2.81Å; K541-Y576 HydrophobicContact CB-CE1 4.43Å; K541-Y576 HydrophobicContact CG-CD1 4.32Å; K541-Y576 HydrophobicContact CG-CE1 3.74Å; K541-Y576 HydrophobicContact CG-CE2 4.02Å
542	F	93.9	Very high	91.4	Very high	21 Å²	21	42.6 Å²	42.6	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-44.8	179.8	-170.6	-91.6	0	0	0	112.5	L504 L507 R508 F511 F517 D538 A539 V540 I544 V546 G547	L504-F542 HydrophobicContact CD2-CB 3.82Å; L504-F542 HydrophobicContact CD2-CD2 4.18Å; L504-F542 HydrophobicContact CD2-CG 4.12Å; L507-F542 HydrophobicContact CB-CD1 3.92Å; L507-F542 HydrophobicContact CB-CE1 3.95Å; L507-F542 HydrophobicContact CD1-CD1 4.41Å; R508-F542 HydrophobicContact CB-CZ 4.42Å; R508-F542 HydrophobicContact CG-CD2 4.45Å; R508-F542 HydrophobicContact CG-CE2 3.57Å; R508-F542 HydrophobicContact CG-CZ 3.76Å; F511-F542 HydrophobicContact CB-CE1 4.14Å; F511-F542 HydrophobicContact CB-CZ 4.07Å; F511-F542 HydrophobicContact CG-CZ 4.37Å; F517-F542 AromaticContact CE1-CD1 3.87Å; F517-F542 HydrophobicContact CE1-CD1 3.87Å; F517-F542 AromaticContact CE1-CE1 3.68Å; F517-F542 HydrophobicContact CE1-CE1 3.68Å; F517-F542 HydrophobicContact CZ-CD1 4.48Å; F517-F542 AromaticContact CZ-CE1 3.88Å; F517-F542 HydrophobicContact CZ-CE1 3.88Å; D538-F542 WeakPolarHBondContact O-CB 3.45Å; D538-F542 PolarHBondContact O-N 3.26Å; A539-F542 WeakPolarHBondContact O-CA 3.4Å; A539-F542 WeakPolarHBondContact O-CB 3.34Å; A539-F542 PolarHBondContact O-N 3.34Å; V540-F542 PolarHBondContact O-N 3.27Å; F542-I544 VanDerWaalsContact C-N 3.32Å; F542-I544 PolarHBondContact O-N 3.03Å; F542-V546 HydrophobicContact CD2-CB 4.09Å; F542-V546 HydrophobicContact CD2-CG2 3.88Å; F542-V546 HydrophobicContact CE1-CB 4.4Å; F542-V546 HydrophobicContact CE1-CG1 4.39Å; F542-V546 HydrophobicContact CE2-CB 3.9Å; F542-V546 HydrophobicContact CE2-CG1 3.88Å; F542-V546 HydrophobicContact CE2-CG2 3.88Å; F542-V546 HydrophobicContact CG-CB 4.41Å; F542-V546 HydrophobicContact CZ-CB 4.06Å; F542-V546 HydrophobicContact CZ-CG1 3.77Å; F542-V546 WeakPolarHBondContact O-CA 3.34Å; F542-V546 WeakPolarHBondContact O-CB 3.41Å; F542-V546 PolarHBondContact O-N 3.26Å; F542-G547 PolarHBondContact O-N 3.37Å
543	F	93.2	Very high	91.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-44	176.6	-89.8	-84.3	0	0	0	111.7	L495 A499 L507 F517 L528 A539 V540 G547 G548 V549	L495-F543 HydrophobicContact CD1-CE1 4.34Å; L495-F543 HydrophobicContact CD1-CZ 3.97Å; L495-F543 HydrophobicContact CD2-CE1 4.33Å; L495-F543 HydrophobicContact CD2-CZ 4.46Å; L495-F543 HydrophobicContact CG-CE1 4.41Å; L495-F543 HydrophobicContact CG-CZ 4.06Å; A499-F543 HydrophobicContact CB-CE2 3.58Å; A499-F543 HydrophobicContact CB-CZ 3.93Å; L507-F543 HydrophobicContact CD1-CD2 4.45Å; L507-F543 HydrophobicContact CD1-CE2 3.95Å; L507-F543 HydrophobicContact CD2-CE2 3.75Å; L507-F543 HydrophobicContact CD2-CZ 3.88Å; F517-F543 HydrophobicContact CB-CD1 4.23Å; F517-F543 HydrophobicContact CB-CE1 4.13Å; F517-F543 AromaticContact CD1-CD1 3.38Å; F517-F543 HydrophobicContact CD1-CD1 3.38Å; F517-F543 AromaticContact CD1-CE1 3.28Å; F517-F543 HydrophobicContact CD1-CE1 3.28Å; F517-F543 HydrophobicContact CD1-CG 4.11Å; F517-F543 AromaticContact CD1-CZ 3.94Å; F517-F543 HydrophobicContact CD1-CZ 3.94Å; F517-F543 HydrophobicContact CE1-CD1 4.13Å; F517-F543 AromaticContact CE1-CE1 3.87Å; F517-F543 HydrophobicContact CE1-CE1 3.87Å; F517-F543 HydrophobicContact CE1-CE2 4.49Å; F517-F543 HydrophobicContact CE1-CZ 4.04Å; F517-F543 HydrophobicContact CG-CD1 4.23Å; F517-F543 AromaticContact CG-CE1 3.97Å; F517-F543 HydrophobicContact CG-CE1 3.97Å; L528-F543 HydrophobicContact CD1-CB 4.07Å; A539-F543 VanDerWaalsContact O-CD2 3.25Å; A539-F543 WeakPolarHBondContact O-CD2 2.9Å; A539-F543 PolarHBondContact O-N 2.86Å; V540-F543 PolarHBondContact O-N 3.12Å; F543-G547 CarbonylContact O-C 3.6Å; F543-G547 WeakPolarHBondContact O-CA 3.25Å; F543-G547 PolarHBondContact O-N 2.71Å; F543-G548 PolarHBondContact O-N 3.07Å; F543-V549 HydrophobicContact CB-CG2 4.04Å; F543-V549 HydrophobicContact CD1-CG1 3.83Å; F543-V549 WeakPolarHBondContact O-CG2 3.27Å; F543-V549 PolarHBondContact O-N 3.48Å
544	I	91.8	Very high	91	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-77.7	-49	-176.2	-67	174.6	0	0	0	112.1	L528 V540 K541 F542 L551 Y576 L577 K580	L528-I544 HydrophobicContact CD1-CD1 4.26Å; L528-I544 HydrophobicContact CD1-CG1 4.21Å; L528-I544 HydrophobicContact CD2-CG1 4.41Å; V540-I544 HydrophobicContact CG1-CD1 3.97Å; V540-I544 WeakPolarHBondContact O-CG1 3.38Å; V540-I544 PolarHBondContact O-N 3.41Å; V540-I544 VanDerWaalsContact O-N 3.14Å; K541-I544 PolarHBondContact O-N 2.89Å; F542-I544 VanDerWaalsContact C-N 3.32Å; F542-I544 PolarHBondContact O-N 3.03Å; I544-L551 HydrophobicContact CB-CD2 4.4Å; I544-L551 HydrophobicContact CD1-CD2 3.67Å; I544-L551 HydrophobicContact CG1-CD2 3.69Å; I544-L551 HydrophobicContact CG2-CD2 3.91Å; I544-Y576 HydrophobicContact CD1-CD1 4.47Å; I544-Y576 HydrophobicContact CD1-CE1 4Å; I544-L577 HydrophobicContact CD1-CD2 3.46Å; I544-L577 VanDerWaalsContact CD1-CD2 3.46Å; I544-K580 HydrophobicContact CG2-CD 4.43Å; I544-K580 HydrophobicContact CG2-CG 4.3Å
545	E	90.2	Very high	90.9	Very high	118 Å²	118	45.6 Å²	45.6	55%	0.551	26%	0.255	S	S	*	.	H	α-helix	trans	-83.7	-32	-170.9	-61.1	-172.4	149.3	0	0	112.9	K541 Y576 K580	K541-E545 WeakPolarHBondContact O-CB 3.49Å; K541-E545 WeakPolarHBondContact O-CG 3.27Å; K541-E545 PolarHBondContact O-N 2.81Å; E545-Y576 VanDerWaalsContact CG-OH 3.31Å; E545-Y576 WeakPolarHBondContact CG-OH 3.29Å; E545-Y576 PolarHBondContact OE1-OH 3.14Å; E545-K580 IonicContact OE1-NZ 3.44Å; E545-K580 PolarHBondContact OE1-NZ 3.49Å
546	V	87.7	Confident	90.8	Very high	64 Å²	64	52.1 Å²	52.1	39%	0.388	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-46.3	-177.9	-174.5	0	0	0	0	111	F511 F542 G548	F511-V546 HydrophobicContact CD1-CG1 3.93Å; F511-V546 HydrophobicContact CD2-CG1 4.21Å; F511-V546 HydrophobicContact CE1-CG1 3.69Å; F511-V546 HydrophobicContact CE2-CG1 4Å; F511-V546 WeakPolarHBondContact CE2-O 3.23Å; F511-V546 HydrophobicContact CG-CG1 4.18Å; F511-V546 HydrophobicContact CZ-CG1 3.72Å; F511-V546 WeakPolarHBondContact CZ-O 3.33Å; F542-V546 HydrophobicContact CD2-CB 4.09Å; F542-V546 HydrophobicContact CD2-CG2 3.88Å; F542-V546 HydrophobicContact CE1-CB 4.4Å; F542-V546 HydrophobicContact CE1-CG1 4.39Å; F542-V546 HydrophobicContact CE2-CB 3.9Å; F542-V546 HydrophobicContact CE2-CG1 3.88Å; F542-V546 HydrophobicContact CE2-CG2 3.88Å; F542-V546 HydrophobicContact CG-CB 4.41Å; F542-V546 HydrophobicContact CZ-CB 4.06Å; F542-V546 HydrophobicContact CZ-CG1 3.77Å; F542-V546 WeakPolarHBondContact O-CA 3.34Å; F542-V546 WeakPolarHBondContact O-CB 3.41Å; F542-V546 PolarHBondContact O-N 3.26Å; V546-G548 VanDerWaalsContact C-N 3.3Å; V546-G548 PolarHBondContact O-N 3.06Å
547	G	79.1	Confident	90.6	Very high	14 Å²	14	58.6 Å²	58.6	14%	0.144	29%	0.294	C	S	.	.	S	Bend	trans	-70.3	-19.1	-175.7	0	0	0	0	0	115.2	F542 F543 V549	F542-G547 PolarHBondContact O-N 3.37Å; F543-G547 CarbonylContact O-C 3.6Å; F543-G547 WeakPolarHBondContact O-CA 3.25Å; F543-G547 PolarHBondContact O-N 2.71Å; G547-V549 VanDerWaalsContact C-N 3.28Å; G547-V549 PolarHBondContact O-N 2.93Å
548	G	82.6	Confident	90.5	Very high	60 Å²	60	59.1 Å²	59.1	62%	0.619	31%	0.309	S	S	*	.			trans	61.4	34.4	179.5	0	0	0	0	0	113.5	F543 V546	F543-G548 PolarHBondContact O-N 3.07Å; V546-G548 VanDerWaalsContact C-N 3.3Å; V546-G548 PolarHBondContact O-N 3.06Å
549	V	88.6	Confident	90.4	Very high	15 Å²	15	58.6 Å²	58.6	9%	0.091	30%	0.304	C	S	.	.			trans	-78.8	157.8	-174.8	-58.7	0	0	0	0	113.6	F517 N518 L528 F543 G547 L551	F517-V549 HydrophobicContact CB-CG1 3.54Å; F517-V549 WeakPolarHBondContact O-CG1 3.33Å; N518-V549 WeakPolarHBondContact OD1-CA 3.36Å; L528-V549 HydrophobicContact CB-CG2 4.46Å; L528-V549 HydrophobicContact CD2-CG2 3.87Å; F543-V549 HydrophobicContact CB-CG2 4.04Å; F543-V549 HydrophobicContact CD1-CG1 3.83Å; F543-V549 WeakPolarHBondContact O-CG2 3.27Å; F543-V549 PolarHBondContact O-N 3.48Å; G547-V549 VanDerWaalsContact C-N 3.28Å; G547-V549 PolarHBondContact O-N 2.93Å; V549-L551 PolarHBondContact O-N 3.35Å
550	K	87.4	Confident	90.4	Very high	152 Å²	152	60.2 Å²	60.2	66%	0.661	31%	0.314	S	S	*	.			trans	-60.3	133.6	167.2	-64.5	178.4	-176.9	176.8	0	109.2	N518 P553	N518-K550 PolarHBondContact OD1-N 3.01Å; K550-P553 VanDerWaalsContact O-CD 3.3Å; K550-P553 WeakPolarHBondContact O-CD 3.34Å
551	L	88.3	Confident	90.4	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.147	31%	0.314	C	S	.	.	S	Bend	trans	-78.3	-35.2	-177.6	-67	173.8	0	0	0	113.1	I544 V549 P553 L581 F584	I544-L551 HydrophobicContact CB-CD2 4.4Å; I544-L551 HydrophobicContact CD1-CD2 3.67Å; I544-L551 HydrophobicContact CG1-CD2 3.69Å; I544-L551 HydrophobicContact CG2-CD2 3.91Å; V549-L551 PolarHBondContact O-N 3.35Å; L551-P553 VanDerWaalsContact O-CD 3.3Å; L551-P553 WeakPolarHBondContact O-CD 3.14Å; L551-L581 HydrophobicContact CB-CD2 3.78Å; L551-L581 HydrophobicContact CD1-CD2 4.09Å; L551-F584 HydrophobicContact CD1-CB 4.09Å; L551-F584 HydrophobicContact CD1-CD2 4.41Å; L551-F584 HydrophobicContact CD1-CG 4.26Å
552	N	89.6	Confident	90.4	Very high	84 Å²	84	57.9 Å²	57.9	45%	0.449	31%	0.305	S	S	.	.	S	Bend	trans	-119.6	57.8	-179.5	-67.8	-22.1	0	0	0	112.5	T560 L581	N552-T560 HydrophobicContact CB-CG2 4.47Å; N552-L581 VanDerWaalsContact ND2-CD2 3.26Å; N552-L581 WeakPolarHBondContact ND2-CD2 3.43Å; N552-L581 WeakPolarHBondContact OD1-CD2 3.34Å
553	P	90.7	Very high	90.5	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.123	31%	0.313	C	S	.	.			trans	-64.5	146.8	164.4	28.6	-28.6	0	0	0	108.6	T526 H529 K550 L551 P561	T526-P553 HydrophobicContact CG2-CB 3.94Å; T526-P553 HydrophobicContact CG2-CG 4.02Å; H529-P553 PolarHBondContact CE1-O 3.05Å; H529-P553 VanDerWaalsContact CE1-O 3.26Å; H529-P553 PolarHBondContact NE2-O 2.81Å; K550-P553 VanDerWaalsContact O-CD 3.3Å; K550-P553 WeakPolarHBondContact O-CD 3.34Å; L551-P553 VanDerWaalsContact O-CD 3.3Å; L551-P553 WeakPolarHBondContact O-CD 3.14Å; P553-P561 HydrophobicContact CG-CG 3.89Å
554	I	92.7	Very high	90.5	Very high	119 Å²	119	59.1 Å²	59.1	61%	0.61	32%	0.315	S	S	*	.			trans	-111	126.6	179.7	-56.9	176.2	0	0	0	107.5	H559 T560	I554-H559 WeakPolarHBondContact CA-O 3.45Å; I554-T560 HydrophobicContact CG1-CG2 4.44Å
555	D	92.1	Very high	90.6	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.064	31%	0.309	C	S	.	.			trans	-83.4	-178.1	175.1	76.3	5.5	0	0	0	112.5	R525 W557 G558 H559	R525-D555 HydrophobicContact CG-CB 3.76Å; D555-W557 PolarHBondContact O-N 3.34Å; D555-W557 WeakPolarHBondContact OD1-CA 3.46Å; D555-W557 PolarHBondContact OD1-N 3.24Å; D555-G558 PolarHBondContact O-N 3.37Å; D555-G558 VanDerWaalsContact O-N 3.09Å; D555-G558 PolarHBondContact OD1-N 2.89Å; D555-G558 VanDerWaalsContact OD1-N 3.09Å; D555-H559 PolarHBondContact N-O 3.14Å; D555-H559 WeakPolarHBondContact OD1-CB 3.29Å; D555-H559 PolarHBondContact OD1-N 3.5Å
556	R	90.5	Very high	90.8	Very high	168 Å²	168	57.2 Å²	57.2	63%	0.634	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.7	178.8	-178.8	-175.3	-69.3	-150	1.9	113.6	Y522 D523	Y522-R556 PolarHBondContact O-NH2 3.35Å; D523-R556 WeakPolarHBondContact O-CB 3.48Å; D523-R556 PolarHBondContact O-N 3.03Å; D523-R556 IonicContact OD1-CZ 3.13Å; D523-R556 IonicContact OD1-NE 2.83Å
557	W	91.3	Very high	91.1	Very high	144 Å²	144	60 Å²	60	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.1	-178.7	-60	-79.4	0	0	0	113	D523 R525 D555 H559	D523-W557 HydrophobicContact CB-CH2 3.69Å; D523-W557 HydrophobicContact CB-CZ3 3.66Å; D523-W557 WeakPolarHBondContact OD2-CH2 3.46Å; R525-W557 HydrophobicContact CG-CZ3 4.5Å; D555-W557 PolarHBondContact O-N 3.34Å; D555-W557 WeakPolarHBondContact OD1-CA 3.46Å; D555-W557 PolarHBondContact OD1-N 3.24Å; W557-H559 VanDerWaalsContact C-N 3.26Å
558	G	91	Very high	91.7	Very high	51 Å²	51	64.9 Å²	64.9	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	79.9	10.7	-177.5	0	0	0	0	0	113.1	D555	D555-G558 PolarHBondContact O-N 3.37Å; D555-G558 VanDerWaalsContact O-N 3.09Å; D555-G558 PolarHBondContact OD1-N 2.89Å; D555-G558 VanDerWaalsContact OD1-N 3.09Å
559	H	93.6	Very high	92.3	Very high	64 Å²	64	64.4 Å²	64.4	30%	0.296	33%	0.325	S	S	.	.			trans	-85.1	151.1	179.7	-66.1	179.6	0	0	0	110.9	H529 I554 D555 W557 S563 D564 Q567	H529-H559 PolarHBondContact NE2-O 3.44Å; I554-H559 WeakPolarHBondContact CA-O 3.45Å; D555-H559 PolarHBondContact N-O 3.14Å; D555-H559 WeakPolarHBondContact OD1-CB 3.29Å; D555-H559 PolarHBondContact OD1-N 3.5Å; W557-H559 VanDerWaalsContact C-N 3.26Å; H559-S563 WeakPolarHBondContact CA-OG 3.44Å; H559-S563 WeakPolarHBondContact CB-OG 2.72Å; H559-D564 IonicContact CG-OD1 3.3Å; H559-D564 IonicContact ND1-OD1 3.62Å; H559-Q567 PolarHBondContact CE1-OE1 2.95Å
560	T	95.2	Very high	92.6	Very high	33 Å²	33	66.1 Å²	66.1	20%	0.202	33%	0.333	C	S	.	.			trans	-110.6	164.1	171.1	60.6	0	0	0	0	109.1	N552 I554 L562 S563 D564	N552-T560 HydrophobicContact CB-CG2 4.47Å; I554-T560 HydrophobicContact CG1-CG2 4.44Å; T560-L562 PolarHBondContact O-N 3.29Å; T560-L562 VanDerWaalsContact O-N 3.11Å; T560-S563 PolarHBondContact N-OG 3.41Å; T560-S563 PolarHBondContact O-N 3.03Å; T560-S563 PolarHBondContact O-OG 2.92Å; T560-S563 PolarHBondContact OG1-N 3.41Å; T560-S563 PolarHBondContact OG1-OG 3.14Å; T560-D564 PolarHBondContact O-N 2.67Å
561	P	94.9	Very high	92.9	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.2	-31.3	174.7	-25.6	35.3	0	0	0	113.2	L528 H529 A532 P553 A565 L577	L528-P561 HydrophobicContact CB-CG 4.19Å; L528-P561 HydrophobicContact CD2-CB 4.16Å; L528-P561 HydrophobicContact CD2-CG 3.86Å; L528-P561 HydrophobicContact CG-CB 3.8Å; L528-P561 HydrophobicContact CG-CG 3.78Å; H529-P561 WeakPolarHBondContact NE2-CD 3.18Å; A532-P561 HydrophobicContact CB-CB 4Å; A532-P561 VanDerWaalsContact CB-O 3.25Å; A532-P561 WeakPolarHBondContact CB-O 3.22Å; P553-P561 HydrophobicContact CG-CG 3.89Å; P561-A565 WeakPolarHBondContact O-CB 3.4Å; P561-A565 PolarHBondContact O-N 3.5Å; P561-L577 HydrophobicContact CB-CD1 4.38Å
562	L	94.6	Very high	93.1	Very high	24 Å²	24	72 Å²	72	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-69.3	-41.2	174.9	179.9	63	0	0	0	112.1	T560 D564 A565 K566 I574 L577 E578 L581	T560-L562 PolarHBondContact O-N 3.29Å; T560-L562 VanDerWaalsContact O-N 3.11Å; L562-D564 VanDerWaalsContact C-N 3.32Å; L562-A565 PolarHBondContact O-N 3.09Å; L562-K566 HydrophobicContact CG-CD 4.43Å; L562-K566 WeakPolarHBondContact O-CG 3.49Å; L562-K566 PolarHBondContact O-N 3.48Å; L562-I574 HydrophobicContact CD1-CB 4.45Å; L562-I574 HydrophobicContact CD1-CG2 4.05Å; L562-L577 HydrophobicContact CB-CD1 4.29Å; L562-L577 HydrophobicContact CD1-CB 3.95Å; L562-L577 HydrophobicContact CD1-CD1 4.35Å; L562-E578 HydrophobicContact CD1-CG 3.88Å; L562-E578 HydrophobicContact CD2-CG 4Å; L562-L581 HydrophobicContact CD2-CD1 3.92Å
563	S	94.5	Very high	93.3	Very high	38 Å²	38	68.2 Å²	68.2	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-37.3	176.8	63.2	0	0	0	0	111.4	H559 T560 K566 Q567	H559-S563 WeakPolarHBondContact CA-OG 3.44Å; H559-S563 WeakPolarHBondContact CB-OG 2.72Å; T560-S563 PolarHBondContact N-OG 3.41Å; T560-S563 PolarHBondContact O-N 3.03Å; T560-S563 PolarHBondContact O-OG 2.92Å; T560-S563 PolarHBondContact OG1-N 3.41Å; T560-S563 PolarHBondContact OG1-OG 3.14Å; S563-K566 PolarHBondContact O-N 3.5Å; S563-Q567 WeakPolarHBondContact O-CB 3.49Å; S563-Q567 PolarHBondContact O-N 3.41Å
564	D	93.8	Very high	93.4	Very high	9 Å²	9	68.6 Å²	68.6	5%	0.048	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-48	173.5	-78.7	-3	0	0	0	111.2	H529 H559 T560 L562 K566 Q567 F568	H529-D564 IonicContact CD2-OD2 2.71Å; H529-D564 PolarHBondContact CD2-OD2 3.08Å; H559-D564 IonicContact CG-OD1 3.3Å; H559-D564 IonicContact ND1-OD1 3.62Å; T560-D564 PolarHBondContact O-N 2.67Å; L562-D564 VanDerWaalsContact C-N 3.32Å; D564-K566 VanDerWaalsContact C-N 3.27Å; D564-K566 PolarHBondContact O-N 3.42Å; D564-Q567 PolarHBondContact O-N 3.34Å; D564-F568 VanDerWaalsContact O-CD2 3.27Å; D564-F568 WeakPolarHBondContact O-CD2 3.1Å; D564-F568 PolarHBondContact O-N 3.43Å
565	A	95	Very high	93.5	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-39.6	176.4	0	0	0	0	0	112.2	A532 P561 L562 G569 H570 I573 I574 L577	A532-A565 HydrophobicContact CB-CB 4.32Å; P561-A565 WeakPolarHBondContact O-CB 3.4Å; P561-A565 PolarHBondContact O-N 3.5Å; L562-A565 PolarHBondContact O-N 3.09Å; A565-G569 PolarHBondContact O-N 3.47Å; A565-H570 PolarHBondContact O-N 3.31Å; A565-I573 HydrophobicContact CB-CB 4.29Å; A565-I573 HydrophobicContact CB-CG2 3.78Å; A565-I574 HydrophobicContact CB-CG1 3.81Å; A565-L577 HydrophobicContact CB-CD1 4.4Å
566	K	94.6	Very high	93.5	Very high	104 Å²	104	70.3 Å²	70.3	45%	0.452	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-45.6	174.9	-75.5	179.4	179.3	-176	0	112.2	L562 S563 D564 F568 G569 I574 E578	L562-K566 HydrophobicContact CG-CD 4.43Å; L562-K566 WeakPolarHBondContact O-CG 3.49Å; L562-K566 PolarHBondContact O-N 3.48Å; S563-K566 PolarHBondContact O-N 3.5Å; D564-K566 VanDerWaalsContact C-N 3.27Å; D564-K566 PolarHBondContact O-N 3.42Å; K566-F568 VanDerWaalsContact C-N 3.32Å; K566-F568 PolarHBondContact O-N 3.39Å; K566-G569 PolarHBondContact O-N 3.04Å; K566-I574 HydrophobicContact CB-CD1 4.35Å; K566-I574 HydrophobicContact CG-CD1 3.78Å; K566-I574 HydrophobicContact CG-CG1 3.93Å; K566-I574 HydrophobicContact CG-CG2 4.2Å; K566-E578 WeakPolarHBondContact CE-OE1 3.34Å; K566-E578 IonicContact NZ-OE1 3.66Å; K566-E578 PolarHBondContact NZ-OE1 2.74Å
567	Q	93.2	Very high	93.6	Very high	122 Å²	122	62.4 Å²	62.4	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-40.1	-179.2	-178.1	177	-4.4	0	0	112	H559 S563 D564	H559-Q567 PolarHBondContact CE1-OE1 2.95Å; S563-Q567 WeakPolarHBondContact O-CB 3.49Å; S563-Q567 PolarHBondContact O-N 3.41Å; D564-Q567 PolarHBondContact O-N 3.34Å
568	F	92.5	Very high	93.6	Very high	116 Å²	116	59.3 Å²	59.3	51%	0.509	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.8	179.8	-67.8	-76.4	0	0	0	114.1	D564 K566 H570	D564-F568 VanDerWaalsContact O-CD2 3.27Å; D564-F568 WeakPolarHBondContact O-CD2 3.1Å; D564-F568 PolarHBondContact O-N 3.43Å; K566-F568 VanDerWaalsContact C-N 3.32Å; K566-F568 PolarHBondContact O-N 3.39Å; F568-H570 WeakPolarHBondContact CB-NE2 3.38Å
569	G	93.7	Very high	93.5	Very high	50 Å²	50	59.6 Å²	59.6	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	28.7	171.9	0	0	0	0	0	115.5	A565 K566 E571	A565-G569 PolarHBondContact O-N 3.47Å; K566-G569 PolarHBondContact O-N 3.04Å; G569-E571 PolarHBondContact O-N 2.95Å; G569-E571 VanDerWaalsContact O-N 3.13Å
570	H	95.2	Very high	93.2	Very high	52 Å²	52	59.1 Å²	59.1	24%	0.241	30%	0.296	C	S	.	.			trans	-87.7	72.9	-177.1	-61	-59.6	0	0	0	112.4	A532 S533 G535 A565 F568 K572 I573 I574	A532-H570 PolarHBondContact O-CD2 3.23Å; S533-H570 PolarHBondContact O-CD2 3.14Å; S533-H570 PolarHBondContact O-NE2 3.28Å; G535-H570 VanDerWaalsContact CA-CE1 3.48Å; G535-H570 WeakPolarHBondContact CA-CE1 3.5Å; G535-H570 WeakPolarHBondContact CA-ND1 3.43Å; G535-H570 PolarHBondContact N-NE2 3.08Å; A565-H570 PolarHBondContact O-N 3.31Å; F568-H570 WeakPolarHBondContact CB-NE2 3.38Å; H570-K572 VanDerWaalsContact C-N 3.34Å; H570-K572 PolarHBondContact O-N 3.38Å; H570-I573 HydrophobicContact CB-CB 4.15Å; H570-I573 HydrophobicContact CB-CD1 4.09Å; H570-I573 HydrophobicContact CB-CG1 4.34Å; H570-I573 WeakPolarHBondContact O-CB 3.28Å; H570-I573 PolarHBondContact O-N 2.99Å; H570-I574 WeakPolarHBondContact O-CG1 3.32Å; H570-I574 PolarHBondContact O-N 3.49Å
571	E	93.3	Very high	92.7	Very high	147 Å²	147	59.3 Å²	59.3	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-46.6	-48.1	-173.7	-68	-177.6	169.5	0	0	114.5	G569 I573 I574 E575	G569-E571 PolarHBondContact O-N 2.95Å; G569-E571 VanDerWaalsContact O-N 3.13Å; E571-I573 PolarHBondContact O-N 2.8Å; E571-I574 WeakPolarHBondContact O-CB 3.28Å; E571-I574 PolarHBondContact O-N 2.8Å; E571-I574 VanDerWaalsContact O-N 3.12Å; E571-E575 PolarHBondContact O-N 2.71Å
572	K	93.4	Very high	92.1	Very high	157 Å²	157	65 Å²	65	68%	0.683	33%	0.326	S	S	*	.	H	α-helix	trans	-61.5	-31.7	-179.9	-65.6	-176.7	-178.7	177.2	0	113.5	L537 H570 Y576	L537-K572 HydrophobicContact CD2-CB 4.27Å; L537-K572 HydrophobicContact CD2-CD 4.45Å; H570-K572 VanDerWaalsContact C-N 3.34Å; H570-K572 PolarHBondContact O-N 3.38Å; K572-Y576 WeakPolarHBondContact O-CB 3.04Å; K572-Y576 PolarHBondContact O-N 2.83Å
573	I	93.4	Very high	91.2	Very high	3 Å²	3	69 Å²	69	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-78.9	-39.3	177.5	-66	177.9	0	0	0	109.8	A532 G535 L537 V540 A565 H570 E571 Y576 L577	A532-I573 HydrophobicContact CB-CG2 4.3Å; G535-I573 VanDerWaalsContact C-CD1 3.49Å; L537-I573 HydrophobicContact CB-CG1 4.23Å; L537-I573 HydrophobicContact CD1-CG1 3.8Å; V540-I573 HydrophobicContact CG1-CG2 4.33Å; V540-I573 HydrophobicContact CG2-CD1 4.14Å; V540-I573 HydrophobicContact CG2-CG2 4.12Å; A565-I573 HydrophobicContact CB-CB 4.29Å; A565-I573 HydrophobicContact CB-CG2 3.78Å; H570-I573 HydrophobicContact CB-CB 4.15Å; H570-I573 HydrophobicContact CB-CD1 4.09Å; H570-I573 HydrophobicContact CB-CG1 4.34Å; H570-I573 WeakPolarHBondContact O-CB 3.28Å; H570-I573 PolarHBondContact O-N 2.99Å; E571-I573 PolarHBondContact O-N 2.8Å; I573-Y576 PolarHBondContact O-N 2.72Å; I573-L577 HydrophobicContact CG2-CD1 3.68Å; I573-L577 HydrophobicContact CG2-CG 4.05Å; I573-L577 WeakPolarHBondContact O-CB 3.37Å; I573-L577 WeakPolarHBondContact O-CG 3.36Å; I573-L577 PolarHBondContact O-N 3.05Å
574	I	93.3	Very high	90.1	Very high	27 Å²	27	73.2 Å²	73.2	14%	0.138	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-54.4	176.6	-62.4	165.5	0	0	0	109.8	L562 A565 K566 H570 E571 Y576 L577 E578	L562-I574 HydrophobicContact CD1-CB 4.45Å; L562-I574 HydrophobicContact CD1-CG2 4.05Å; A565-I574 HydrophobicContact CB-CG1 3.81Å; K566-I574 HydrophobicContact CB-CD1 4.35Å; K566-I574 HydrophobicContact CG-CD1 3.78Å; K566-I574 HydrophobicContact CG-CG1 3.93Å; K566-I574 HydrophobicContact CG-CG2 4.2Å; H570-I574 WeakPolarHBondContact O-CG1 3.32Å; H570-I574 PolarHBondContact O-N 3.49Å; E571-I574 WeakPolarHBondContact O-CB 3.28Å; E571-I574 PolarHBondContact O-N 2.8Å; E571-I574 VanDerWaalsContact O-N 3.12Å; I574-Y576 VanDerWaalsContact C-N 3.27Å; I574-Y576 PolarHBondContact O-N 2.73Å; I574-L577 PolarHBondContact O-N 3.26Å; I574-E578 HydrophobicContact CG2-CG 4.38Å; I574-E578 WeakPolarHBondContact O-CB 3.33Å; I574-E578 WeakPolarHBondContact O-CG 3.43Å; I574-E578 PolarHBondContact O-N 3.5Å
575	E	93.7	Very high	88.8	Confident	134 Å²	134	75.7 Å²	75.7	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-55.9	-43.9	177.8	-71	178.6	174.4	0	0	111.4	E571 S579	E571-E575 PolarHBondContact O-N 2.71Å; E575-S579 WeakPolarHBondContact O-CB 3.26Å; E575-S579 PolarHBondContact O-N 3.13Å; E575-S579 PolarHBondContact O-OG 2.98Å
576	Y	93.3	Very high	87.6	Confident	33 Å²	33	82.6 Å²	82.6	13%	0.129	41%	0.409	C	S	.	.	H	α-helix	trans	-65.6	-47.6	-180	-175.1	-103.3	0	0	0	112.3	V540 K541 I544 E545 K572 I573 I574 S579 K580	V540-Y576 HydrophobicContact CG1-CD1 3.95Å; V540-Y576 HydrophobicContact CG1-CE1 4.2Å; K541-Y576 HydrophobicContact CB-CE1 4.43Å; K541-Y576 HydrophobicContact CG-CD1 4.32Å; K541-Y576 HydrophobicContact CG-CE1 3.74Å; K541-Y576 HydrophobicContact CG-CE2 4.02Å; I544-Y576 HydrophobicContact CD1-CD1 4.47Å; I544-Y576 HydrophobicContact CD1-CE1 4Å; E545-Y576 VanDerWaalsContact CG-OH 3.31Å; E545-Y576 WeakPolarHBondContact CG-OH 3.29Å; E545-Y576 PolarHBondContact OE1-OH 3.14Å; K572-Y576 WeakPolarHBondContact O-CB 3.04Å; K572-Y576 PolarHBondContact O-N 2.83Å; I573-Y576 PolarHBondContact O-N 2.72Å; I574-Y576 VanDerWaalsContact C-N 3.27Å; I574-Y576 PolarHBondContact O-N 2.73Å; Y576-S579 PolarHBondContact O-N 3.41Å; Y576-S579 PolarHBondContact O-OG 2.94Å; Y576-K580 HydrophobicContact CE1-CG 4.21Å; Y576-K580 HydrophobicContact CE2-CG 4.47Å; Y576-K580 WeakPolarHBondContact O-CG 3.43Å; Y576-K580 PolarHBondContact O-N 3.11Å; Y576-K580 VanDerWaalsContact O-N 3.13Å; Y576-K580 WeakPolarHBondContact OH-CE 3.41Å
577	L	91.4	Very high	85.9	Confident	3 Å²	3	82 Å²	82	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-44.1	178.7	-74	175.7	0	0	0	111.8	V540 I544 P561 L562 A565 I573 I574 S579 K580 L581	V540-L577 HydrophobicContact CG1-CD2 4.04Å; V540-L577 HydrophobicContact CG1-CG 4.4Å; I544-L577 HydrophobicContact CD1-CD2 3.46Å; I544-L577 VanDerWaalsContact CD1-CD2 3.46Å; P561-L577 HydrophobicContact CB-CD1 4.38Å; L562-L577 HydrophobicContact CB-CD1 4.29Å; L562-L577 HydrophobicContact CD1-CB 3.95Å; L562-L577 HydrophobicContact CD1-CD1 4.35Å; A565-L577 HydrophobicContact CB-CD1 4.4Å; I573-L577 HydrophobicContact CG2-CD1 3.68Å; I573-L577 HydrophobicContact CG2-CG 4.05Å; I573-L577 WeakPolarHBondContact O-CB 3.37Å; I573-L577 WeakPolarHBondContact O-CG 3.36Å; I573-L577 PolarHBondContact O-N 3.05Å; I574-L577 PolarHBondContact O-N 3.26Å; L577-S579 VanDerWaalsContact C-N 3.33Å; L577-S579 PolarHBondContact O-N 3.32Å; L577-K580 PolarHBondContact O-N 2.75Å; L577-L581 WeakPolarHBondContact O-CB 3.48Å; L577-L581 WeakPolarHBondContact O-CG 3.38Å; L577-L581 PolarHBondContact O-N 3.16Å
578	E	91.6	Very high	84.2	Confident	78 Å²	78	78.8 Å²	78.8	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.7	-73	-177.9	166.7	0	0	111.4	L562 K566 I574 K580 L581 L582	L562-E578 HydrophobicContact CD1-CG 3.88Å; L562-E578 HydrophobicContact CD2-CG 4Å; K566-E578 WeakPolarHBondContact CE-OE1 3.34Å; K566-E578 IonicContact NZ-OE1 3.66Å; K566-E578 PolarHBondContact NZ-OE1 2.74Å; I574-E578 HydrophobicContact CG2-CG 4.38Å; I574-E578 WeakPolarHBondContact O-CB 3.33Å; I574-E578 WeakPolarHBondContact O-CG 3.43Å; I574-E578 PolarHBondContact O-N 3.5Å; E578-K580 PolarHBondContact O-N 2.88Å; E578-L581 PolarHBondContact O-N 2.85Å; E578-L582 WeakPolarHBondContact O-CB 3.49Å; E578-L582 WeakPolarHBondContact O-CG 3.34Å; E578-L582 PolarHBondContact O-N 3.16Å
579	S	90.4	Very high	82.6	Confident	57 Å²	57	77.9 Å²	77.9	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-42.8	176.6	78.6	0	0	0	0	112.5	E575 Y576 L577 L583	E575-S579 WeakPolarHBondContact O-CB 3.26Å; E575-S579 PolarHBondContact O-N 3.13Å; E575-S579 PolarHBondContact O-OG 2.98Å; Y576-S579 PolarHBondContact O-N 3.41Å; Y576-S579 PolarHBondContact O-OG 2.94Å; L577-S579 VanDerWaalsContact C-N 3.33Å; L577-S579 PolarHBondContact O-N 3.32Å; S579-L583 PolarHBondContact O-N 3.16Å; S579-L583 VanDerWaalsContact O-N 3.09Å
580	K	87.3	Confident	80.9	Confident	55 Å²	55	80.1 Å²	80.1	24%	0.239	40%	0.403	C	S	.	.	H	α-helix	trans	-72.3	-35.3	179.7	-66.4	-67	-172.8	172	0	111.9	I544 E545 Y576 L577 E578 L583 F584	I544-K580 HydrophobicContact CG2-CD 4.43Å; I544-K580 HydrophobicContact CG2-CG 4.3Å; E545-K580 IonicContact OE1-NZ 3.44Å; E545-K580 PolarHBondContact OE1-NZ 3.49Å; Y576-K580 HydrophobicContact CE1-CG 4.21Å; Y576-K580 HydrophobicContact CE2-CG 4.47Å; Y576-K580 WeakPolarHBondContact O-CG 3.43Å; Y576-K580 PolarHBondContact O-N 3.11Å; Y576-K580 VanDerWaalsContact O-N 3.13Å; Y576-K580 WeakPolarHBondContact OH-CE 3.41Å; L577-K580 PolarHBondContact O-N 2.75Å; E578-K580 PolarHBondContact O-N 2.88Å; K580-L583 PolarHBondContact O-N 2.84Å; K580-F584 WeakPolarHBondContact O-CB 3.19Å; K580-F584 PolarHBondContact O-N 3.5Å
581	L	83.3	Confident	78.8	Confident	36 Å²	36	84.5 Å²	84.5	19%	0.188	43%	0.428	C	S	.	.	H	α-helix	trans	-65.6	-42.7	174.9	-76.9	169.5	0	0	0	112.4	L551 N552 L562 L577 E578 L583 F584 S585	L551-L581 HydrophobicContact CB-CD2 3.78Å; L551-L581 HydrophobicContact CD1-CD2 4.09Å; N552-L581 VanDerWaalsContact ND2-CD2 3.26Å; N552-L581 WeakPolarHBondContact ND2-CD2 3.43Å; N552-L581 WeakPolarHBondContact OD1-CD2 3.34Å; L562-L581 HydrophobicContact CD2-CD1 3.92Å; L577-L581 WeakPolarHBondContact O-CB 3.48Å; L577-L581 WeakPolarHBondContact O-CG 3.38Å; L577-L581 PolarHBondContact O-N 3.16Å; E578-L581 PolarHBondContact O-N 2.85Å; L581-L583 VanDerWaalsContact C-N 3.32Å; L581-F584 PolarHBondContact O-N 3.34Å; L581-S585 PolarHBondContact O-N 2.67Å
582	L	82	Confident	76.7	Confident	120 Å²	120	85 Å²	85	63%	0.628	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-41.9	173	-78.3	163.7	0	0	0	111.6	E578 F584 S585 F586	E578-L582 WeakPolarHBondContact O-CB 3.49Å; E578-L582 WeakPolarHBondContact O-CG 3.34Å; E578-L582 PolarHBondContact O-N 3.16Å; L582-F584 VanDerWaalsContact C-N 3.32Å; L582-F584 PolarHBondContact O-N 3.15Å; L582-S585 PolarHBondContact O-N 3.15Å; L582-S585 PolarHBondContact O-OG 3.18Å; L582-F586 WeakPolarHBondContact O-CB 3.49Å; L582-F586 PolarHBondContact O-N 2.99Å
583	L	76.8	Confident	74.1	Confident	109 Å²	109	84.1 Å²	84.1	57%	0.571	45%	0.448	S	S	*	.	H	α-helix	trans	-64.4	-40.3	178.1	-145.5	115.9	0	0	0	111.6	S579 K580 L581 F586 L587	S579-L583 PolarHBondContact O-N 3.16Å; S579-L583 VanDerWaalsContact O-N 3.09Å; K580-L583 PolarHBondContact O-N 2.84Å; L581-L583 VanDerWaalsContact C-N 3.32Å; L583-F586 PolarHBondContact O-N 3.39Å; L583-L587 HydrophobicContact CD2-CD1 4.08Å; L583-L587 WeakPolarHBondContact O-CG 3.5Å; L583-L587 PolarHBondContact O-N 3.12Å; L583-L587 VanDerWaalsContact O-N 3.08Å
584	F	70.3	Confident	73.1	Confident	126 Å²	126	88.2 Å²	88.2	55%	0.553	47%	0.47	S	S	*	.	H	α-helix	trans	-67	-41.5	177.9	-166	-95.3	0	0	0	112.3	L551 K580 L581 L582 L587 C588	L551-F584 HydrophobicContact CD1-CB 4.09Å; L551-F584 HydrophobicContact CD1-CD2 4.41Å; L551-F584 HydrophobicContact CD1-CG 4.26Å; K580-F584 WeakPolarHBondContact O-CB 3.19Å; K580-F584 PolarHBondContact O-N 3.5Å; L581-F584 PolarHBondContact O-N 3.34Å; L582-F584 VanDerWaalsContact C-N 3.32Å; L582-F584 PolarHBondContact O-N 3.15Å; F584-L587 PolarHBondContact O-N 3.23Å; F584-C588 PolarHBondContact O-N 3.23Å
585	S	67.4	Low	72.1	Confident	60 Å²	60	91.4 Å²	91.4	42%	0.42	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-40.2	176.1	67.9	0	0	0	0	111.9	L581 L582 L587 C588 T589	L581-S585 PolarHBondContact O-N 2.67Å; L582-S585 PolarHBondContact O-N 3.15Å; L582-S585 PolarHBondContact O-OG 3.18Å; S585-L587 PolarHBondContact O-N 3.35Å; S585-C588 PolarHBondContact O-N 3.36Å; S585-T589 PolarHBondContact O-N 3.01Å; S585-T589 PolarHBondContact O-OG1 3.44Å
586	F	69.1	Low	70.9	Confident	146 Å²	146	89.1 Å²	89.1	64%	0.64	48%	0.48	S	S	*	.	H	α-helix	trans	-62.7	-43.7	177.3	-152	-98.9	0	0	0	111.9	L582 L583 T589 I590	L582-F586 WeakPolarHBondContact O-CB 3.49Å; L582-F586 PolarHBondContact O-N 2.99Å; L583-F586 PolarHBondContact O-N 3.39Å; F586-T589 PolarHBondContact O-N 3.02Å; F586-I590 HydrophobicContact CD1-CD1 3.7Å; F586-I590 HydrophobicContact CE1-CD1 3.72Å; F586-I590 WeakPolarHBondContact O-CG1 3.47Å; F586-I590 PolarHBondContact O-N 2.89Å; F586-I590 VanDerWaalsContact O-N 3.16Å
587	L	59.8	Low	69.6	Low	92 Å²	92	92.4 Å²	92.4	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-42.6	175.5	-80.9	161.6	0	0	0	112.9	L583 F584 S585 T589 I590 L591	L583-L587 HydrophobicContact CD2-CD1 4.08Å; L583-L587 WeakPolarHBondContact O-CG 3.5Å; L583-L587 PolarHBondContact O-N 3.12Å; L583-L587 VanDerWaalsContact O-N 3.08Å; F584-L587 PolarHBondContact O-N 3.23Å; S585-L587 PolarHBondContact O-N 3.35Å; L587-T589 VanDerWaalsContact C-N 3.28Å; L587-T589 PolarHBondContact O-N 3.12Å; L587-I590 PolarHBondContact O-N 2.89Å; L587-L591 PolarHBondContact O-N 2.81Å
588	C	56.9	Low	68.2	Low	54 Å²	54	97.9 Å²	97.9	37%	0.365	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-36.2	174.8	-83.6	0	0	0	0	112.3	F584 S585 L591 L592	F584-C588 PolarHBondContact O-N 3.23Å; S585-C588 PolarHBondContact O-N 3.36Å; C588-L591 PolarHBondContact O-N 2.75Å; C588-L592 WeakPolarHBondContact O-CB 3.2Å; C588-L592 WeakPolarHBondContact O-CD1 3.4Å; C588-L592 WeakPolarHBondContact O-CG 3.26Å; C588-L592 PolarHBondContact O-N 2.81Å; C588-L592 VanDerWaalsContact O-N 3.14Å
589	T	58.9	Low	66.6	Low	97 Å²	97	99.3 Å²	99.3	60%	0.595	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-36.2	-179.5	-42.2	0	0	0	0	111.6	S585 F586 L587 S593	S585-T589 PolarHBondContact O-N 3.01Å; S585-T589 PolarHBondContact O-OG1 3.44Å; F586-T589 PolarHBondContact O-N 3.02Å; L587-T589 VanDerWaalsContact C-N 3.28Å; L587-T589 PolarHBondContact O-N 3.12Å; T589-S593 PolarHBondContact O-N 3.22Å; T589-S593 PolarHBondContact O-OG 3.28Å
590	I	58.6	Low	64.9	Low	96 Å²	96	102.3 Å²	102.3	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-74.2	-31.9	176.4	-66	169.9	0	0	0	112.3	F586 L587 S593	F586-I590 HydrophobicContact CD1-CD1 3.7Å; F586-I590 HydrophobicContact CE1-CD1 3.72Å; F586-I590 WeakPolarHBondContact O-CG1 3.47Å; F586-I590 PolarHBondContact O-N 2.89Å; F586-I590 VanDerWaalsContact O-N 3.16Å; L587-I590 PolarHBondContact O-N 2.89Å; I590-S593 PolarHBondContact O-OG 3.39Å; I590-S593 VanDerWaalsContact O-OXT 3.08Å
591	L	50.3	Low	63.2	Low	145 Å²	145	105.9 Å²	105.9	76%	0.759	58%	0.576	S	S	*	*	H	α-helix	trans	-78.9	-20.1	177.9	-82.3	161.2	0	0	0	113.6	L587 C588	L587-L591 PolarHBondContact O-N 2.81Å; C588-L591 PolarHBondContact O-N 2.75Å
592	L	48.8	Very low	61.6	Low	158 Å²	158	111.8 Å²	111.8	83%	0.827	61%	0.608	S	S	*	*	H	α-helix	trans	-92.2	-12.6	176.5	-77.2	163.1	0	0	0	113.2	C588	C588-L592 WeakPolarHBondContact O-CB 3.2Å; C588-L592 WeakPolarHBondContact O-CD1 3.4Å; C588-L592 WeakPolarHBondContact O-CG 3.26Å; C588-L592 PolarHBondContact O-N 2.81Å; C588-L592 VanDerWaalsContact O-N 3.14Å
593	S	39.8	Very low	59.7	Low	138 Å²	138	111 Å²	111	97%	0.965	61%	0.606	S	S	*	*			trans	-91.5	0	169	63.9	0	0	0	0	111	T589 I590	T589-S593 PolarHBondContact O-N 3.22Å; T589-S593 PolarHBondContact O-OG 3.28Å; I590-S593 PolarHBondContact O-OG 3.39Å; I590-S593 VanDerWaalsContact O-OXT 3.08Å

Retrieved 593 of 593 residues in 325.5 ms (Link to these results)

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