A0A087Y4J2_POEFO Loading...

Glutamate dehydrogenase 1, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y4J2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	31	Very low	229 Å²	229	162.9 Å²	162.9	100%	1.128	79%	0.793	S	S	*	*				0	121.9	0	-84.5	178.8	-153.5	0	0	108.1
2	Y	31.5	Very low	30.5	Very low	204 Å²	204	155.1 Å²	155.1	80%	0.8	79%	0.786	S	S	*	*			trans	45.7	140.4	156.4	-68.3	-80.7	0	0	0	120
3	R	33.4	Very low	30.4	Very low	208 Å²	208	151.4 Å²	151.4	79%	0.785	79%	0.794	S	S	*	*			cis	-174.2	138.9	-12.5	-137.8	-174.7	-169.4	164.4	-3.6	104.4
4	N	36.4	Very low	30.1	Very low	140 Å²	140	146.6 Å²	146.6	75%	0.749	80%	0.799	S	S	*	*			trans	20	131.9	156.2	-61.8	-12.4	0	0	0	122.1
5	L	32.8	Very low	29.7	Very low	176 Å²	176	141.5 Å²	141.5	92%	0.921	79%	0.794	S	S	*	*				172.8	156	106.7	-114.5	107.2	0	0	0	112
6	G	27.9	Very low	29.6	Very low	63 Å²	63	144 Å²	144	65%	0.649	80%	0.804	S	S	*	*			trans	110.4	95	152.5	0	0	0	0	0	115.1
7	E	29.9	Very low	29.5	Very low	165 Å²	165	145.8 Å²	145.8	77%	0.771	81%	0.81	S	S	*	*				90.3	119	72.9	-83.6	-159.2	147.4	0	0	114.9
8	L	28.6	Very low	29.4	Very low	132 Å²	132	143.4 Å²	143.4	69%	0.691	81%	0.812	S	S	*	*			trans	57.6	136.8	130.8	-85.2	89.7	0	0	0	118.6
9	L	30	Very low	29.3	Very low	125 Å²	125	141.6 Å²	141.6	65%	0.654	81%	0.81	S	S	*	*			cis	-176.4	143.3	33	-105.7	152.7	0	0	0	109.4
10	T	29.4	Very low	29.2	Very low	107 Å²	107	139.7 Å²	139.7	66%	0.656	81%	0.812	S	S	*	*			trans	66.1	146	139	55.4	0	0	0	0	120.5
11	R	29.1	Very low	29	Very low	243 Å²	243	137.6 Å²	137.6	92%	0.917	81%	0.811	S	S	*	*			cis	-169.5	154.9	17.5	-126	162.3	-171.4	-167.4	3	108.7
12	G	26	Very low	28.9	Very low	69 Å²	69	134.8 Å²	134.8	71%	0.711	80%	0.801	S	S	*	*			trans	139.6	73.8	161.3	0	0	0	0	0	112.6
13	A	28.5	Very low	28.7	Very low	107 Å²	107	130.3 Å²	130.3	88%	0.884	80%	0.799	S	S	*	*				55.1	88.4	101.3	0	0	0	0	0	112.1
14	G	25.9	Very low	28.6	Very low	84 Å²	84	125.3 Å²	125.3	87%	0.866	80%	0.802	S	S	*	*				100.9	128.4	98.7	0	0	0	0	0	109.6
15	G	25.2	Very low	28.2	Very low	70 Å²	70	126.2 Å²	126.2	72%	0.722	81%	0.806	S	S	*	*			cis	-173.1	-179	0.1	0	0	0	0	0	109.5
16	L	28	Very low	27.9	Very low	182 Å²	182	122.6 Å²	122.6	95%	0.953	79%	0.793	S	S	*	*			trans	121.5	105.9	161.9	-71.4	157.7	0	0	0	113.8
17	L	27.8	Very low	27.9	Very low	175 Å²	175	123.5 Å²	123.5	92%	0.916	79%	0.794	S	S	*	*			trans	-62.9	135.4	173.8	-75.4	137.2	0	0	0	111.5
18	A	27.9	Very low	27.8	Very low	102 Å²	102	119.7 Å²	119.7	84%	0.843	79%	0.786	S	S	*	*			trans	-144.1	107.6	144.7	0	0	0	0	0	108.3
19	S	26.4	Very low	27.7	Very low	110 Å²	110	117.3 Å²	117.3	77%	0.769	79%	0.785	S	S	*	*			trans	-66.1	143.5	176.4	50	0	0	0	0	111.5
20	A	27.3	Very low	27.5	Very low	102 Å²	102	115.4 Å²	115.4	84%	0.843	78%	0.783	S	S	*	*			trans	-50.4	133.9	166.5	0	0	0	0	0	112.3
21	A	26.5	Very low	27.3	Very low	97 Å²	97	117.5 Å²	117.5	80%	0.802	79%	0.789	S	S	*	*			trans	-138.4	109.6	150.6	0	0	0	0	0	106.8	S23	A21-S23 PolarHBondContact O-N 3.49Å
22	D	28.6	Very low	27.3	Very low	170 Å²	170	111.7 Å²	111.7	91%	0.909	78%	0.776	S	S	*	*			trans	-53.8	129.6	165.7	-88.5	-44.7	0	0	0	110.3
23	S	26.7	Very low	27.5	Very low	110 Å²	110	118.4 Å²	118.4	77%	0.769	78%	0.78	S	S	*	*			trans	-138.6	102	151.9	66.5	0	0	0	0	108.4	A21 L25	A21-S23 PolarHBondContact O-N 3.49Å; S23-L25 PolarHBondContact O-N 3.34Å
24	A	31	Very low	27.9	Very low	103 Å²	103	123.9 Å²	123.9	85%	0.851	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-54	121.1	173.3	0	0	0	0	0	111.2
25	L	28.2	Very low	28.3	Very low	158 Å²	158	128.4 Å²	128.4	83%	0.827	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-87.8	137.5	161.8	-78.3	160.9	0	0	0	108.5	S23 A27	S23-L25 PolarHBondContact O-N 3.34Å; L25-A27 PolarHBondContact O-N 3.45Å
26	P	27	Very low	28.8	Very low	100 Å²	100	128.2 Å²	128.2	65%	0.649	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.4	-171.7	26.8	-31.4	0	0	0	111.3	S28	P26-S28 PolarHBondContact O-N 2.85Å
27	A	27	Very low	29.3	Very low	82 Å²	82	121.1 Å²	121.1	68%	0.678	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	24.7	180	0	0	0	0	0	115	L25	L25-A27 PolarHBondContact O-N 3.45Å
28	S	28.5	Very low	30	Very low	86 Å²	86	115.4 Å²	115.4	60%	0.601	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-9.3	-175.2	57.7	0	0	0	0	114.8	P26	P26-S28 PolarHBondContact O-N 2.85Å
29	A	26.3	Very low	30.3	Very low	81 Å²	81	118.8 Å²	118.8	67%	0.669	70%	0.701	S	S	*	*	S	Bend	trans	-90.6	-14.5	-179.5	0	0	0	0	0	114.5
30	S	25.6	Very low	30.8	Very low	86 Å²	86	114.4 Å²	114.4	60%	0.601	67%	0.672	S	S	*	*	S	Bend	trans	-92	-17.6	-175.5	52.8	0	0	0	0	114.3
31	L	26.3	Very low	31.4	Very low	150 Å²	150	112.3 Å²	112.3	79%	0.785	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-6.7	-176.6	-79	159.6	0	0	0	114.6
32	L	29	Very low	31.9	Very low	122 Å²	122	114.2 Å²	114.2	64%	0.639	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-9.8	174.6	-84.1	156.6	0	0	0	113.2
33	R	29.6	Very low	32.5	Very low	210 Å²	210	116.4 Å²	116.4	79%	0.792	65%	0.647	S	S	*	*	S	Bend	trans	-85.3	127.7	170.8	-72.2	-175.1	-179.7	-171.3	-0.1	108.3
34	Y	36.3	Very low	33.9	Very low	221 Å²	221	114.5 Å²	114.5	87%	0.867	64%	0.644	S	S	*	*			trans	78.6	80.6	174.2	-87.7	-99.6	0	0	0	117.7
35	R	35.7	Very low	35.6	Very low	180 Å²	180	110.5 Å²	110.5	68%	0.679	61%	0.609	S	S	*	*			trans	-122.9	95.7	140.1	-72.1	-174.1	179.8	176.9	1.1	107.4	A62	R35-A62 PolarHBondContact NH1-O 2.8Å
36	G	34.6	Very low	38.3	Very low	65 Å²	65	108.2 Å²	108.2	67%	0.67	60%	0.597	S	S	*	*			trans	-70.1	166.3	-175.1	0	0	0	0	0	113.3	S38	G36-S38 PolarHBondContact O-N 2.96Å
37	Y	39.3	Very low	41.2	Very low	33 Å²	33	104.1 Å²	104.1	13%	0.129	57%	0.571	C	S	.	*			trans	-54.7	133.6	167.4	-61.4	-78.3	0	0	0	108.9	F56 R59 P394 D397 R398	Y37-F56 AromaticContact CE1-CD1 3.84Å; Y37-F56 HydrophobicContact CE1-CD1 3.84Å; Y37-F56 AromaticContact CE1-CE1 3.86Å; Y37-F56 HydrophobicContact CE1-CE1 3.86Å; Y37-R59 PolarHBondContact OH-NH1 3.41Å; Y37-P394 HydrophobicContact CD1-CB 3.71Å; Y37-P394 HydrophobicContact CD1-CG 4.31Å; Y37-P394 HydrophobicContact CD2-CB 3.93Å; Y37-P394 HydrophobicContact CE1-CB 3.59Å; Y37-P394 HydrophobicContact CE1-CG 4.27Å; Y37-P394 HydrophobicContact CE2-CB 3.83Å; Y37-P394 WeakPolarHBondContact CE2-O 3.49Å; Y37-P394 HydrophobicContact CG-CB 3.88Å; Y37-P394 PolarHBondContact OH-O 3.32Å; Y37-D397 PolarHBondContact OH-OD2 3.45Å; Y37-R398 HydrophobicContact CE2-CB 4.47Å
38	S	41.2	Very low	44.4	Very low	56 Å²	56	103.3 Å²	103.3	39%	0.392	56%	0.555	S	S	.	*			trans	-61.5	174.6	169.6	65.9	0	0	0	0	109.9	G36 A40 A41 D58	G36-S38 PolarHBondContact O-N 2.96Å; S38-A40 WeakPolarHBondContact O-CA 3.34Å; S38-A40 PolarHBondContact O-N 3.47Å; S38-A41 PolarHBondContact O-N 3.35Å; S38-D58 PolarHBondContact OG-OD2 3.18Å
39	Q	35.5	Very low	47.5	Very low	172 Å²	172	99.6 Å²	99.6	80%	0.804	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-38.7	-0.7	-168.7	-72.8	-179.5	-17.4	0	0	120.3	A41 D42	Q39-A41 PolarHBondContact O-N 3.02Å; Q39-D42 PolarHBondContact O-N 3.28Å
40	A	37.7	Very low	50.8	Low	18 Å²	18	96.4 Å²	96.4	15%	0.149	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-55	-21.3	161.9	0	0	0	0	0	114	S38 D42 T51	S38-A40 WeakPolarHBondContact O-CA 3.34Å; S38-A40 PolarHBondContact O-N 3.47Å; A40-D42 VanDerWaalsContact C-N 3.33Å; A40-D42 PolarHBondContact O-N 2.94Å; A40-T51 HydrophobicContact CB-CG2 4.13Å
41	A	39.4	Very low	54	Low	59 Å²	59	94.8 Å²	94.8	49%	0.488	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-75.2	-13.4	178.9	0	0	0	0	0	114.7	S38 Q39	S38-A41 PolarHBondContact O-N 3.35Å; Q39-A41 PolarHBondContact O-N 3.02Å
42	D	36.9	Very low	57.3	Low	137 Å²	137	87.7 Å²	87.7	73%	0.733	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-90.6	2.5	-169.7	-91.6	-16.8	0	0	0	115.1	Q39 A40	Q39-D42 PolarHBondContact O-N 3.28Å; A40-D42 VanDerWaalsContact C-N 3.33Å; A40-D42 PolarHBondContact O-N 2.94Å
43	R	41	Very low	60.6	Low	216 Å²	216	82 Å²	82	82%	0.815	42%	0.419	S	S	*	.	S	Bend	trans	-140	80.3	-177.7	-64.3	-170.8	-171	-174.1	3.7	114.2
44	G	55.1	Low	63.7	Low	69 Å²	69	74 Å²	74	71%	0.711	39%	0.39	S	S	*	.			trans	63	177.2	162.4	0	0	0	0	0	116.3	D46	G44-D46 PolarHBondContact O-N 3.35Å
45	D	68.4	Low	66.6	Low	20 Å²	20	63.5 Å²	63.5	11%	0.107	35%	0.35	C	S	.	.	S	Bend	trans	-81.5	11.9	-175	-157	23.7	0	0	0	113.9	T372 Q373 R374	D45-T372 VanDerWaalsContact CG-CB 3.44Å; D45-T372 VanDerWaalsContact OD1-CB 3.28Å; D45-T372 WeakPolarHBondContact OD1-CB 3.43Å; D45-T372 WeakPolarHBondContact OD2-CB 3.22Å; D45-T372 PolarHBondContact OD2-OG1 3.12Å; D45-Q373 WeakPolarHBondContact OD1-CB 3.32Å; D45-Q373 PolarHBondContact OD1-N 2.91Å; D45-Q373 PolarHBondContact OD2-N 3.24Å; D45-R374 WeakPolarHBondContact OD2-CB 3.44Å; D45-R374 WeakPolarHBondContact OD2-CD 3.42Å; D45-R374 WeakPolarHBondContact OD2-CG 3.28Å; D45-R374 PolarHBondContact OD2-N 3.06Å; D45-R374 IonicContact OD2-NE 2.81Å
46	D	83.6	Confident	69.5	Low	110 Å²	110	55.2 Å²	55.2	59%	0.588	32%	0.318	S	S	*	.	S	Bend	trans	-133.1	73.1	179	-173	25.8	0	0	0	110.6	G44 K369	G44-D46 PolarHBondContact O-N 3.35Å; D46-K369 WeakPolarHBondContact OD1-CD 3.34Å; D46-K369 WeakPolarHBondContact OD1-CE 3.45Å; D46-K369 IonicContact OD1-NZ 3.01Å; D46-K369 PolarHBondContact OD1-NZ 3.26Å; D46-K369 IonicContact OD2-NZ 3.5Å
47	P	88.3	Confident	72.6	Confident	14 Å²	14	52.1 Å²	52.1	9%	0.091	29%	0.287	C	S	.	.			trans	-66.5	152.1	-177.9	28	-34.8	0	0	0	111.3	F49 M52 T393	P47-F49 PolarHBondContact O-N 3.16Å; P47-M52 HydrophobicContact CG-CB 4.37Å; P47-M52 HydrophobicContact CG-CG 4.27Å; P47-M52 HydrophobicContact CG-SD 3.99Å; P47-T393 HydrophobicContact CG-CG2 4.31Å
48	N	94.3	Very high	75.4	Confident	65 Å²	65	52.9 Å²	52.9	35%	0.348	29%	0.293	S	S	.	.			trans	-54.6	127.7	167.8	-179.1	-77.5	0	0	0	109.1	F50 T51 M52 D142	N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.83Å; N48-F50 WeakPolarHBondContact OD1-CB 3.42Å; N48-F50 PolarHBondContact OD1-N 3.28Å; N48-T51 PolarHBondContact O-N 3.15Å; N48-T51 PolarHBondContact OD1-N 3.26Å; N48-M52 WeakPolarHBondContact O-CB 3.47Å; N48-M52 PolarHBondContact O-N 3.05Å; N48-D142 PolarHBondContact ND2-OD2 3.26Å
49	F	94.1	Very high	78	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-35.6	-170.2	-168.2	-169.3	0	0	0	112.1	P47 M52 V53 E143 A146 L147 L150 E368	P47-F49 PolarHBondContact O-N 3.16Å; F49-M52 HydrophobicContact CD2-CE 3.49Å; F49-M52 VanDerWaalsContact CD2-CE 3.49Å; F49-M52 HydrophobicContact CD2-SD 4.49Å; F49-M52 HydrophobicContact CE2-CE 3.43Å; F49-M52 VanDerWaalsContact CE2-CE 3.43Å; F49-M52 WeakPolarHBondContact O-CB 3.38Å; F49-M52 PolarHBondContact O-N 2.97Å; F49-V53 HydrophobicContact CD2-CG2 4.19Å; F49-V53 HydrophobicContact CE2-CG2 4.06Å; F49-V53 WeakPolarHBondContact O-CG2 3.22Å; F49-V53 PolarHBondContact O-N 3.25Å; F49-E143 HydrophobicContact CD1-CB 4.46Å; F49-E143 HydrophobicContact CD1-CG 3.95Å; F49-E143 HydrophobicContact CE1-CG 4.3Å; F49-A146 HydrophobicContact CB-CB 3.9Å; F49-A146 HydrophobicContact CD1-CB 3.68Å; F49-A146 HydrophobicContact CD2-CB 3.85Å; F49-A146 HydrophobicContact CE1-CB 4.16Å; F49-A146 HydrophobicContact CE2-CB 4.29Å; F49-A146 HydrophobicContact CG-CB 3.51Å; F49-A146 HydrophobicContact CZ-CB 4.44Å; F49-L147 HydrophobicContact CE1-CD1 4.48Å; F49-L147 HydrophobicContact CE1-CD2 3.74Å; F49-L147 HydrophobicContact CE1-CG 3.81Å; F49-L147 HydrophobicContact CZ-CD2 3.93Å; F49-L147 HydrophobicContact CZ-CG 4.41Å; F49-L150 HydrophobicContact CE2-CD1 4.25Å; F49-L150 HydrophobicContact CZ-CD1 4.08Å; F49-E368 HydrophobicContact CD1-CB 4.41Å; F49-E368 HydrophobicContact CD1-CG 3.91Å; F49-E368 HydrophobicContact CE1-CB 3.76Å; F49-E368 HydrophobicContact CE1-CG 3.66Å; F49-E368 HydrophobicContact CE2-CB 4.26Å; F49-E368 HydrophobicContact CZ-CB 3.67Å; F49-E368 HydrophobicContact CZ-CG 4.09Å
50	F	94.4	Very high	81	Confident	14 Å²	14	45 Å²	45	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-47.7	178.4	-174.1	-113.2	0	0	0	111.1	N48 M52 V53 E54 K145 A146	N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.83Å; N48-F50 WeakPolarHBondContact OD1-CB 3.42Å; N48-F50 PolarHBondContact OD1-N 3.28Å; F50-M52 PolarHBondContact O-N 2.71Å; F50-V53 PolarHBondContact O-N 3.16Å; F50-V53 VanDerWaalsContact O-N 3.13Å; F50-E54 HydrophobicContact CD1-CG 4.38Å; F50-E54 HydrophobicContact CE1-CG 4.08Å; F50-E54 HydrophobicContact CZ-CG 4.27Å; F50-E54 PolarHBondContact O-N 3.15Å; F50-K145 HydrophobicContact CD2-CB 3.64Å; F50-K145 HydrophobicContact CE2-CB 4.02Å; F50-K145 HydrophobicContact CG-CB 4.11Å; F50-A146 HydrophobicContact CB-CB 4.22Å; F50-A146 HydrophobicContact CD2-CB 4.44Å
51	T	94.4	Very high	83.9	Confident	52 Å²	52	44.6 Å²	44.6	32%	0.319	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-32.7	176.7	-50.1	0	0	0	0	112.3	A40 N48 E54 G55	A40-T51 HydrophobicContact CB-CG2 4.13Å; N48-T51 PolarHBondContact O-N 3.15Å; N48-T51 PolarHBondContact OD1-N 3.26Å; T51-E54 PolarHBondContact O-N 3.05Å; T51-G55 PolarHBondContact O-N 3.34Å
52	M	95.1	Very high	86.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-48.4	173	-172.6	179.7	88.9	0	0	111.7	P47 N48 F49 F50 G55 F56 K369 T393 P394	P47-M52 HydrophobicContact CG-CB 4.37Å; P47-M52 HydrophobicContact CG-CG 4.27Å; P47-M52 HydrophobicContact CG-SD 3.99Å; N48-M52 WeakPolarHBondContact O-CB 3.47Å; N48-M52 PolarHBondContact O-N 3.05Å; F49-M52 HydrophobicContact CD2-CE 3.49Å; F49-M52 VanDerWaalsContact CD2-CE 3.49Å; F49-M52 HydrophobicContact CD2-SD 4.49Å; F49-M52 HydrophobicContact CE2-CE 3.43Å; F49-M52 VanDerWaalsContact CE2-CE 3.43Å; F49-M52 WeakPolarHBondContact O-CB 3.38Å; F49-M52 PolarHBondContact O-N 2.97Å; F50-M52 PolarHBondContact O-N 2.71Å; M52-G55 PolarHBondContact O-N 3.49Å; M52-F56 HydrophobicContact CE-CE2 4.17Å; M52-F56 HydrophobicContact CG-CE2 3.98Å; M52-F56 HydrophobicContact CG-CZ 4.37Å; M52-F56 WeakPolarHBondContact O-CD2 3.39Å; M52-F56 PolarHBondContact O-N 3.13Å; M52-K369 HydrophobicContact CE-CG 4.44Å; M52-K369 HydrophobicContact SD-CG 4.17Å; M52-T393 HydrophobicContact SD-CG2 4.41Å; M52-P394 HydrophobicContact CG-CG 3.66Å
53	V	96.8	Very high	89.5	Confident	2 Å²	2	39 Å²	39	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-38.1	178	177.6	0	0	0	0	111.2	F49 F50 G55 F56 F57 A146 S149 L150 Y153	F49-V53 HydrophobicContact CD2-CG2 4.19Å; F49-V53 HydrophobicContact CE2-CG2 4.06Å; F49-V53 WeakPolarHBondContact O-CG2 3.22Å; F49-V53 PolarHBondContact O-N 3.25Å; F50-V53 PolarHBondContact O-N 3.16Å; F50-V53 VanDerWaalsContact O-N 3.13Å; V53-G55 VanDerWaalsContact C-N 3.3Å; V53-G55 PolarHBondContact O-N 2.96Å; V53-F56 PolarHBondContact O-N 3.3Å; V53-F57 PolarHBondContact O-N 2.93Å; V53-A146 HydrophobicContact CG2-CB 4.19Å; V53-S149 WeakPolarHBondContact CG1-OG 3.48Å; V53-L150 HydrophobicContact CG1-CD2 3.98Å; V53-L150 HydrophobicContact CG1-CG 4.05Å; V53-L150 HydrophobicContact CG2-CD1 4.02Å; V53-L150 HydrophobicContact CG2-CD2 4.08Å; V53-L150 HydrophobicContact CG2-CG 3.85Å; V53-Y153 HydrophobicContact CG1-CD2 4.5Å; V53-Y153 HydrophobicContact CG1-CE2 4.09Å
54	E	95.9	Very high	92.2	Very high	42 Å²	42	28.7 Å²	28.7	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-38.1	172.4	-71.5	-171.2	128.9	0	0	112.3	F50 T51 F57 D58 K93	F50-E54 HydrophobicContact CD1-CG 4.38Å; F50-E54 HydrophobicContact CE1-CG 4.08Å; F50-E54 HydrophobicContact CZ-CG 4.27Å; F50-E54 PolarHBondContact O-N 3.15Å; T51-E54 PolarHBondContact O-N 3.05Å; E54-F57 WeakPolarHBondContact O-CB 3.27Å; E54-F57 PolarHBondContact O-N 3.02Å; E54-D58 WeakPolarHBondContact O-CB 3.45Å; E54-D58 PolarHBondContact O-N 3.41Å; E54-K93 WeakPolarHBondContact OE1-CE 3.36Å
55	G	96.4	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-40.5	176.4	0	0	0	0	0	112.6	T51 M52 V53 D58 R59	T51-G55 PolarHBondContact O-N 3.34Å; M52-G55 PolarHBondContact O-N 3.49Å; V53-G55 VanDerWaalsContact C-N 3.3Å; V53-G55 PolarHBondContact O-N 2.96Å; G55-D58 PolarHBondContact O-N 2.73Å; G55-R59 PolarHBondContact O-N 3.47Å; G55-R59 VanDerWaalsContact O-N 3.16Å
56	F	97.7	Very high	95.5	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.022	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-39.4	173.3	-60.8	-50.1	0	0	0	112.4	Y37 M52 V53 R59 G60 P394 R518 Y522	Y37-F56 AromaticContact CE1-CD1 3.84Å; Y37-F56 HydrophobicContact CE1-CD1 3.84Å; Y37-F56 AromaticContact CE1-CE1 3.86Å; Y37-F56 HydrophobicContact CE1-CE1 3.86Å; M52-F56 HydrophobicContact CE-CE2 4.17Å; M52-F56 HydrophobicContact CG-CE2 3.98Å; M52-F56 HydrophobicContact CG-CZ 4.37Å; M52-F56 WeakPolarHBondContact O-CD2 3.39Å; M52-F56 PolarHBondContact O-N 3.13Å; V53-F56 PolarHBondContact O-N 3.3Å; F56-R59 PolarHBondContact O-N 3.01Å; F56-G60 PolarHBondContact O-N 3.41Å; F56-P394 HydrophobicContact CE1-CB 4.24Å; F56-P394 HydrophobicContact CE1-CG 3.87Å; F56-P394 HydrophobicContact CZ-CG 3.8Å; F56-R518 VanDerWaalsContact CD1-CD 3.42Å; F56-R518 VanDerWaalsContact CE1-CD 3.45Å; F56-Y522 HydrophobicContact CB-CD2 3.79Å; F56-Y522 HydrophobicContact CB-CE1 4.23Å; F56-Y522 HydrophobicContact CB-CE2 3.19Å; F56-Y522 VanDerWaalsContact CB-CZ 3.44Å; F56-Y522 HydrophobicContact CD2-CE2 4.35Å; F56-Y522 HydrophobicContact CG-CE2 4.02Å
57	F	98.3	Very high	96.1	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-48	173.4	178.2	-84.5	0	0	0	111.7	V53 E54 R59 G60 A61 L89 I92 K93 Y153 Y522 I526	V53-F57 PolarHBondContact O-N 2.93Å; E54-F57 WeakPolarHBondContact O-CB 3.27Å; E54-F57 PolarHBondContact O-N 3.02Å; F57-R59 VanDerWaalsContact C-N 3.26Å; F57-R59 PolarHBondContact O-N 3.3Å; F57-G60 PolarHBondContact O-N 3.19Å; F57-G60 VanDerWaalsContact O-N 3.16Å; F57-A61 HydrophobicContact CD1-CB 4.35Å; F57-A61 HydrophobicContact CE1-CB 4.13Å; F57-A61 WeakPolarHBondContact O-CB 3.47Å; F57-A61 PolarHBondContact O-N 3.05Å; F57-L89 HydrophobicContact CE1-CB 4.39Å; F57-L89 HydrophobicContact CE1-CD2 4.39Å; F57-L89 HydrophobicContact CZ-CB 4.49Å; F57-L89 HydrophobicContact CZ-CD2 3.94Å; F57-I92 HydrophobicContact CE2-CB 4.44Å; F57-I92 HydrophobicContact CE2-CG2 3.62Å; F57-I92 HydrophobicContact CZ-CB 4.16Å; F57-I92 HydrophobicContact CZ-CG2 3.84Å; F57-K93 HydrophobicContact CD1-CD 3.73Å; F57-K93 HydrophobicContact CD1-CG 3.42Å; F57-K93 VanDerWaalsContact CD1-CG 3.42Å; F57-K93 HydrophobicContact CE1-CD 3.84Å; F57-K93 HydrophobicContact CE1-CG 3.36Å; F57-K93 HydrophobicContact CG-CG 4.16Å; F57-K93 HydrophobicContact CZ-CG 4.02Å; F57-Y153 HydrophobicContact CD2-CD1 4.49Å; F57-Y153 AromaticContact CD2-CE1 3.62Å; F57-Y153 HydrophobicContact CD2-CE1 3.62Å; F57-Y153 HydrophobicContact CD2-CE2 4.23Å; F57-Y153 AromaticContact CD2-CZ 3.45Å; F57-Y153 VanDerWaalsContact CD2-CZ 3.45Å; F57-Y153 VanDerWaalsContact CD2-OH 3.27Å; F57-Y153 WeakPolarHBondContact CD2-OH 3.42Å; F57-Y153 AromaticContact CE2-CE1 3.77Å; F57-Y153 HydrophobicContact CE2-CE1 3.77Å; F57-Y153 AromaticContact CE2-CZ 3.98Å; F57-Y522 HydrophobicContact CB-CD1 4.22Å; F57-Y522 HydrophobicContact CB-CE1 4.12Å; F57-Y522 HydrophobicContact CD2-CD1 4.5Å; F57-I526 HydrophobicContact CD2-CD1 3.89Å; F57-I526 HydrophobicContact CD2-CG1 3.85Å; F57-I526 HydrophobicContact CE2-CD1 3.86Å; F57-I526 HydrophobicContact CE2-CG1 3.48Å; F57-I526 VanDerWaalsContact CE2-CG1 3.48Å; F57-I526 HydrophobicContact CG-CD1 4.31Å; F57-I526 HydrophobicContact CZ-CD1 4.2Å; F57-I526 HydrophobicContact CZ-CG1 4.05Å
58	D	98	Very high	96.5	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-60	-37.8	-179	-72.9	-21.4	0	0	0	111.5	S38 E54 G55 A61 A62 K93	S38-D58 PolarHBondContact OG-OD2 3.18Å; E54-D58 WeakPolarHBondContact O-CB 3.45Å; E54-D58 PolarHBondContact O-N 3.41Å; G55-D58 PolarHBondContact O-N 2.73Å; D58-A61 PolarHBondContact O-N 3.23Å; D58-A62 WeakPolarHBondContact O-CB 3.5Å; D58-A62 PolarHBondContact O-N 3.18Å; D58-K93 WeakPolarHBondContact OD1-CD 3.33Å; D58-K93 WeakPolarHBondContact OD1-CE 3.14Å; D58-K93 IonicContact OD1-NZ 3.97Å; D58-K93 PolarHBondContact OD1-NZ 3.16Å; D58-K93 IonicContact OD2-NZ 3.58Å; D58-K93 PolarHBondContact OD2-NZ 2.76Å
59	R	97.3	Very high	96.6	Very high	61 Å²	61	24.5 Å²	24.5	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-47.1	175.1	-173.4	174.9	175.8	164.8	-3.1	112	Y37 G55 F56 F57 A62 D516 T519	Y37-R59 PolarHBondContact OH-NH1 3.41Å; G55-R59 PolarHBondContact O-N 3.47Å; G55-R59 VanDerWaalsContact O-N 3.16Å; F56-R59 PolarHBondContact O-N 3.01Å; F57-R59 VanDerWaalsContact C-N 3.26Å; F57-R59 PolarHBondContact O-N 3.3Å; R59-A62 PolarHBondContact O-N 2.86Å; R59-D516 IonicContact CZ-OD2 3.21Å; R59-D516 IonicContact NE-OD2 2.7Å; R59-D516 PolarHBondContact NE-OD2 3.17Å; R59-D516 IonicContact NH2-OD2 3.47Å; R59-D516 PolarHBondContact NH2-OD2 3.48Å; R59-T519 VanDerWaalsContact CD-OG1 3.28Å; R59-T519 WeakPolarHBondContact CD-OG1 3.32Å; R59-T519 HydrophobicContact CG-CG2 3.98Å; R59-T519 PolarHBondContact NE-OG1 3.12Å; R59-T519 VanDerWaalsContact NE-OG1 3.11Å
60	G	98	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-42.9	175.3	0	0	0	0	0	112.7	F56 F57 A62 I63 V64	F56-G60 PolarHBondContact O-N 3.41Å; F57-G60 PolarHBondContact O-N 3.19Å; F57-G60 VanDerWaalsContact O-N 3.16Å; G60-A62 VanDerWaalsContact C-N 3.31Å; G60-A62 PolarHBondContact O-N 2.87Å; G60-I63 PolarHBondContact O-N 2.73Å; G60-I63 VanDerWaalsContact O-N 3.16Å; G60-V64 PolarHBondContact O-N 2.91Å
61	A	97.9	Very high	96.6	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-42.9	177.5	0	0	0	0	0	111.7	F57 D58 I63 V64 E65 L89 I526	F57-A61 HydrophobicContact CD1-CB 4.35Å; F57-A61 HydrophobicContact CE1-CB 4.13Å; F57-A61 WeakPolarHBondContact O-CB 3.47Å; F57-A61 PolarHBondContact O-N 3.05Å; D58-A61 PolarHBondContact O-N 3.23Å; A61-I63 PolarHBondContact O-N 2.92Å; A61-V64 PolarHBondContact O-N 3.32Å; A61-E65 WeakPolarHBondContact O-CB 3.39Å; A61-E65 PolarHBondContact O-N 3.09Å; A61-L89 HydrophobicContact CB-CD1 4.11Å; A61-I526 HydrophobicContact CB-CD1 4.05Å; A61-I526 VanDerWaalsContact N-CD1 3.31Å
62	A	97.7	Very high	96.4	Very high	28 Å²	28	33.3 Å²	33.3	23%	0.231	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-25.2	179.5	0	0	0	0	0	113.9	R35 D58 R59 G60	R35-A62 PolarHBondContact NH1-O 2.8Å; D58-A62 WeakPolarHBondContact O-CB 3.5Å; D58-A62 PolarHBondContact O-N 3.18Å; R59-A62 PolarHBondContact O-N 2.86Å; G60-A62 VanDerWaalsContact C-N 3.31Å; G60-A62 PolarHBondContact O-N 2.87Å
63	I	97.6	Very high	96.1	Very high	50 Å²	50	45.2 Å²	45.2	26%	0.256	21%	0.214	S	C	.	.	H	α-helix	trans	-82.4	-40.5	177.6	-74.6	158.1	0	0	0	111.2	G60 A61 Y511 L513 T519 V523	G60-I63 PolarHBondContact O-N 2.73Å; G60-I63 VanDerWaalsContact O-N 3.16Å; A61-I63 PolarHBondContact O-N 2.92Å; I63-Y511 HydrophobicContact CG2-CD1 3.51Å; I63-Y511 HydrophobicContact CG2-CD2 4.13Å; I63-Y511 HydrophobicContact CG2-CE1 3.87Å; I63-Y511 HydrophobicContact CG2-CE2 4.45Å; I63-Y511 HydrophobicContact CG2-CG 3.64Å; I63-L513 HydrophobicContact CD1-CD2 3.78Å; I63-T519 HydrophobicContact CD1-CG2 3.14Å; I63-V523 HydrophobicContact CB-CG2 4.1Å; I63-V523 HydrophobicContact CG2-CG2 3.93Å
64	V	97.4	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-92.2	-11	-172.7	76.8	0	0	0	0	113.5	G60 A61 D66 K67 L68 V523 I526 E527	G60-V64 PolarHBondContact O-N 2.91Å; A61-V64 PolarHBondContact O-N 3.32Å; V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 2.55Å; V64-K67 HydrophobicContact CG2-CB 4.2Å; V64-K67 HydrophobicContact CG2-CD 4.4Å; V64-K67 WeakPolarHBondContact O-CB 3.36Å; V64-K67 PolarHBondContact O-N 3.41Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.1Å; V64-L68 HydrophobicContact CG2-CD2 4.23Å; V64-L68 HydrophobicContact CG2-CG 4.12Å; V64-L68 WeakPolarHBondContact O-CG 3.25Å; V64-L68 PolarHBondContact O-N 3.33Å; V64-V523 HydrophobicContact CB-CG1 4.1Å; V64-V523 HydrophobicContact CG2-CG1 4.06Å; V64-I526 HydrophobicContact CG1-CB 4.4Å; V64-I526 HydrophobicContact CG1-CG2 3.78Å; V64-E527 HydrophobicContact CG2-CG 3.56Å; V64-E527 VanDerWaalsContact CG2-OE1 3.23Å; V64-E527 WeakPolarHBondContact CG2-OE1 3.25Å
65	E	97.3	Very high	95.5	Very high	28 Å²	28	57.6 Å²	57.6	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-48	-50.1	-176.6	-173.4	-179.6	168.2	0	0	112.9	A61 K67 L68 V69 R82 V85 R86	A61-E65 WeakPolarHBondContact O-CB 3.39Å; A61-E65 PolarHBondContact O-N 3.09Å; E65-K67 PolarHBondContact O-N 2.89Å; E65-L68 PolarHBondContact O-N 3.08Å; E65-V69 WeakPolarHBondContact O-CG2 3.48Å; E65-V69 PolarHBondContact O-N 3.03Å; E65-R82 WeakPolarHBondContact OE1-CG 3.4Å; E65-R82 IonicContact OE1-NE 3.87Å; E65-V85 HydrophobicContact CG-CG1 4.18Å; E65-R86 IonicContact OE1-CZ 3.12Å; E65-R86 IonicContact OE1-NE 3.24Å; E65-R86 PolarHBondContact OE1-NE 3.14Å; E65-R86 IonicContact OE1-NH2 3.77Å; E65-R86 PolarHBondContact OE1-NH2 3.43Å; E65-R86 IonicContact OE2-NE 3.99Å; E65-R86 IonicContact OE2-NH2 3.59Å
66	D	95.4	Very high	95.3	Very high	87 Å²	87	60.4 Å²	60.4	47%	0.465	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-38.2	-177.6	-70.2	-37.9	0	0	0	112.1	V64 V69 E70 R82	V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 2.55Å; D66-V69 PolarHBondContact O-N 3.32Å; D66-E70 PolarHBondContact O-N 3.32Å; D66-R82 IonicContact OD1-CZ 3.99Å; D66-R82 IonicContact OD1-NH2 2.64Å; D66-R82 PolarHBondContact OD1-NH2 3.45Å
67	K	96.2	Very high	95.1	Very high	50 Å²	50	63.6 Å²	63.6	22%	0.217	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-42.8	173.8	-177.8	-179.7	172.6	-107.3	0	111.4	V64 E65 V69 E70 D71 Y511 E527	V64-K67 HydrophobicContact CG2-CB 4.2Å; V64-K67 HydrophobicContact CG2-CD 4.4Å; V64-K67 WeakPolarHBondContact O-CB 3.36Å; V64-K67 PolarHBondContact O-N 3.41Å; E65-K67 PolarHBondContact O-N 2.89Å; K67-V69 VanDerWaalsContact C-N 3.27Å; K67-V69 PolarHBondContact O-N 3.12Å; K67-E70 PolarHBondContact O-N 3.11Å; K67-D71 WeakPolarHBondContact CE-OD2 3.37Å; K67-D71 IonicContact NZ-OD2 2.67Å; K67-D71 PolarHBondContact NZ-OD2 3.27Å; K67-D71 WeakPolarHBondContact O-CB 3.27Å; K67-D71 PolarHBondContact O-N 3.25Å; K67-Y511 WeakPolarHBondContact CD-OH 3.47Å; K67-E527 WeakPolarHBondContact CD-OE1 3.29Å; K67-E527 IonicContact NZ-OE1 3.09Å; K67-E527 PolarHBondContact NZ-OE1 3.19Å; K67-E527 IonicContact NZ-OE2 3.81Å; K67-E527 PolarHBondContact NZ-OE2 3.13Å
68	L	96.6	Very high	94.8	Very high	5 Å²	5	68 Å²	68	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-35.1	177.6	-62.9	-179.4	0	0	0	112	V64 E65 L72 V85 L89 I526 E527 F530	V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 HydrophobicContact CG1-CG 4.1Å; V64-L68 HydrophobicContact CG2-CD2 4.23Å; V64-L68 HydrophobicContact CG2-CG 4.12Å; V64-L68 WeakPolarHBondContact O-CG 3.25Å; V64-L68 PolarHBondContact O-N 3.33Å; E65-L68 PolarHBondContact O-N 3.08Å; L68-L72 WeakPolarHBondContact O-CD1 2.78Å; L68-L72 WeakPolarHBondContact O-CG 3.15Å; L68-L72 PolarHBondContact O-N 2.9Å; L68-V85 HydrophobicContact CB-CG1 3.87Å; L68-V85 HydrophobicContact CB-CG2 3.96Å; L68-V85 HydrophobicContact CD1-CG1 3.92Å; L68-L89 HydrophobicContact CD1-CD1 4.48Å; L68-L89 HydrophobicContact CD1-CD2 4.27Å; L68-I526 HydrophobicContact CD1-CG2 4.16Å; L68-E527 HydrophobicContact CD2-CG 4.35Å; L68-F530 HydrophobicContact CB-CE1 4.24Å; L68-F530 HydrophobicContact CB-CZ 4.28Å; L68-F530 HydrophobicContact CD1-CB 4.41Å; L68-F530 HydrophobicContact CD1-CD1 4.36Å; L68-F530 HydrophobicContact CD1-CD2 3.79Å; L68-F530 HydrophobicContact CD1-CE2 4.11Å; L68-F530 HydrophobicContact CD1-CG 3.92Å; L68-F530 HydrophobicContact CD2-CB 4.29Å; L68-F530 HydrophobicContact CD2-CD1 3.73Å; L68-F530 HydrophobicContact CD2-CE1 4.23Å; L68-F530 HydrophobicContact CD2-CG 3.95Å; L68-F530 HydrophobicContact CG-CD1 4.42Å; L68-F530 HydrophobicContact CG-CG 4.45Å
69	V	96.3	Very high	94.6	Very high	20 Å²	20	71.4 Å²	71.4	12%	0.121	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-41.5	174.6	172.4	0	0	0	0	111.3	E65 D66 K67 K81 R82 V85	E65-V69 WeakPolarHBondContact O-CG2 3.48Å; E65-V69 PolarHBondContact O-N 3.03Å; D66-V69 PolarHBondContact O-N 3.32Å; K67-V69 VanDerWaalsContact C-N 3.27Å; K67-V69 PolarHBondContact O-N 3.12Å; V69-K81 HydrophobicContact CG1-CB 3.93Å; V69-R82 HydrophobicContact CG2-CB 4.02Å; V69-R82 HydrophobicContact CG2-CG 4.36Å; V69-V85 HydrophobicContact CG2-CB 4.19Å; V69-V85 HydrophobicContact CG2-CG2 3.66Å
70	E	94.1	Very high	94.5	Very high	156 Å²	156	73.2 Å²	73.2	73%	0.729	35%	0.351	S	S	*	.	H	α-helix	trans	-65.6	-45.6	177.6	-172.2	179.6	177.2	0	0	111.9	D66 K67 L72	D66-E70 PolarHBondContact O-N 3.32Å; K67-E70 PolarHBondContact O-N 3.11Å; E70-L72 PolarHBondContact O-N 3.32Å
71	D	93.1	Very high	94.3	Very high	93 Å²	93	75.1 Å²	75.1	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-18.5	-177.8	-74.6	-19.3	0	0	0	113	K67 R73	K67-D71 WeakPolarHBondContact CE-OD2 3.37Å; K67-D71 IonicContact NZ-OD2 2.67Å; K67-D71 PolarHBondContact NZ-OD2 3.27Å; K67-D71 WeakPolarHBondContact O-CB 3.27Å; K67-D71 PolarHBondContact O-N 3.25Å; D71-R73 PolarHBondContact O-N 2.99Å
72	L	91.6	Very high	94.3	Very high	11 Å²	11	79 Å²	79	6%	0.058	37%	0.372	C	S	.	.			trans	-68.9	101.2	177	-92.4	164.1	0	0	0	111.6	L68 E70 T74 K81 V85 F530	L68-L72 WeakPolarHBondContact O-CD1 2.78Å; L68-L72 WeakPolarHBondContact O-CG 3.15Å; L68-L72 PolarHBondContact O-N 2.9Å; E70-L72 PolarHBondContact O-N 3.32Å; L72-T74 VanDerWaalsContact C-N 3.29Å; L72-T74 HydrophobicContact CD2-CG2 4.03Å; L72-T74 PolarHBondContact O-N 3.39Å; L72-K81 HydrophobicContact CB-CD 4.19Å; L72-K81 HydrophobicContact CB-CG 4.5Å; L72-K81 HydrophobicContact CD1-CB 4.34Å; L72-K81 WeakPolarHBondContact O-CE 3.19Å; L72-K81 PolarHBondContact O-NZ 2.91Å; L72-V85 HydrophobicContact CD1-CG2 3.33Å; L72-F530 HydrophobicContact CD1-CZ 4.1Å; L72-F530 HydrophobicContact CG-CE1 4.39Å; L72-F530 HydrophobicContact CG-CZ 4.41Å
73	R	88	Confident	94.2	Very high	250 Å²	250	85 Å²	85	94%	0.943	39%	0.392	S	S	*	.			trans	-81.6	68.2	174.5	-61.4	-175.7	-176.5	-173.7	-0.1	111.9	D71	D71-R73 PolarHBondContact O-N 2.99Å
74	T	89.6	Confident	94	Very high	42 Å²	42	86 Å²	86	26%	0.258	39%	0.393	S	S	.	.			trans	-120.4	159.3	176.4	69.8	0	0	0	0	111.3	L72 E76 K81	L72-T74 VanDerWaalsContact C-N 3.29Å; L72-T74 HydrophobicContact CD2-CG2 4.03Å; L72-T74 PolarHBondContact O-N 3.39Å; T74-E76 WeakPolarHBondContact CB-OE2 3.4Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 WeakPolarHBondContact OG1-CB 3.09Å; T74-E76 PolarHBondContact OG1-OE2 3.35Å; T74-K81 WeakPolarHBondContact O-CE 3.45Å; T74-K81 WeakPolarHBondContact OG1-CE 3.33Å
75	R	90.8	Very high	94	Very high	262 Å²	262	86 Å²	86	99%	0.989	39%	0.393	S	S	*	.	S	Bend	trans	-77.8	1.4	173.3	-63.7	-176.7	-179	175.7	0.2	113.1
76	E	92.1	Very high	94	Very high	60 Å²	60	90.3 Å²	90.3	28%	0.28	41%	0.408	S	S	.	.	S	Bend	trans	-70.6	152.9	-178.6	-62.8	163.7	148.5	0	0	111	T74 Q80 K81 R84	T74-E76 WeakPolarHBondContact CB-OE2 3.4Å; T74-E76 PolarHBondContact O-N 3.42Å; T74-E76 WeakPolarHBondContact OG1-CB 3.09Å; T74-E76 PolarHBondContact OG1-OE2 3.35Å; E76-Q80 HydrophobicContact CB-CB 3.81Å; E76-Q80 HydrophobicContact CG-CB 4.48Å; E76-K81 HydrophobicContact CB-CG 4.12Å; E76-K81 WeakPolarHBondContact O-CE 3.19Å; E76-R84 IonicContact OE1-NH1 3.79Å; E76-R84 PolarHBondContact OE1-NH1 3.01Å; E76-R84 VanDerWaalsContact OE1-NH1 3.09Å; E76-R84 WeakPolarHBondContact OE2-CD 3.41Å; E76-R84 IonicContact OE2-NH1 3.95Å
77	T	93.8	Very high	94	Very high	72 Å²	72	87.5 Å²	87.5	44%	0.442	40%	0.4	S	S	.	.			trans	-66.8	159.7	174.2	68.3	0	0	0	0	111.5	E79 Q80 K81	T77-E79 VanDerWaalsContact C-N 3.31Å; T77-E79 PolarHBondContact O-N 2.86Å; T77-Q80 WeakPolarHBondContact O-CB 3.19Å; T77-Q80 PolarHBondContact O-N 3.29Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.41Å; T77-Q80 PolarHBondContact OG1-N 3.04Å; T77-Q80 PolarHBondContact OG1-OE1 3Å; T77-K81 PolarHBondContact O-N 3.14Å
78	P	92.1	Very high	94	Very high	94 Å²	94	85.2 Å²	85.2	61%	0.61	39%	0.39	S	S	*	.	H	α-helix	trans	-53.2	-43.5	177.4	-28.4	36.3	0	0	0	113.8	Q80 K81 R82	P78-Q80 VanDerWaalsContact C-N 3.35Å; P78-Q80 PolarHBondContact O-N 2.88Å; P78-K81 PolarHBondContact O-N 2.99Å; P78-R82 PolarHBondContact O-N 2.79Å
79	E	93.8	Very high	94	Very high	121 Å²	121	85.6 Å²	85.6	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-59	-42.5	173.6	-109.6	65	-150.4	0	0	113	T77 R82 K83	T77-E79 VanDerWaalsContact C-N 3.31Å; T77-E79 PolarHBondContact O-N 2.86Å; E79-R82 PolarHBondContact O-N 2.75Å; E79-K83 WeakPolarHBondContact O-CG 3.28Å; E79-K83 PolarHBondContact O-N 2.98Å
80	Q	94.6	Very high	94	Very high	99 Å²	99	93.5 Å²	93.5	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-67.3	-42.7	178.5	-74.4	172.2	-31.9	0	0	111.1	E76 T77 P78 R82 K83 R84	E76-Q80 HydrophobicContact CB-CB 3.81Å; E76-Q80 HydrophobicContact CG-CB 4.48Å; T77-Q80 WeakPolarHBondContact O-CB 3.19Å; T77-Q80 PolarHBondContact O-N 3.29Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.41Å; T77-Q80 PolarHBondContact OG1-N 3.04Å; T77-Q80 PolarHBondContact OG1-OE1 3Å; P78-Q80 VanDerWaalsContact C-N 3.35Å; P78-Q80 PolarHBondContact O-N 2.88Å; Q80-R82 PolarHBondContact O-N 3.15Å; Q80-K83 PolarHBondContact O-N 3.08Å; Q80-R84 WeakPolarHBondContact O-CB 3.38Å; Q80-R84 PolarHBondContact O-N 3.1Å
81	K	94.9	Very high	94.1	Very high	40 Å²	40	89.2 Å²	89.2	17%	0.174	40%	0.401	C	S	.	.	H	α-helix	trans	-58.2	-47.1	173.7	-68.1	-174.7	-176.2	-169.7	0	111.1	V69 L72 T74 E76 T77 P78 K83 R84 V85	V69-K81 HydrophobicContact CG1-CB 3.93Å; L72-K81 HydrophobicContact CB-CD 4.19Å; L72-K81 HydrophobicContact CB-CG 4.5Å; L72-K81 HydrophobicContact CD1-CB 4.34Å; L72-K81 WeakPolarHBondContact O-CE 3.19Å; L72-K81 PolarHBondContact O-NZ 2.91Å; T74-K81 WeakPolarHBondContact O-CE 3.45Å; T74-K81 WeakPolarHBondContact OG1-CE 3.33Å; E76-K81 HydrophobicContact CB-CG 4.12Å; E76-K81 WeakPolarHBondContact O-CE 3.19Å; T77-K81 PolarHBondContact O-N 3.14Å; P78-K81 PolarHBondContact O-N 2.99Å; K81-K83 PolarHBondContact O-N 3.47Å; K81-R84 WeakPolarHBondContact O-CB 3.26Å; K81-R84 PolarHBondContact O-N 3.49Å; K81-R84 VanDerWaalsContact O-N 3.17Å; K81-V85 WeakPolarHBondContact O-CG2 3.3Å; K81-V85 PolarHBondContact O-N 3.29Å
82	R	96.3	Very high	94.2	Very high	92 Å²	92	84.9 Å²	84.9	35%	0.347	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-42	177.6	-172.1	173	-81.5	162.8	-9.1	112.3	E65 D66 V69 P78 E79 Q80 R84 V85 R86	E65-R82 WeakPolarHBondContact OE1-CG 3.4Å; E65-R82 IonicContact OE1-NE 3.87Å; D66-R82 IonicContact OD1-CZ 3.99Å; D66-R82 IonicContact OD1-NH2 2.64Å; D66-R82 PolarHBondContact OD1-NH2 3.45Å; V69-R82 HydrophobicContact CG2-CB 4.02Å; V69-R82 HydrophobicContact CG2-CG 4.36Å; P78-R82 PolarHBondContact O-N 2.79Å; E79-R82 PolarHBondContact O-N 2.75Å; Q80-R82 PolarHBondContact O-N 3.15Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-V85 PolarHBondContact O-N 3.19Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.19Å
83	K	96.1	Very high	94.5	Very high	153 Å²	153	86 Å²	86	67%	0.665	38%	0.382	S	S	*	.	H	α-helix	trans	-61.7	-42.3	173.4	-74.8	176.6	-178.1	-180	0	111.9	E79 Q80 K81 R86 G87	E79-K83 WeakPolarHBondContact O-CG 3.28Å; E79-K83 PolarHBondContact O-N 2.98Å; Q80-K83 PolarHBondContact O-N 3.08Å; K81-K83 PolarHBondContact O-N 3.47Å; K83-R86 PolarHBondContact O-N 3.27Å; K83-G87 PolarHBondContact O-N 3.19Å
84	R	94.5	Very high	94.9	Very high	72 Å²	72	77 Å²	77	27%	0.272	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-48.2	175.8	-175.7	178.1	-178.9	134.7	0	111.1	E76 Q80 K81 R82 R86 G87 I88	E76-R84 IonicContact OE1-NH1 3.79Å; E76-R84 PolarHBondContact OE1-NH1 3.01Å; E76-R84 VanDerWaalsContact OE1-NH1 3.09Å; E76-R84 WeakPolarHBondContact OE2-CD 3.41Å; E76-R84 IonicContact OE2-NH1 3.95Å; Q80-R84 WeakPolarHBondContact O-CB 3.38Å; Q80-R84 PolarHBondContact O-N 3.1Å; K81-R84 WeakPolarHBondContact O-CB 3.26Å; K81-R84 PolarHBondContact O-N 3.49Å; K81-R84 VanDerWaalsContact O-N 3.17Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R84-R86 PolarHBondContact O-N 2.8Å; R84-G87 WeakPolarHBondContact O-CA 3.43Å; R84-G87 PolarHBondContact O-N 3.46Å; R84-G87 VanDerWaalsContact O-N 3.1Å; R84-I88 HydrophobicContact CG-CD1 4.1Å; R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.29Å; R84-I88 PolarHBondContact O-N 2.81Å
85	V	96.6	Very high	95.3	Very high	0 Å²	0	76 Å²	76	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-54.5	-53.4	176.4	171.3	0	0	0	0	110.6	E65 L68 V69 L72 K81 R82 G87 I88 L89 F530	E65-V85 HydrophobicContact CG-CG1 4.18Å; L68-V85 HydrophobicContact CB-CG1 3.87Å; L68-V85 HydrophobicContact CB-CG2 3.96Å; L68-V85 HydrophobicContact CD1-CG1 3.92Å; V69-V85 HydrophobicContact CG2-CB 4.19Å; V69-V85 HydrophobicContact CG2-CG2 3.66Å; L72-V85 HydrophobicContact CD1-CG2 3.33Å; K81-V85 WeakPolarHBondContact O-CG2 3.3Å; K81-V85 PolarHBondContact O-N 3.29Å; R82-V85 PolarHBondContact O-N 3.19Å; V85-G87 VanDerWaalsContact C-N 3.28Å; V85-G87 PolarHBondContact O-N 3.19Å; V85-I88 PolarHBondContact O-N 2.86Å; V85-L89 HydrophobicContact CG1-CD1 3.8Å; V85-L89 HydrophobicContact CG1-CG 4.36Å; V85-L89 VanDerWaalsContact O-CG 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 3.11Å; V85-F530 HydrophobicContact CB-CE2 4.23Å; V85-F530 HydrophobicContact CB-CZ 4.37Å; V85-F530 HydrophobicContact CG1-CE2 4.08Å; V85-F530 HydrophobicContact CG1-CZ 4.49Å; V85-F530 HydrophobicContact CG2-CE2 4.14Å; V85-F530 HydrophobicContact CG2-CZ 3.78Å
86	R	96.7	Very high	95.7	Very high	117 Å²	117	66.3 Å²	66.3	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-60.1	-37.9	177.7	-70.4	178.8	-179.3	-175.2	-2.3	112.6	E65 R82 K83 R84 L89 R90	E65-R86 IonicContact OE1-CZ 3.12Å; E65-R86 IonicContact OE1-NE 3.24Å; E65-R86 PolarHBondContact OE1-NE 3.14Å; E65-R86 IonicContact OE1-NH2 3.77Å; E65-R86 PolarHBondContact OE1-NH2 3.43Å; E65-R86 IonicContact OE2-NE 3.99Å; E65-R86 IonicContact OE2-NH2 3.59Å; R82-R86 WeakPolarHBondContact O-CG 3.48Å; R82-R86 PolarHBondContact O-N 3.19Å; K83-R86 PolarHBondContact O-N 3.27Å; R84-R86 PolarHBondContact O-N 2.8Å; R86-L89 PolarHBondContact O-N 2.73Å; R86-R90 VanDerWaalsContact O-CG 3.25Å; R86-R90 WeakPolarHBondContact O-CG 3.33Å; R86-R90 PolarHBondContact O-N 3.11Å
87	G	95.6	Very high	96	Very high	29 Å²	29	68.1 Å²	68.1	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-48.3	175.4	0	0	0	0	0	112.1	K83 R84 V85 R90 I91	K83-G87 PolarHBondContact O-N 3.19Å; R84-G87 WeakPolarHBondContact O-CA 3.43Å; R84-G87 PolarHBondContact O-N 3.46Å; R84-G87 VanDerWaalsContact O-N 3.1Å; V85-G87 VanDerWaalsContact C-N 3.28Å; V85-G87 PolarHBondContact O-N 3.19Å; G87-R90 WeakPolarHBondContact O-CB 3.28Å; G87-R90 PolarHBondContact O-N 2.9Å; G87-I91 WeakPolarHBondContact O-CG1 3.38Å; G87-I91 PolarHBondContact O-N 3.09Å; G87-I91 VanDerWaalsContact O-N 3.1Å
88	I	95.9	Very high	96.2	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-45.4	177.5	-62.9	175.9	0	0	0	110.8	R84 V85 R90 I91 I92 F530 Y533 L538	R84-I88 HydrophobicContact CG-CD1 4.1Å; R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.29Å; R84-I88 PolarHBondContact O-N 2.81Å; V85-I88 PolarHBondContact O-N 2.86Å; I88-R90 VanDerWaalsContact C-N 3.27Å; I88-R90 PolarHBondContact O-N 2.85Å; I88-I91 WeakPolarHBondContact O-CA 3.37Å; I88-I91 WeakPolarHBondContact O-CB 3.38Å; I88-I91 PolarHBondContact O-N 2.82Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.38Å; I88-I92 WeakPolarHBondContact O-CG1 3.46Å; I88-I92 PolarHBondContact O-N 2.82Å; I88-F530 HydrophobicContact CB-CD2 3.97Å; I88-F530 HydrophobicContact CB-CE2 3.65Å; I88-F530 HydrophobicContact CD1-CD2 4.38Å; I88-F530 HydrophobicContact CD1-CE2 3.63Å; I88-F530 HydrophobicContact CD1-CZ 3.73Å; I88-F530 HydrophobicContact CG1-CE2 4.17Å; I88-F530 HydrophobicContact CG2-CD2 3.5Å; I88-F530 VanDerWaalsContact CG2-CD2 3.5Å; I88-F530 HydrophobicContact CG2-CE2 3.7Å; I88-F530 HydrophobicContact CG2-CG 4.38Å; I88-Y533 HydrophobicContact CG2-CG 4.16Å; I88-L538 HydrophobicContact CD1-CD1 4.28Å; I88-L538 HydrophobicContact CD1-CD2 3.71Å; I88-L538 HydrophobicContact CG1-CD1 3.99Å; I88-L538 HydrophobicContact CG1-CD2 3.5Å; I88-L538 VanDerWaalsContact CG1-CD2 3.5Å; I88-L538 HydrophobicContact CG1-CG 4.4Å; I88-L538 HydrophobicContact CG2-CD2 4.47Å
89	L	96.9	Very high	96.5	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-36.4	178.1	-65.8	171.7	0	0	0	112	F57 A61 L68 V85 R86 I91 I92 K93 I526 F530	F57-L89 HydrophobicContact CE1-CB 4.39Å; F57-L89 HydrophobicContact CE1-CD2 4.39Å; F57-L89 HydrophobicContact CZ-CB 4.49Å; F57-L89 HydrophobicContact CZ-CD2 3.94Å; A61-L89 HydrophobicContact CB-CD1 4.11Å; L68-L89 HydrophobicContact CD1-CD1 4.48Å; L68-L89 HydrophobicContact CD1-CD2 4.27Å; V85-L89 HydrophobicContact CG1-CD1 3.8Å; V85-L89 HydrophobicContact CG1-CG 4.36Å; V85-L89 VanDerWaalsContact O-CG 3.3Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 3.11Å; R86-L89 PolarHBondContact O-N 2.73Å; L89-I91 VanDerWaalsContact C-N 3.31Å; L89-I91 PolarHBondContact O-N 3.49Å; L89-I92 HydrophobicContact CD2-CD1 4.48Å; L89-I92 PolarHBondContact O-N 3.47Å; L89-K93 WeakPolarHBondContact O-CG 3.26Å; L89-K93 PolarHBondContact O-N 3.2Å; L89-I526 HydrophobicContact CD2-CG2 3.55Å; L89-F530 HydrophobicContact CD2-CD2 4.37Å
90	R	96.7	Very high	96.8	Very high	185 Å²	185	62 Å²	62	70%	0.698	30%	0.297	S	S	*	.	H	α-helix	trans	-67.2	-29.4	173	-72.4	172.7	-166.8	-174.1	2.1	113.3	R86 G87 I88 P94	R86-R90 VanDerWaalsContact O-CG 3.25Å; R86-R90 WeakPolarHBondContact O-CG 3.33Å; R86-R90 PolarHBondContact O-N 3.11Å; G87-R90 WeakPolarHBondContact O-CB 3.28Å; G87-R90 PolarHBondContact O-N 2.9Å; I88-R90 VanDerWaalsContact C-N 3.27Å; I88-R90 PolarHBondContact O-N 2.85Å; R90-P94 WeakPolarHBondContact O-CD 3.32Å
91	I	95.5	Very high	96.9	Very high	67 Å²	67	58 Å²	58	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-74	-35.7	174.7	-66.9	164.6	0	0	0	110.6	G87 I88 L89 Y533	G87-I91 WeakPolarHBondContact O-CG1 3.38Å; G87-I91 PolarHBondContact O-N 3.09Å; G87-I91 VanDerWaalsContact O-N 3.1Å; I88-I91 WeakPolarHBondContact O-CA 3.37Å; I88-I91 WeakPolarHBondContact O-CB 3.38Å; I88-I91 PolarHBondContact O-N 2.82Å; L89-I91 VanDerWaalsContact C-N 3.31Å; L89-I91 PolarHBondContact O-N 3.49Å; I91-Y533 HydrophobicContact CG2-CD1 4.43Å; I91-Y533 HydrophobicContact CG2-CE1 3.85Å
92	I	97	Very high	97.1	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-30.8	-177.9	-68.3	165.9	0	0	0	113	F57 I88 L89 H122 Y153 I529 Y533	F57-I92 HydrophobicContact CE2-CB 4.44Å; F57-I92 HydrophobicContact CE2-CG2 3.62Å; F57-I92 HydrophobicContact CZ-CB 4.16Å; F57-I92 HydrophobicContact CZ-CG2 3.84Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.38Å; I88-I92 WeakPolarHBondContact O-CG1 3.46Å; I88-I92 PolarHBondContact O-N 2.82Å; L89-I92 HydrophobicContact CD2-CD1 4.48Å; L89-I92 PolarHBondContact O-N 3.47Å; I92-H122 PolarHBondContact O-CE1 2.91Å; I92-H122 PolarHBondContact O-NE2 3Å; I92-H122 VanDerWaalsContact O-NE2 3.13Å; I92-Y153 HydrophobicContact CG2-CE1 4.16Å; I92-I529 HydrophobicContact CD1-CB 4.46Å; I92-I529 HydrophobicContact CD1-CG2 3.78Å; I92-I529 HydrophobicContact CG1-CG2 3.89Å; I92-I529 HydrophobicContact CG2-CG2 4.05Å; I92-Y533 HydrophobicContact CD1-CD2 4.06Å; I92-Y533 HydrophobicContact CD1-CE2 4.47Å; I92-Y533 HydrophobicContact CG1-CD2 3.8Å; I92-Y533 HydrophobicContact CG1-CE2 3.75Å
93	K	96.1	Very high	97.2	Very high	35 Å²	35	56.1 Å²	56.1	15%	0.152	29%	0.285	C	S	.	.	S	Bend	trans	-67.8	-52.3	-173.1	-77.5	-176.2	67.4	168.8	0	115.9	E54 F57 D58 L89 H122	E54-K93 WeakPolarHBondContact OE1-CE 3.36Å; F57-K93 HydrophobicContact CD1-CD 3.73Å; F57-K93 HydrophobicContact CD1-CG 3.42Å; F57-K93 VanDerWaalsContact CD1-CG 3.42Å; F57-K93 HydrophobicContact CE1-CD 3.84Å; F57-K93 HydrophobicContact CE1-CG 3.36Å; F57-K93 HydrophobicContact CG-CG 4.16Å; F57-K93 HydrophobicContact CZ-CG 4.02Å; D58-K93 WeakPolarHBondContact OD1-CD 3.33Å; D58-K93 WeakPolarHBondContact OD1-CE 3.14Å; D58-K93 IonicContact OD1-NZ 3.97Å; D58-K93 PolarHBondContact OD1-NZ 3.16Å; D58-K93 IonicContact OD2-NZ 3.58Å; D58-K93 PolarHBondContact OD2-NZ 2.76Å; L89-K93 WeakPolarHBondContact O-CG 3.26Å; L89-K93 PolarHBondContact O-N 3.2Å; K93-H122 PolarHBondContact O-NE2 3.47Å; K93-H122 VanDerWaalsContact O-NE2 3.12Å
94	P	97.8	Very high	97.3	Very high	59 Å²	59	51.6 Å²	51.6	38%	0.383	27%	0.271	S	S	.	.	S	Bend	trans	-74.9	154.4	-175.4	30.4	-35.9	0	0	0	111.4	R90 N96	R90-P94 WeakPolarHBondContact O-CD 3.32Å; P94-N96 PolarHBondContact O-N 3.39Å
95	C	98.3	Very high	97.4	Very high	21 Å²	21	48.6 Å²	48.6	14%	0.142	26%	0.26	C	S	.	.			trans	-69.8	131.6	167.2	-62.5	0	0	0	0	110.7	V98	C95-V98 HydrophobicContact CB-CG2 4.1Å
96	N	98	Very high	97.5	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	29%	0.287	S	S	.	.	S	Bend	trans	-65.2	-41.6	176.5	-73.4	-7.3	0	0	0	112.8	P94 Q121 H122 Q124	P94-N96 PolarHBondContact O-N 3.39Å; N96-Q121 PolarHBondContact N-O 3.25Å; N96-H122 PolarHBondContact N-O 3.26Å; N96-Q124 PolarHBondContact ND2-OE1 3.24Å
97	H	98.7	Very high	97.5	Very high	98 Å²	98	52.9 Å²	52.9	45%	0.454	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.3	-178.1	-53.9	101.1	0	0	0	111.8	A120 Q121 Q124 F197	H97-A120 CarbonylContact O-C 3.33Å; H97-A120 WeakPolarHBondContact O-CA 3.46Å; H97-Q121 HydrophobicContact CB-CB 4.36Å; H97-Q121 PolarHBondContact N-O 3Å; H97-Q121 PolarHBondContact O-N 3.03Å; H97-Q124 PolarHBondContact ND1-NE2 2.76Å; H97-F197 HydrophobicContact CB-CE1 4.15Å; H97-F197 HydrophobicContact CB-CZ 3.81Å
98	V	98.8	Very high	97.6	Very high	59 Å²	59	55.2 Å²	55.2	36%	0.358	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	123	171	-175.8	0	0	0	0	108.4	C95 A120 V141 K145	C95-V98 HydrophobicContact CB-CG2 4.1Å; V98-A120 HydrophobicContact CG1-CB 4.48Å; V98-A120 HydrophobicContact CG2-CB 3.98Å; V98-V141 HydrophobicContact CG1-CG1 4.09Å; V98-K145 HydrophobicContact CG2-CD 4.23Å; V98-K145 HydrophobicContact CG2-CG 3.89Å
99	L	98.8	Very high	97.6	Very high	28 Å²	28	59.2 Å²	59.2	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.3	174.3	175.4	64.6	0	0	0	109.4	V101 Y118 R119 L192 K195 F197	L99-V101 HydrophobicContact CD1-CG1 3.99Å; L99-V101 HydrophobicContact CD2-CG1 3.99Å; L99-V101 HydrophobicContact CG-CG1 3.84Å; L99-Y118 CarbonylContact O-C 3.56Å; L99-Y118 VanDerWaalsContact O-CA 3.24Å; L99-Y118 WeakPolarHBondContact O-CA 3.34Å; L99-R119 PolarHBondContact N-O 3.09Å; L99-R119 PolarHBondContact O-N 3.43Å; L99-L192 HydrophobicContact CD2-CD2 3.99Å; L99-K195 HydrophobicContact CD1-CG 4.36Å; L99-K195 HydrophobicContact CD2-CB 3.82Å; L99-K195 HydrophobicContact CD2-CG 4.12Å; L99-F197 HydrophobicContact CB-CD1 3.96Å; L99-F197 HydrophobicContact CB-CD2 4.01Å; L99-F197 HydrophobicContact CB-CE1 3.65Å; L99-F197 HydrophobicContact CB-CE2 3.73Å; L99-F197 HydrophobicContact CB-CG 4.12Å; L99-F197 HydrophobicContact CB-CZ 3.52Å; L99-F197 HydrophobicContact CD2-CB 4.17Å; L99-F197 HydrophobicContact CD2-CD1 4.45Å; L99-F197 HydrophobicContact CD2-CD2 3.63Å; L99-F197 HydrophobicContact CD2-CE2 4.09Å; L99-F197 HydrophobicContact CD2-CG 3.84Å; L99-F197 HydrophobicContact CG-CD2 4.4Å; L99-F197 HydrophobicContact CG-CE2 4.4Å
100	S	98.7	Very high	97.5	Very high	71 Å²	71	59.8 Å²	59.8	50%	0.497	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131	167.5	-56	0	0	0	0	108.7	Y118	S100-Y118 WeakPolarHBondContact OG-CD1 3.45Å
101	V	98.2	Very high	97.6	Very high	16 Å²	16	57.4 Å²	57.4	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	178.2	-67.2	0	0	0	0	110.1	L99 F103 G117 F188 E191	L99-V101 HydrophobicContact CD1-CG1 3.99Å; L99-V101 HydrophobicContact CD2-CG1 3.99Å; L99-V101 HydrophobicContact CG-CG1 3.84Å; V101-F103 HydrophobicContact CG2-CD1 4.13Å; V101-F103 HydrophobicContact CG2-CE1 4.25Å; V101-G117 WeakPolarHBondContact CG2-O 3.36Å; V101-G117 PolarHBondContact N-O 3.36Å; V101-G117 PolarHBondContact O-N 3.49Å; V101-F188 HydrophobicContact CG2-CD2 3.88Å; V101-F188 HydrophobicContact CG2-CE2 3.66Å; V101-E191 HydrophobicContact CG1-CB 4.19Å
102	C	98.1	Very high	97.7	Very high	92 Å²	92	62.9 Å²	62.9	62%	0.622	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.4	166.2	-59	0	0	0	0	107	V114 I115	C102-V114 HydrophobicContact CB-CG1 3.92Å; C102-I115 WeakPolarHBondContact CA-O 3.25Å
103	F	98.3	Very high	97.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.9	180	57.2	-89.4	0	0	0	111	V101 I105 I115 I184 R187 F188 E191	V101-F103 HydrophobicContact CG2-CD1 4.13Å; V101-F103 HydrophobicContact CG2-CE1 4.25Å; F103-I105 HydrophobicContact CD2-CG2 4.15Å; F103-I105 HydrophobicContact CE2-CG2 4.11Å; F103-I115 HydrophobicContact CD2-CB 4.32Å; F103-I115 HydrophobicContact CE1-CB 4.38Å; F103-I115 HydrophobicContact CE1-CG2 4.26Å; F103-I115 HydrophobicContact CE2-CB 3.86Å; F103-I115 HydrophobicContact CE2-CG1 4.33Å; F103-I115 HydrophobicContact CE2-CG2 4.17Å; F103-I115 HydrophobicContact CZ-CB 3.89Å; F103-I115 HydrophobicContact CZ-CG2 3.74Å; F103-I115 PolarHBondContact N-O 3.48Å; F103-I115 PolarHBondContact O-N 2.9Å; F103-I184 HydrophobicContact CE2-CG2 4.32Å; F103-I184 HydrophobicContact CZ-CG2 4.18Å; F103-R187 HydrophobicContact CB-CG 4.11Å; F103-R187 HydrophobicContact CD2-CB 3.99Å; F103-R187 HydrophobicContact CD2-CG 3.35Å; F103-R187 HydrophobicContact CE2-CB 4.05Å; F103-R187 HydrophobicContact CE2-CG 3.92Å; F103-R187 HydrophobicContact CG-CG 3.85Å; F103-F188 HydrophobicContact CE1-CB 4.05Å; F103-F188 AromaticContact CE1-CD2 3.71Å; F103-F188 HydrophobicContact CE1-CD2 3.71Å; F103-F188 HydrophobicContact CE1-CG 4.31Å; F103-F188 HydrophobicContact CZ-CB 3.83Å; F103-F188 HydrophobicContact CZ-CD2 4.27Å; F103-F188 HydrophobicContact CZ-CG 4.45Å; F103-E191 HydrophobicContact CB-CG 4.36Å; F103-E191 HydrophobicContact CD1-CG 4.42Å
104	P	98.1	Very high	97.8	Very high	58 Å²	58	68 Å²	68	38%	0.377	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.9	177.6	32.3	-34.2	0	0	0	111	W112 E113	P104-W112 HydrophobicContact CB-CE3 4.21Å; P104-W112 HydrophobicContact CB-CZ3 4.49Å; P104-E113 CarbonylContact C-O 3.5Å; P104-E113 WeakPolarHBondContact CA-O 3.5Å
105	I	97.8	Very high	97.9	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.5	163.6	62.1	158.9	0	0	0	109.5	F103 W112 E113 I115 Y176 I184	F103-I105 HydrophobicContact CD2-CG2 4.15Å; F103-I105 HydrophobicContact CE2-CG2 4.11Å; I105-W112 WeakPolarHBondContact O-CA 3.43Å; I105-E113 HydrophobicContact CG1-CB 4.14Å; I105-E113 PolarHBondContact N-O 2.84Å; I105-E113 PolarHBondContact O-N 3.24Å; I105-I115 HydrophobicContact CD1-CD1 4.2Å; I105-I115 HydrophobicContact CD1-CG1 4.09Å; I105-I115 HydrophobicContact CG1-CD1 4.38Å; I105-I115 HydrophobicContact CG1-CG1 3.95Å; I105-I115 HydrophobicContact CG2-CG1 4.34Å; I105-Y176 HydrophobicContact CD1-CE1 4.39Å; I105-I184 HydrophobicContact CD1-CD1 3.81Å; I105-I184 HydrophobicContact CD1-CG1 3.69Å; I105-I184 HydrophobicContact CG2-CG1 4.03Å
106	R	97.7	Very high	97.9	Very high	148 Å²	148	67.8 Å²	67.8	56%	0.558	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	117.2	165.9	-169.4	177.8	-178.3	-169.8	-4.5	108.2	G110 W112	R106-G110 PolarHBondContact NE-O 3.33Å; R106-W112 HydrophobicContact CB-CD2 4.18Å; R106-W112 HydrophobicContact CB-CE3 3.96Å; R106-W112 HydrophobicContact CB-CH2 3.9Å; R106-W112 HydrophobicContact CB-CZ2 4.1Å; R106-W112 HydrophobicContact CB-CZ3 3.82Å; R106-W112 HydrophobicContact CG-CD2 4.4Å; R106-W112 HydrophobicContact CG-CZ2 4.25Å
107	R	97.4	Very high	97.9	Very high	59 Å²	59	64.9 Å²	64.9	22%	0.223	34%	0.34	C	S	.	.			trans	-64.4	162.6	175.7	-63.7	-157.6	73	144.5	-6.1	111.2	S109 G110 E111 E113 N175 E180	R107-S109 WeakPolarHBondContact CB-OG 3.46Å; R107-S109 PolarHBondContact O-N 3.4Å; R107-G110 WeakPolarHBondContact O-CA 3.39Å; R107-G110 PolarHBondContact O-N 2.94Å; R107-E111 WeakPolarHBondContact CB-O 3.48Å; R107-E111 PolarHBondContact N-O 2.99Å; R107-E113 VanDerWaalsContact CD-OE2 3.26Å; R107-E113 WeakPolarHBondContact CD-OE2 3.36Å; R107-E113 HydrophobicContact CG-CB 4.15Å; R107-E113 IonicContact CZ-OE2 3.47Å; R107-E113 IonicContact NE-OE2 3.6Å; R107-E113 IonicContact NH1-OE2 2.79Å; R107-E113 PolarHBondContact NH1-OE2 3.39Å; R107-N175 PolarHBondContact NH2-O 3.05Å; R107-E180 VanDerWaalsContact CA-OE1 3.27Å; R107-E180 WeakPolarHBondContact CA-OE1 3.45Å; R107-E180 VanDerWaalsContact CB-OE1 3.26Å; R107-E180 WeakPolarHBondContact CB-OE1 3.35Å; R107-E180 IonicContact CZ-OE1 3.98Å; R107-E180 IonicContact NE-OE1 3.22Å; R107-E180 PolarHBondContact NE-OE1 3.32Å; R107-E180 IonicContact NH2-OE1 3.67Å; R107-E180 IonicContact NH2-OE2 3.36Å; R107-E180 PolarHBondContact NH2-OE2 3.38Å
108	D	96.4	Very high	97.9	Very high	79 Å²	79	61.7 Å²	61.7	42%	0.422	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24	175.8	-68.9	-11.6	0	0	0	111.6	G110 T177 E180 K183	D108-G110 PolarHBondContact O-N 2.88Å; D108-T177 WeakPolarHBondContact OD2-CG2 3.37Å; D108-T177 PolarHBondContact OD2-OG1 3.03Å; D108-E180 HydrophobicContact CB-CG 4.4Å; D108-E180 PolarHBondContact N-OE1 3.21Å; D108-K183 IonicContact OD1-NZ 2.77Å; D108-K183 PolarHBondContact OD1-NZ 3.15Å
109	S	95.8	Very high	97.9	Very high	84 Å²	84	58.9 Å²	58.9	59%	0.587	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.7	168.3	63.9	0	0	0	0	113.7	R107 E111	R107-S109 WeakPolarHBondContact CB-OG 3.46Å; R107-S109 PolarHBondContact O-N 3.4Å; S109-E111 VanDerWaalsContact C-N 3.35Å; S109-E111 PolarHBondContact OG-N 3.11Å
110	G	96.4	Very high	97.9	Very high	27 Å²	27	57.5 Å²	57.5	28%	0.278	30%	0.3	S	S	.	.	S	Bend	trans	91.3	-11.1	-173.7	0	0	0	0	0	114.5	R106 R107 D108	R106-G110 PolarHBondContact NE-O 3.33Å; R107-G110 WeakPolarHBondContact O-CA 3.39Å; R107-G110 PolarHBondContact O-N 2.94Å; D108-G110 PolarHBondContact O-N 2.88Å
111	E	96.9	Very high	97.9	Very high	135 Å²	135	54.7 Å²	54.7	63%	0.631	28%	0.279	S	S	*	.			trans	-68.5	155.2	174.9	-65.6	-177.6	159.8	0	0	112	R107 S109	R107-E111 WeakPolarHBondContact CB-O 3.48Å; R107-E111 PolarHBondContact N-O 2.99Å; S109-E111 VanDerWaalsContact C-N 3.35Å; S109-E111 PolarHBondContact OG-N 3.11Å
112	W	97.8	Very high	98	Very high	181 Å²	181	54 Å²	54	69%	0.686	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.9	175.7	-70.2	93.6	0	0	0	110.4	P104 I105 R106	P104-W112 HydrophobicContact CB-CE3 4.21Å; P104-W112 HydrophobicContact CB-CZ3 4.49Å; I105-W112 WeakPolarHBondContact O-CA 3.43Å; R106-W112 HydrophobicContact CB-CD2 4.18Å; R106-W112 HydrophobicContact CB-CE3 3.96Å; R106-W112 HydrophobicContact CB-CH2 3.9Å; R106-W112 HydrophobicContact CB-CZ2 4.1Å; R106-W112 HydrophobicContact CB-CZ3 3.82Å; R106-W112 HydrophobicContact CG-CD2 4.4Å; R106-W112 HydrophobicContact CG-CZ2 4.25Å
113	E	98.2	Very high	98	Very high	46 Å²	46	49.7 Å²	49.7	22%	0.215	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.9	178.6	-170.7	179.6	154.2	0	0	109.7	P104 I105 R107 I115 Y176	P104-E113 CarbonylContact C-O 3.5Å; P104-E113 WeakPolarHBondContact CA-O 3.5Å; I105-E113 HydrophobicContact CG1-CB 4.14Å; I105-E113 PolarHBondContact N-O 2.84Å; I105-E113 PolarHBondContact O-N 3.24Å; R107-E113 VanDerWaalsContact CD-OE2 3.26Å; R107-E113 WeakPolarHBondContact CD-OE2 3.36Å; R107-E113 HydrophobicContact CG-CB 4.15Å; R107-E113 IonicContact CZ-OE2 3.47Å; R107-E113 IonicContact NE-OE2 3.6Å; R107-E113 IonicContact NH1-OE2 2.79Å; R107-E113 PolarHBondContact NH1-OE2 3.39Å; E113-I115 HydrophobicContact CG-CD1 4.04Å; E113-I115 WeakPolarHBondContact OE1-CD1 3.39Å; E113-Y176 PolarHBondContact OE1-OH 3.47Å
114	V	98.5	Very high	97.9	Very high	99 Å²	99	51 Å²	51	60%	0.6	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	123.8	174.5	179.2	0	0	0	0	108.6	C102	C102-V114 HydrophobicContact CB-CG1 3.92Å
115	I	98.6	Very high	97.9	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.1	178.8	-55.4	-58.4	0	0	0	109.6	C102 F103 I105 E113 V169 I171 Y176 I184	C102-I115 WeakPolarHBondContact CA-O 3.25Å; F103-I115 HydrophobicContact CD2-CB 4.32Å; F103-I115 HydrophobicContact CE1-CB 4.38Å; F103-I115 HydrophobicContact CE1-CG2 4.26Å; F103-I115 HydrophobicContact CE2-CB 3.86Å; F103-I115 HydrophobicContact CE2-CG1 4.33Å; F103-I115 HydrophobicContact CE2-CG2 4.17Å; F103-I115 HydrophobicContact CZ-CB 3.89Å; F103-I115 HydrophobicContact CZ-CG2 3.74Å; F103-I115 PolarHBondContact N-O 3.48Å; F103-I115 PolarHBondContact O-N 2.9Å; I105-I115 HydrophobicContact CD1-CD1 4.2Å; I105-I115 HydrophobicContact CD1-CG1 4.09Å; I105-I115 HydrophobicContact CG1-CD1 4.38Å; I105-I115 HydrophobicContact CG1-CG1 3.95Å; I105-I115 HydrophobicContact CG2-CG1 4.34Å; E113-I115 HydrophobicContact CG-CD1 4.04Å; E113-I115 WeakPolarHBondContact OE1-CD1 3.39Å; I115-V169 HydrophobicContact CG2-CG1 3.44Å; I115-V169 VanDerWaalsContact CG2-CG1 3.44Å; I115-I171 HydrophobicContact CD1-CG2 3.86Å; I115-I171 HydrophobicContact CG2-CG2 4Å; I115-Y176 HydrophobicContact CD1-CE1 4.46Å; I115-I184 HydrophobicContact CD1-CD1 4.49Å; I115-I184 HydrophobicContact CG1-CG1 4.35Å; I115-I184 HydrophobicContact CG2-CG2 4.36Å
116	E	98.7	Very high	97.9	Very high	72 Å²	72	54.5 Å²	54.5	34%	0.336	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.2	172.4	-62.2	-178.7	168.2	0	0	110.4	Y118 K170	E116-Y118 PolarHBondContact OE2-OH 2.92Å; E116-K170 HydrophobicContact CB-CB 4.19Å; E116-K170 PolarHBondContact O-N 3.49Å; E116-K170 WeakPolarHBondContact OE2-CD 3.35Å; E116-K170 IonicContact OE2-NZ 2.93Å
117	G	98.6	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.6	175	0	0	0	0	0	112.1	V101 G168	V101-G117 WeakPolarHBondContact CG2-O 3.36Å; V101-G117 PolarHBondContact N-O 3.36Å; V101-G117 PolarHBondContact O-N 3.49Å; G117-G168 CarbonylContact C-O 3.6Å; G117-G168 WeakPolarHBondContact CA-O 3.43Å
118	Y	98.8	Very high	97.9	Very high	30 Å²	30	49.3 Å²	49.3	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.3	-179.5	-47.5	-77.5	0	0	0	110.8	L99 S100 E116 V139 V141 A167 G168	L99-Y118 CarbonylContact O-C 3.56Å; L99-Y118 VanDerWaalsContact O-CA 3.24Å; L99-Y118 WeakPolarHBondContact O-CA 3.34Å; S100-Y118 WeakPolarHBondContact OG-CD1 3.45Å; E116-Y118 PolarHBondContact OE2-OH 2.92Å; Y118-V139 HydrophobicContact CD2-CG1 3.6Å; Y118-V139 HydrophobicContact CE2-CG1 3.95Å; Y118-V141 HydrophobicContact CD1-CG2 3.51Å; Y118-V141 HydrophobicContact CE1-CG2 3.5Å; Y118-V141 HydrophobicContact CG-CG2 4.16Å; Y118-A167 CarbonylContact O-C 3.56Å; Y118-A167 WeakPolarHBondContact O-CA 3.45Å; Y118-A167 WeakPolarHBondContact O-CB 3.31Å; Y118-G168 PolarHBondContact N-O 3.27Å; Y118-G168 PolarHBondContact O-N 2.93Å
119	R	98.8	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121.9	164.1	-170	162.2	-177.8	93	2.2	110.7	L99 K166 A167 L192 F197 D203	L99-R119 PolarHBondContact N-O 3.09Å; L99-R119 PolarHBondContact O-N 3.43Å; R119-K166 CarbonylContact C-O 3.56Å; R119-K166 VanDerWaalsContact CA-O 3.3Å; R119-K166 WeakPolarHBondContact CA-O 3.31Å; R119-K166 WeakPolarHBondContact CG-O 3.28Å; R119-A167 HydrophobicContact CB-CB 3.95Å; R119-A167 HydrophobicContact CG-CB 3.89Å; R119-L192 HydrophobicContact CB-CD2 3.79Å; R119-F197 HydrophobicContact CB-CD1 3.99Å; R119-F197 VanDerWaalsContact CD-O 3.25Å; R119-F197 WeakPolarHBondContact CD-O 3.44Å; R119-F197 HydrophobicContact CG-CD1 3.96Å; R119-F197 PolarHBondContact NE-O 3.27Å; R119-F197 WeakPolarHBondContact O-CE1 3.35Å; R119-D203 IonicContact CZ-OD1 2.94Å; R119-D203 IonicContact CZ-OD2 2.68Å; R119-D203 IonicContact NE-OD1 2.63Å; R119-D203 IonicContact NE-OD2 3.81Å; R119-D203 PolarHBondContact NE-OD2 2.7Å; R119-D203 IonicContact NH2-OD1 3.1Å; R119-D203 PolarHBondContact NH2-OD1 3.41Å; R119-D203 IonicContact NH2-OD2 3.83Å; R119-D203 PolarHBondContact NH2-OD2 3.01Å
120	A	98.9	Very high	98.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.7	173.1	0	0	0	0	0	110	H97 V98 V144 K145 A148 A165 K166	H97-A120 CarbonylContact O-C 3.33Å; H97-A120 WeakPolarHBondContact O-CA 3.46Å; V98-A120 HydrophobicContact CG1-CB 4.48Å; V98-A120 HydrophobicContact CG2-CB 3.98Å; A120-V144 HydrophobicContact CB-CG1 3.82Å; A120-K145 HydrophobicContact CB-CG 4.26Å; A120-A148 HydrophobicContact CB-CB 3.83Å; A120-A165 CarbonylContact O-C 3.52Å; A120-A165 WeakPolarHBondContact O-CA 3.34Å; A120-A165 VanDerWaalsContact O-CB 3.25Å; A120-A165 WeakPolarHBondContact O-CB 3.21Å; A120-K166 PolarHBondContact N-O 3.32Å; A120-K166 PolarHBondContact O-N 2.98Å
121	Q	98.8	Very high	98.2	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.8	166.9	-63.9	176	-7.7	0	0	107.4	N96 H97 Q124 C129 A165 F197 D203	N96-Q121 PolarHBondContact N-O 3.25Å; H97-Q121 HydrophobicContact CB-CB 4.36Å; H97-Q121 PolarHBondContact N-O 3Å; H97-Q121 PolarHBondContact O-N 3.03Å; Q121-Q124 VanDerWaalsContact CB-NE2 3.27Å; Q121-C129 HydrophobicContact CG-CB 4.36Å; Q121-A165 HydrophobicContact CG-CB 4.28Å; Q121-F197 HydrophobicContact CG-CD1 4.01Å; Q121-F197 HydrophobicContact CG-CE1 4Å; Q121-D203 WeakPolarHBondContact CG-OD2 3.47Å; Q121-D203 PolarHBondContact NE2-OD2 3.4Å
122	H	98.7	Very high	98.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.161	C	C	.	.			trans	-74.1	-51.4	-172.9	172.8	-104.1	0	0	0	111.9	I92 K93 N96 A148 S149 T152 Y153 G164	I92-H122 PolarHBondContact O-CE1 2.91Å; I92-H122 PolarHBondContact O-NE2 3Å; I92-H122 VanDerWaalsContact O-NE2 3.13Å; K93-H122 PolarHBondContact O-NE2 3.47Å; K93-H122 VanDerWaalsContact O-NE2 3.12Å; N96-H122 PolarHBondContact N-O 3.26Å; H122-A148 HydrophobicContact CB-CB 4.04Å; H122-A148 WeakPolarHBondContact CB-O 3.14Å; H122-S149 WeakPolarHBondContact CD2-CB 3.23Å; H122-S149 VanDerWaalsContact CG-CA 3.48Å; H122-S149 VanDerWaalsContact NE2-CB 3.35Å; H122-S149 WeakPolarHBondContact NE2-CB 3.26Å; H122-T152 VanDerWaalsContact ND1-CB 3.34Å; H122-T152 WeakPolarHBondContact ND1-CB 3.44Å; H122-T152 PolarHBondContact ND1-OG1 3.26Å; H122-Y153 AromaticContact CE1-CZ 3.89Å; H122-G164 WeakPolarHBondContact CB-O 3.26Å; H122-G164 PolarHBondContact N-O 2.97Å
123	S	98.1	Very high	98.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.129	C	C	.	.			trans	-143.3	143.1	-177	177.6	0	0	0	0	110.6	H125 C129 G163 Y533	S123-H125 PolarHBondContact OG-N 2.74Å; S123-H125 PolarHBondContact OG-ND1 2.63Å; S123-C129 PolarHBondContact O-SG 3.39Å; S123-C129 VanDerWaalsContact O-SG 3.4Å; S123-G163 WeakPolarHBondContact O-CA 3.32Å; S123-Y533 PolarHBondContact OG-OH 3.45Å
124	Q	97.6	Very high	98.4	Very high	27 Å²	27	23.9 Å²	23.9	13%	0.126	12%	0.12	C	C	.	.			trans	-108.3	6.3	175.3	-70.8	76.6	12.8	0	0	112.8	N96 H97 Q121 R126 T541	N96-Q124 PolarHBondContact ND2-OE1 3.24Å; H97-Q124 PolarHBondContact ND1-NE2 2.76Å; Q121-Q124 VanDerWaalsContact CB-NE2 3.27Å; Q124-R126 CarbonylContact O-C 3.5Å; Q124-R126 WeakPolarHBondContact O-CA 3.16Å; Q124-R126 PolarHBondContact O-N 2.82Å; Q124-T541 WeakPolarHBondContact CB-OXT 3.05Å
125	H	96.9	Very high	98.4	Very high	19 Å²	19	19.3 Å²	19.3	9%	0.088	9%	0.092	C	C	.	.	S	Bend	trans	-50.9	-23.6	178.8	81.7	-73.3	0	0	0	113.5	S123 V532 Y533	S123-H125 PolarHBondContact OG-N 2.74Å; S123-H125 PolarHBondContact OG-ND1 2.63Å; H125-V532 HydrophobicContact CB-CG1 4.01Å; H125-V532 WeakPolarHBondContact O-CG1 3.36Å; H125-Y533 HydrophobicContact CB-CD2 4.36Å; H125-Y533 HydrophobicContact CB-CE2 3.69Å
126	R	97.6	Very high	98.2	Very high	122 Å²	122	20.3 Å²	20.3	46%	0.46	10%	0.1	S	C	.	.	S	Bend	trans	-125.7	137	159.4	-62.6	-64.9	-175.3	179	0.2	108.9	Q124 G163	Q124-R126 CarbonylContact O-C 3.5Å; Q124-R126 WeakPolarHBondContact O-CA 3.16Å; Q124-R126 PolarHBondContact O-N 2.82Å; R126-G163 WeakPolarHBondContact O-CA 3.44Å; R126-G163 PolarHBondContact O-N 2.84Å
127	T	97	Very high	98.1	Very high	95 Å²	95	20.4 Å²	20.4	58%	0.583	11%	0.105	S	C	*	.	S	Bend	trans	-109.7	142.3	170.1	51	0	0	0	0	110.1
128	P	98.6	Very high	97.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.013	14%	0.135	C	C	.	.	S	Bend	cis	-76.4	168.6	-1.1	32.9	-37.9	0	0	0	114	F162 G163 I202 V204 W425	P128-F162 HydrophobicContact CG-CD1 3.66Å; P128-F162 HydrophobicContact CG-CE1 3.5Å; P128-F162 VanDerWaalsContact CG-CE1 3.5Å; P128-F162 WeakPolarHBondContact O-CA 3.42Å; P128-F162 WeakPolarHBondContact O-CB 3.3Å; P128-F162 WeakPolarHBondContact O-CD1 3.37Å; P128-G163 PolarHBondContact O-N 2.86Å; P128-G163 VanDerWaalsContact O-N 3.16Å; P128-I202 CarbonylContact C-O 3.53Å; P128-I202 WeakPolarHBondContact CA-O 3.11Å; P128-V204 HydrophobicContact CB-CG2 3.96Å; P128-V204 HydrophobicContact CG-CG2 3.84Å; P128-W425 HydrophobicContact CG-CZ2 3.83Å
129	C	98.8	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	155.6	162.1	-73.6	0	0	0	0	111.2	Q121 S123 G163 A165 I202 D203 V204	Q121-C129 HydrophobicContact CG-CB 4.36Å; S123-C129 PolarHBondContact O-SG 3.39Å; S123-C129 VanDerWaalsContact O-SG 3.4Å; C129-G163 CarbonylContact C-O 3.58Å; C129-G163 VanDerWaalsContact CA-O 3.29Å; C129-G163 WeakPolarHBondContact CA-O 3.46Å; C129-A165 HydrophobicContact CB-CB 3.9Å; C129-I202 PolarHBondContact N-O 3.34Å; C129-D203 HydrophobicContact CB-CB 3.95Å; C129-D203 WeakPolarHBondContact CB-OD1 3.2Å; C129-D203 CarbonylContact O-C 3.57Å; C129-D203 WeakPolarHBondContact O-CA 3.31Å; C129-V204 PolarHBondContact O-N 3.48Å
130	K	98.8	Very high	97.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	128.7	-177.7	-168	79	-164.1	72.5	0	111.9	F162 G163 A165 V204 P205 A206 T239 V418	K130-F162 HydrophobicContact CB-CB 3.58Å; K130-F162 HydrophobicContact CB-CD2 3.56Å; K130-F162 HydrophobicContact CB-CE2 4.37Å; K130-F162 HydrophobicContact CB-CG 3.7Å; K130-F162 HydrophobicContact CD-CD2 3.78Å; K130-F162 HydrophobicContact CD-CE2 3.72Å; K130-F162 HydrophobicContact CD-CG 4.46Å; K130-F162 HydrophobicContact CD-CZ 4.35Å; K130-F162 HydrophobicContact CG-CD2 3.6Å; K130-F162 HydrophobicContact CG-CE2 4.04Å; K130-F162 HydrophobicContact CG-CG 4.26Å; K130-G163 PolarHBondContact N-O 3.25Å; K130-A165 PolarHBondContact O-N 3.42Å; K130-V204 HydrophobicContact CD-CB 3.96Å; K130-V204 HydrophobicContact CD-CG1 4.05Å; K130-V204 VanDerWaalsContact CD-O 3.29Å; K130-V204 WeakPolarHBondContact CD-O 3.2Å; K130-V204 WeakPolarHBondContact CE-O 3.37Å; K130-V204 PolarHBondContact NZ-O 3.47Å; K130-P205 PolarHBondContact NZ-O 2.74Å; K130-A206 VanDerWaalsContact NZ-CB 3.28Å; K130-T239 WeakPolarHBondContact CE-OG1 3.31Å; K130-T239 PolarHBondContact NZ-OG1 2.94Å; K130-V418 HydrophobicContact CG-CG2 3.86Å
131	G	98.3	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	144.5	-174.9	0	0	0	0	0	115.4	A165 V204 P205 A206	G131-A165 WeakPolarHBondContact CA-O 3.47Å; G131-V204 PolarHBondContact N-O 3.45Å; G131-P205 CarbonylContact O-C 3.5Å; G131-P205 WeakPolarHBondContact O-CA 3.45Å; G131-A206 PolarHBondContact O-N 2.94Å; G131-A206 VanDerWaalsContact O-N 3.08Å
132	G	98.2	Very high	97.4	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	170.7	175.7	0	0	0	0	0	114.3	K166 A167 A206	G132-K166 WeakPolarHBondContact O-CD 3.07Å; G132-A167 PolarHBondContact O-N 2.84Å; G132-A206 CarbonylContact C-O 3.14Å; G132-A206 WeakPolarHBondContact CA-O 3.27Å
133	I	98.8	Very high	97.2	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.6	167.7	-50.9	-170.8	0	0	0	108.4	Y135 A167 F188 P205 A206 D208 T211 I219	I133-Y135 HydrophobicContact CG2-CD1 4.17Å; I133-Y135 HydrophobicContact CG2-CE1 3.72Å; I133-A167 WeakPolarHBondContact CA-O 3.47Å; I133-A167 HydrophobicContact CB-CB 4.43Å; I133-A167 HydrophobicContact CG1-CB 4.1Å; I133-A167 HydrophobicContact CG2-CB 4.24Å; I133-F188 HydrophobicContact CD1-CE1 4.38Å; I133-F188 HydrophobicContact CG2-CE1 4.14Å; I133-P205 HydrophobicContact CD1-CB 3.73Å; I133-P205 HydrophobicContact CD1-CG 4.3Å; I133-P205 HydrophobicContact CG1-CB 3.79Å; I133-A206 PolarHBondContact N-O 2.82Å; I133-D208 WeakPolarHBondContact O-CB 3.49Å; I133-D208 PolarHBondContact O-N 3.17Å; I133-T211 VanDerWaalsContact O-CG2 3.28Å; I133-T211 WeakPolarHBondContact O-CG2 3.25Å; I133-T211 PolarHBondContact O-OG1 3Å; I133-I219 HydrophobicContact CD1-CD1 3.57Å
134	R	98.4	Very high	97.2	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.7	-179.5	172.2	169.8	-64.7	-166.3	-5.9	111.2	V139 E143 A167 G168 V169 D208 M209 E368	R134-V139 HydrophobicContact CB-CG2 4.47Å; R134-V139 HydrophobicContact CG-CG2 3.98Å; R134-E143 WeakPolarHBondContact CD-OE1 3.38Å; R134-E143 IonicContact CZ-OE1 2.72Å; R134-E143 IonicContact NE-OE1 3.43Å; R134-E143 IonicContact NH1-OE1 2.79Å; R134-E143 PolarHBondContact NH1-OE1 3.27Å; R134-A167 PolarHBondContact N-O 2.62Å; R134-G168 CarbonylContact O-C 3.21Å; R134-G168 VanDerWaalsContact O-CA 3.23Å; R134-G168 WeakPolarHBondContact O-CA 3.43Å; R134-V169 PolarHBondContact O-N 2.61Å; R134-D208 HydrophobicContact CB-CB 4.15Å; R134-D208 IonicContact CZ-OD1 2.64Å; R134-D208 IonicContact NE-OD1 3.6Å; R134-D208 PolarHBondContact NE-OD1 3.45Å; R134-D208 IonicContact NH2-OD1 3.5Å; R134-D208 PolarHBondContact NH2-OD1 2.78Å; R134-M209 HydrophobicContact CG-CB 4.13Å; R134-M209 PolarHBondContact NH2-SD 3.27Å; R134-E368 IonicContact CZ-OE2 2.7Å; R134-E368 IonicContact NH1-OE2 3.94Å; R134-E368 PolarHBondContact NH1-OE2 3.48Å
135	Y	98.5	Very high	97.3	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	107.8	168.5	-70.6	2.2	0	0	0	108.7	I133 V169 I171 T173 L181 T185 M209 S210 T211 E215	I133-Y135 HydrophobicContact CG2-CD1 4.17Å; I133-Y135 HydrophobicContact CG2-CE1 3.72Å; Y135-V169 HydrophobicContact CD1-CB 3.57Å; Y135-V169 HydrophobicContact CD1-CG2 3.9Å; Y135-V169 HydrophobicContact CE1-CB 3.55Å; Y135-V169 HydrophobicContact CE1-CG1 4.37Å; Y135-V169 HydrophobicContact CE1-CG2 3.4Å; Y135-V169 VanDerWaalsContact CE1-CG2 3.4Å; Y135-I171 CarbonylContact C-O 3.59Å; Y135-I171 HydrophobicContact CD2-CD1 3.85Å; Y135-I171 HydrophobicContact CD2-CG1 4.39Å; Y135-I171 HydrophobicContact CE2-CD1 4.17Å; Y135-I171 HydrophobicContact CG-CD1 4.14Å; Y135-I171 HydrophobicContact CG-CG1 4.2Å; Y135-T173 HydrophobicContact CD2-CG2 3.65Å; Y135-T173 HydrophobicContact CG-CG2 4.1Å; Y135-L181 HydrophobicContact CD2-CD2 4.45Å; Y135-L181 HydrophobicContact CE2-CD2 4.43Å; Y135-T185 WeakPolarHBondContact OH-CA 3.47Å; Y135-T185 WeakPolarHBondContact OH-CB 3.2Å; Y135-T185 PolarHBondContact OH-OG1 3.09Å; Y135-M209 PolarHBondContact N-O 2.97Å; Y135-S210 VanDerWaalsContact O-CB 3.23Å; Y135-S210 WeakPolarHBondContact O-CB 3.39Å; Y135-S210 PolarHBondContact O-OG 2.9Å; Y135-T211 HydrophobicContact CD1-CG2 3.72Å; Y135-T211 HydrophobicContact CD2-CG2 3.8Å; Y135-T211 HydrophobicContact CE1-CG2 3.99Å; Y135-T211 HydrophobicContact CE2-CG2 4.1Å; Y135-T211 HydrophobicContact CG-CG2 3.64Å; Y135-E215 HydrophobicContact CE2-CG 4.2Å
136	S	96.4	Very high	97.3	Very high	24 Å²	24	32.7 Å²	32.7	17%	0.168	17%	0.173	C	C	.	.			trans	-160.1	151	179.4	178.1	0	0	0	0	110.6	E138 V139 V169 K170 I171	S136-E138 PolarHBondContact O-N 3.11Å; S136-E138 PolarHBondContact OG-N 3.03Å; S136-V139 WeakPolarHBondContact O-CB 3.34Å; S136-V139 VanDerWaalsContact O-CG2 3.29Å; S136-V139 WeakPolarHBondContact O-CG2 3.38Å; S136-V139 PolarHBondContact O-N 3.48Å; S136-V169 PolarHBondContact N-O 3.04Å; S136-K170 VanDerWaalsContact O-CA 3.31Å; S136-K170 WeakPolarHBondContact O-CA 3.12Å; S136-I171 CarbonylContact C-O 3.47Å; S136-I171 WeakPolarHBondContact CA-O 3.47Å; S136-I171 PolarHBondContact N-O 2.74Å; S136-I171 VanDerWaalsContact N-O 3.16Å; S136-I171 PolarHBondContact O-N 3.3Å
137	T	95.4	Very high	97.4	Very high	74 Å²	74	27 Å²	27	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.8	172.8	48.8	0	0	0	0	113	V139 I171 N172	T137-V139 PolarHBondContact O-N 3.35Å; T137-I171 PolarHBondContact N-O 3.08Å; T137-N172 HydrophobicContact CG2-CB 3.91Å
138	E	93.3	Very high	97.5	Very high	135 Å²	135	22.4 Å²	22.4	63%	0.631	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.5	178.6	-57.2	-49.7	123.9	0	0	113.3	S136 S140	S136-E138 PolarHBondContact O-N 3.11Å; S136-E138 PolarHBondContact OG-N 3.03Å; E138-S140 PolarHBondContact O-N 3.44Å
139	V	95.3	Very high	97.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.124	C	C	.	.			trans	-57.2	126.2	178.9	166.3	0	0	0	0	110.3	Y118 R134 S136 T137 E143 V144 K170	Y118-V139 HydrophobicContact CD2-CG1 3.6Å; Y118-V139 HydrophobicContact CE2-CG1 3.95Å; R134-V139 HydrophobicContact CB-CG2 4.47Å; R134-V139 HydrophobicContact CG-CG2 3.98Å; S136-V139 WeakPolarHBondContact O-CB 3.34Å; S136-V139 VanDerWaalsContact O-CG2 3.29Å; S136-V139 WeakPolarHBondContact O-CG2 3.38Å; S136-V139 PolarHBondContact O-N 3.48Å; T137-V139 PolarHBondContact O-N 3.35Å; V139-E143 WeakPolarHBondContact CA-OE2 3.46Å; V139-V144 HydrophobicContact CG1-CG2 4.19Å; V139-K170 HydrophobicContact CB-CB 4.29Å; V139-K170 HydrophobicContact CB-CG 4.41Å; V139-K170 HydrophobicContact CG1-CB 4.48Å
140	S	96.9	Very high	97.4	Very high	48 Å²	48	22.5 Å²	22.5	34%	0.336	12%	0.124	S	C	.	.			trans	-142.3	163.2	175.2	66	0	0	0	0	110.7	E138 D142 E143 V144	E138-S140 PolarHBondContact O-N 3.44Å; S140-D142 VanDerWaalsContact C-N 3.27Å; S140-D142 PolarHBondContact O-N 3.2Å; S140-E143 PolarHBondContact O-N 3Å; S140-E143 WeakPolarHBondContact OG-CB 3.18Å; S140-E143 PolarHBondContact OG-N 3.3Å; S140-V144 WeakPolarHBondContact O-CG2 3.46Å; S140-V144 PolarHBondContact O-N 3.07Å
141	V	97.4	Very high	97.4	Very high	47 Å²	47	23.1 Å²	23.1	29%	0.285	13%	0.127	S	C	.	.	H	α-helix	trans	-56.9	-42.1	177.4	172	0	0	0	0	111.6	V98 Y118 V144 K145	V98-V141 HydrophobicContact CG1-CG1 4.09Å; Y118-V141 HydrophobicContact CD1-CG2 3.51Å; Y118-V141 HydrophobicContact CE1-CG2 3.5Å; Y118-V141 HydrophobicContact CG-CG2 4.16Å; V141-V144 PolarHBondContact O-N 2.83Å; V141-K145 HydrophobicContact CG1-CD 3.76Å; V141-K145 HydrophobicContact CG1-CG 4.38Å; V141-K145 WeakPolarHBondContact O-CB 3.2Å; V141-K145 VanDerWaalsContact O-CG 3.26Å; V141-K145 WeakPolarHBondContact O-CG 3.31Å; V141-K145 PolarHBondContact O-N 3.16Å
142	D	95.5	Very high	97.4	Very high	61 Å²	61	23.1 Å²	23.1	33%	0.326	13%	0.127	S	C	.	.	H	α-helix	trans	-70.2	-40	-178.2	-75.6	-22	0	0	0	112.6	N48 S140 V144 K145 A146	N48-D142 PolarHBondContact ND2-OD2 3.26Å; S140-D142 VanDerWaalsContact C-N 3.27Å; S140-D142 PolarHBondContact O-N 3.2Å; D142-V144 VanDerWaalsContact C-N 3.35Å; D142-K145 PolarHBondContact O-N 3.04Å; D142-K145 IonicContact OD1-NZ 2.75Å; D142-K145 PolarHBondContact OD1-NZ 2.95Å; D142-A146 WeakPolarHBondContact O-CB 3.28Å; D142-A146 PolarHBondContact O-N 3.47Å
143	E	96.1	Very high	97.5	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-46.9	172.9	-172.8	-144.9	-151.1	0	0	110.7	F49 R134 V139 S140 K145 A146 L147	F49-E143 HydrophobicContact CD1-CB 4.46Å; F49-E143 HydrophobicContact CD1-CG 3.95Å; F49-E143 HydrophobicContact CE1-CG 4.3Å; R134-E143 WeakPolarHBondContact CD-OE1 3.38Å; R134-E143 IonicContact CZ-OE1 2.72Å; R134-E143 IonicContact NE-OE1 3.43Å; R134-E143 IonicContact NH1-OE1 2.79Å; R134-E143 PolarHBondContact NH1-OE1 3.27Å; V139-E143 WeakPolarHBondContact CA-OE2 3.46Å; S140-E143 PolarHBondContact O-N 3Å; S140-E143 WeakPolarHBondContact OG-CB 3.18Å; S140-E143 PolarHBondContact OG-N 3.3Å; E143-K145 PolarHBondContact O-N 3.29Å; E143-A146 PolarHBondContact O-N 2.88Å; E143-L147 HydrophobicContact CG-CD1 3.87Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.28Å; E143-L147 WeakPolarHBondContact O-CG 3.43Å; E143-L147 PolarHBondContact O-N 3.04Å
144	V	98.2	Very high	97.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-38.7	-179.8	173.5	0	0	0	0	111.6	A120 V139 S140 V141 D142 A148 K166	A120-V144 HydrophobicContact CB-CG1 3.82Å; V139-V144 HydrophobicContact CG1-CG2 4.19Å; S140-V144 WeakPolarHBondContact O-CG2 3.46Å; S140-V144 PolarHBondContact O-N 3.07Å; V141-V144 PolarHBondContact O-N 2.83Å; D142-V144 VanDerWaalsContact C-N 3.35Å; V144-A148 VanDerWaalsContact O-CB 3.27Å; V144-A148 WeakPolarHBondContact O-CB 3.37Å; V144-A148 PolarHBondContact O-N 2.8Å; V144-K166 HydrophobicContact CG1-CB 4.21Å; V144-K166 HydrophobicContact CG1-CG 4.47Å; V144-K166 WeakPolarHBondContact CG1-O 3.49Å
145	K	98.7	Very high	97.5	Very high	47 Å²	47	22.8 Å²	22.8	20%	0.204	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-45.1	173.3	-74.4	164.7	59.8	-164.6	0	112.2	F50 V98 A120 V141 D142 E143 L147 A148 S149	F50-K145 HydrophobicContact CD2-CB 3.64Å; F50-K145 HydrophobicContact CE2-CB 4.02Å; F50-K145 HydrophobicContact CG-CB 4.11Å; V98-K145 HydrophobicContact CG2-CD 4.23Å; V98-K145 HydrophobicContact CG2-CG 3.89Å; A120-K145 HydrophobicContact CB-CG 4.26Å; V141-K145 HydrophobicContact CG1-CD 3.76Å; V141-K145 HydrophobicContact CG1-CG 4.38Å; V141-K145 WeakPolarHBondContact O-CB 3.2Å; V141-K145 VanDerWaalsContact O-CG 3.26Å; V141-K145 WeakPolarHBondContact O-CG 3.31Å; V141-K145 PolarHBondContact O-N 3.16Å; D142-K145 PolarHBondContact O-N 3.04Å; D142-K145 IonicContact OD1-NZ 2.75Å; D142-K145 PolarHBondContact OD1-NZ 2.95Å; E143-K145 PolarHBondContact O-N 3.29Å; K145-L147 PolarHBondContact O-N 2.8Å; K145-A148 PolarHBondContact O-N 3.2Å; K145-S149 PolarHBondContact O-N 3.04Å; K145-S149 PolarHBondContact O-OG 2.95Å
146	A	97.9	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-46.2	178.7	0	0	0	0	0	111.7	F49 F50 V53 D142 E143 A148 S149 L150	F49-A146 HydrophobicContact CB-CB 3.9Å; F49-A146 HydrophobicContact CD1-CB 3.68Å; F49-A146 HydrophobicContact CD2-CB 3.85Å; F49-A146 HydrophobicContact CE1-CB 4.16Å; F49-A146 HydrophobicContact CE2-CB 4.29Å; F49-A146 HydrophobicContact CG-CB 3.51Å; F49-A146 HydrophobicContact CZ-CB 4.44Å; F50-A146 HydrophobicContact CB-CB 4.22Å; F50-A146 HydrophobicContact CD2-CB 4.44Å; V53-A146 HydrophobicContact CG2-CB 4.19Å; D142-A146 WeakPolarHBondContact O-CB 3.28Å; D142-A146 PolarHBondContact O-N 3.47Å; E143-A146 PolarHBondContact O-N 2.88Å; A146-A148 VanDerWaalsContact C-N 3.33Å; A146-A148 PolarHBondContact O-N 3.16Å; A146-S149 PolarHBondContact O-N 2.85Å; A146-S149 PolarHBondContact O-OG 3.39Å; A146-L150 WeakPolarHBondContact O-CG 3.36Å; A146-L150 PolarHBondContact O-N 2.9Å
147	L	98.1	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-32.8	178.7	-69.7	171.2	0	0	0	112	F49 E143 K145 L150 M151 K166 N389	F49-L147 HydrophobicContact CE1-CD1 4.48Å; F49-L147 HydrophobicContact CE1-CD2 3.74Å; F49-L147 HydrophobicContact CE1-CG 3.81Å; F49-L147 HydrophobicContact CZ-CD2 3.93Å; F49-L147 HydrophobicContact CZ-CG 4.41Å; E143-L147 HydrophobicContact CG-CD1 3.87Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.28Å; E143-L147 WeakPolarHBondContact O-CG 3.43Å; E143-L147 PolarHBondContact O-N 3.04Å; K145-L147 PolarHBondContact O-N 2.8Å; L147-L150 HydrophobicContact CD2-CD1 4.41Å; L147-M151 WeakPolarHBondContact O-CG 3.23Å; L147-M151 PolarHBondContact O-N 3.42Å; L147-M151 VanDerWaalsContact O-N 3.11Å; L147-K166 HydrophobicContact CB-CB 3.91Å; L147-K166 HydrophobicContact CB-CD 4.14Å; L147-K166 HydrophobicContact CB-CG 3.58Å; L147-K166 HydrophobicContact CD1-CD 4.45Å; L147-K166 HydrophobicContact CD1-CG 4.11Å; L147-N389 HydrophobicContact CD2-CB 3.53Å
148	A	98.8	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-39.5	175	0	0	0	0	0	112.6	A120 H122 V144 K145 A146 M151 T152 G164 K166	A120-A148 HydrophobicContact CB-CB 3.83Å; H122-A148 HydrophobicContact CB-CB 4.04Å; H122-A148 WeakPolarHBondContact CB-O 3.14Å; V144-A148 VanDerWaalsContact O-CB 3.27Å; V144-A148 WeakPolarHBondContact O-CB 3.37Å; V144-A148 PolarHBondContact O-N 2.8Å; K145-A148 PolarHBondContact O-N 3.2Å; A146-A148 VanDerWaalsContact C-N 3.33Å; A146-A148 PolarHBondContact O-N 3.16Å; A148-M151 PolarHBondContact O-N 3.38Å; A148-T152 PolarHBondContact O-N 3.25Å; A148-T152 PolarHBondContact O-OG1 2.96Å; A148-G164 CarbonylContact O-C 3.57Å; A148-G164 WeakPolarHBondContact O-CA 3.48Å; A148-K166 HydrophobicContact CB-CB 4.04Å
149	S	98.6	Very high	98	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-67.5	-44.1	175.1	61.9	0	0	0	0	111.7	V53 H122 K145 A146 M151 T152 Y153	V53-S149 WeakPolarHBondContact CG1-OG 3.48Å; H122-S149 WeakPolarHBondContact CD2-CB 3.23Å; H122-S149 VanDerWaalsContact CG-CA 3.48Å; H122-S149 VanDerWaalsContact NE2-CB 3.35Å; H122-S149 WeakPolarHBondContact NE2-CB 3.26Å; K145-S149 PolarHBondContact O-N 3.04Å; K145-S149 PolarHBondContact O-OG 2.95Å; A146-S149 PolarHBondContact O-N 2.85Å; A146-S149 PolarHBondContact O-OG 3.39Å; S149-M151 PolarHBondContact O-N 3.14Å; S149-T152 WeakPolarHBondContact O-CB 3.5Å; S149-T152 PolarHBondContact O-N 3.28Å; S149-Y153 WeakPolarHBondContact O-CD2 3.32Å; S149-Y153 PolarHBondContact O-N 3.44Å
150	L	98.3	Very high	98.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-54.3	-39.1	172	-75	172.5	0	0	0	112.3	F49 V53 A146 L147 T152 Y153 K154 N389 M411	F49-L150 HydrophobicContact CE2-CD1 4.25Å; F49-L150 HydrophobicContact CZ-CD1 4.08Å; V53-L150 HydrophobicContact CG1-CD2 3.98Å; V53-L150 HydrophobicContact CG1-CG 4.05Å; V53-L150 HydrophobicContact CG2-CD1 4.02Å; V53-L150 HydrophobicContact CG2-CD2 4.08Å; V53-L150 HydrophobicContact CG2-CG 3.85Å; A146-L150 WeakPolarHBondContact O-CG 3.36Å; A146-L150 PolarHBondContact O-N 2.9Å; L147-L150 HydrophobicContact CD2-CD1 4.41Å; L150-T152 VanDerWaalsContact C-N 3.31Å; L150-T152 PolarHBondContact O-N 3.03Å; L150-Y153 PolarHBondContact O-N 2.89Å; L150-K154 WeakPolarHBondContact O-CB 3.5Å; L150-K154 PolarHBondContact O-N 2.91Å; L150-N389 HydrophobicContact CD1-CB 4.19Å; L150-M411 HydrophobicContact CD2-CG 3.69Å; L150-M411 HydrophobicContact CD2-SD 3.99Å
151	M	98.6	Very high	98.2	Very high	15 Å²	15	16 Å²	16	7%	0.074	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-35.3	176	-75.3	-58	-55.5	0	0	113	L147 A148 S149 K154 C155 A165 V418	L147-M151 WeakPolarHBondContact O-CG 3.23Å; L147-M151 PolarHBondContact O-N 3.42Å; L147-M151 VanDerWaalsContact O-N 3.11Å; A148-M151 PolarHBondContact O-N 3.38Å; S149-M151 PolarHBondContact O-N 3.14Å; M151-K154 HydrophobicContact CE-CD 4.47Å; M151-K154 HydrophobicContact SD-CD 4Å; M151-C155 WeakPolarHBondContact O-CB 3.48Å; M151-C155 PolarHBondContact O-N 2.85Å; M151-C155 PolarHBondContact O-SG 3.26Å; M151-A165 WeakPolarHBondContact CG-O 3.15Å; M151-V418 HydrophobicContact CE-CB 4.04Å; M151-V418 HydrophobicContact CE-CG2 3.76Å
152	T	98.8	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.7	-50.6	177.5	-59.6	0	0	0	0	110.5	H122 A148 S149 L150 C155 A156 G164 I529	H122-T152 VanDerWaalsContact ND1-CB 3.34Å; H122-T152 WeakPolarHBondContact ND1-CB 3.44Å; H122-T152 PolarHBondContact ND1-OG1 3.26Å; A148-T152 PolarHBondContact O-N 3.25Å; A148-T152 PolarHBondContact O-OG1 2.96Å; S149-T152 WeakPolarHBondContact O-CB 3.5Å; S149-T152 PolarHBondContact O-N 3.28Å; L150-T152 VanDerWaalsContact C-N 3.31Å; L150-T152 PolarHBondContact O-N 3.03Å; T152-C155 PolarHBondContact O-N 2.95Å; T152-A156 PolarHBondContact O-N 3.41Å; T152-G164 WeakPolarHBondContact OG1-CA 3.38Å; T152-G164 PolarHBondContact OG1-N 2.7Å; T152-I529 HydrophobicContact CG2-CD1 3.79Å
153	Y	98.6	Very high	98.4	Very high	2 Å²	2	11 Å²	11	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-40.2	-177.8	-52.6	-45	0	0	0	111.7	V53 F57 I92 H122 S149 L150 A156 I157 M411 Y522 A525 I529	V53-Y153 HydrophobicContact CG1-CD2 4.5Å; V53-Y153 HydrophobicContact CG1-CE2 4.09Å; F57-Y153 HydrophobicContact CD2-CD1 4.49Å; F57-Y153 AromaticContact CD2-CE1 3.62Å; F57-Y153 HydrophobicContact CD2-CE1 3.62Å; F57-Y153 HydrophobicContact CD2-CE2 4.23Å; F57-Y153 AromaticContact CD2-CZ 3.45Å; F57-Y153 VanDerWaalsContact CD2-CZ 3.45Å; F57-Y153 VanDerWaalsContact CD2-OH 3.27Å; F57-Y153 WeakPolarHBondContact CD2-OH 3.42Å; F57-Y153 AromaticContact CE2-CE1 3.77Å; F57-Y153 HydrophobicContact CE2-CE1 3.77Å; F57-Y153 AromaticContact CE2-CZ 3.98Å; I92-Y153 HydrophobicContact CG2-CE1 4.16Å; H122-Y153 AromaticContact CE1-CZ 3.89Å; S149-Y153 WeakPolarHBondContact O-CD2 3.32Å; S149-Y153 PolarHBondContact O-N 3.44Å; L150-Y153 PolarHBondContact O-N 2.89Å; Y153-A156 WeakPolarHBondContact O-CB 3.35Å; Y153-A156 PolarHBondContact O-N 3.06Å; Y153-I157 WeakPolarHBondContact O-CD1 3.41Å; Y153-I157 WeakPolarHBondContact O-CG1 3.49Å; Y153-I157 PolarHBondContact O-N 2.95Å; Y153-M411 WeakPolarHBondContact CB-SD 3.45Å; Y153-M411 HydrophobicContact CD2-SD 4.11Å; Y153-M411 HydrophobicContact CG-SD 4.23Å; Y153-Y522 HydrophobicContact CD2-CD1 4.33Å; Y153-Y522 AromaticContact CD2-CE1 3.54Å; Y153-Y522 HydrophobicContact CD2-CE1 3.54Å; Y153-Y522 AromaticContact CE2-CE1 3.87Å; Y153-Y522 HydrophobicContact CE2-CE1 3.87Å; Y153-Y522 HydrophobicContact CG-CD1 4.48Å; Y153-Y522 HydrophobicContact CG-CE1 4.08Å; Y153-A525 HydrophobicContact CD1-CB 4.31Å; Y153-I529 HydrophobicContact CD1-CD1 3.66Å; Y153-I529 HydrophobicContact CE1-CD1 4.07Å
154	K	98.5	Very high	98.5	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.035	6%	0.058	C	C	.	.	H	α-helix	trans	-56.8	-52	173	177.8	-178.1	-53.8	-177.3	0	112	L150 M151 A156 I157 V158 N389 M411 N414 A415 V418	L150-K154 WeakPolarHBondContact O-CB 3.5Å; L150-K154 PolarHBondContact O-N 2.91Å; M151-K154 HydrophobicContact CE-CD 4.47Å; M151-K154 HydrophobicContact SD-CD 4Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 PolarHBondContact O-N 2.86Å; K154-I157 PolarHBondContact O-N 2.93Å; K154-I157 VanDerWaalsContact O-N 3.13Å; K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.44Å; K154-V158 PolarHBondContact O-N 3.36Å; K154-V158 VanDerWaalsContact O-N 3.16Å; K154-N389 PolarHBondContact NZ-OD1 2.84Å; K154-M411 WeakPolarHBondContact CA-O 3.43Å; K154-M411 HydrophobicContact CB-CB 4.4Å; K154-M411 VanDerWaalsContact CG-O 3.31Å; K154-M411 WeakPolarHBondContact CG-O 3.33Å; K154-N414 WeakPolarHBondContact CE-OD1 3.44Å; K154-N414 PolarHBondContact NZ-OD1 2.95Å; K154-A415 HydrophobicContact CD-CB 4.26Å; K154-A415 HydrophobicContact CG-CB 3.72Å; K154-V418 HydrophobicContact CD-CG1 4.07Å; K154-V418 HydrophobicContact CG-CG1 4.07Å
155	C	98.8	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.3	-43.3	176.3	-75.1	0	0	0	0	111.7	M151 T152 V158 D159 V160 F162	M151-C155 WeakPolarHBondContact O-CB 3.48Å; M151-C155 PolarHBondContact O-N 2.85Å; M151-C155 PolarHBondContact O-SG 3.26Å; T152-C155 PolarHBondContact O-N 2.95Å; C155-V158 CarbonylContact O-C 3.57Å; C155-V158 PolarHBondContact O-N 2.76Å; C155-D159 PolarHBondContact O-N 3.34Å; C155-D159 VanDerWaalsContact O-N 3.08Å; C155-V160 HydrophobicContact CB-CB 4.32Å; C155-V160 WeakPolarHBondContact CB-O 3.49Å; C155-V160 PolarHBondContact O-N 2.81Å; C155-F162 WeakPolarHBondContact CB-O 3.3Å
156	A	98.8	Very high	98.6	Very high	10 Å²	10	8.4 Å²	8.4	8%	0.083	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-41.7	176.2	0	0	0	0	0	112.8	T152 Y153 K154 V158 D159 A525 K528 I529	T152-A156 PolarHBondContact O-N 3.41Å; Y153-A156 WeakPolarHBondContact O-CB 3.35Å; Y153-A156 PolarHBondContact O-N 3.06Å; K154-A156 VanDerWaalsContact C-N 3.28Å; K154-A156 PolarHBondContact O-N 2.86Å; A156-V158 VanDerWaalsContact C-N 3.33Å; A156-V158 PolarHBondContact O-N 3.01Å; A156-D159 PolarHBondContact O-N 3.32Å; A156-A525 HydrophobicContact CB-CB 4.15Å; A156-K528 HydrophobicContact CB-CB 4.41Å; A156-K528 WeakPolarHBondContact O-CD 3.36Å; A156-K528 WeakPolarHBondContact O-CE 3.33Å; A156-K528 PolarHBondContact O-NZ 3.26Å; A156-I529 HydrophobicContact CB-CD1 4Å; A156-I529 HydrophobicContact CB-CG1 3.9Å
157	I	98.4	Very high	98.6	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-60.5	-42.6	179	-73.1	155.3	0	0	0	111.6	Y153 K154 M411 Y412 S500 I504 A521 A525 K528	Y153-I157 WeakPolarHBondContact O-CD1 3.41Å; Y153-I157 WeakPolarHBondContact O-CG1 3.49Å; Y153-I157 PolarHBondContact O-N 2.95Å; K154-I157 PolarHBondContact O-N 2.93Å; K154-I157 VanDerWaalsContact O-N 3.13Å; I157-M411 HydrophobicContact CD1-CB 3.52Å; I157-M411 HydrophobicContact CD1-CE 3.8Å; I157-M411 HydrophobicContact CD1-SD 4.26Å; I157-Y412 HydrophobicContact CG2-CD2 4.2Å; I157-S500 PolarHBondContact O-OG 3.29Å; I157-I504 HydrophobicContact CG2-CD1 4.19Å; I157-A521 HydrophobicContact CD1-CB 3.82Å; I157-A521 HydrophobicContact CG1-CB 4.4Å; I157-A525 HydrophobicContact CD1-CB 4.39Å; I157-A525 HydrophobicContact CG1-CB 4.08Å; I157-K528 PolarHBondContact O-NZ 2.84Å
158	V	98.5	Very high	98.6	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.024	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	15.4	-179.6	-66.4	0	0	0	0	115	K154 C155 A156 V160 A415 V418 T496 S500	K154-V158 VanDerWaalsContact O-CG2 3.29Å; K154-V158 WeakPolarHBondContact O-CG2 3.44Å; K154-V158 PolarHBondContact O-N 3.36Å; K154-V158 VanDerWaalsContact O-N 3.16Å; C155-V158 CarbonylContact O-C 3.57Å; C155-V158 PolarHBondContact O-N 2.76Å; A156-V158 VanDerWaalsContact C-N 3.33Å; A156-V158 PolarHBondContact O-N 3.01Å; V158-V160 HydrophobicContact CB-CG2 4.48Å; V158-V160 HydrophobicContact CG2-CB 4.23Å; V158-V160 HydrophobicContact CG2-CG2 3.66Å; V158-V160 PolarHBondContact O-N 3.1Å; V158-V160 VanDerWaalsContact O-N 3.13Å; V158-A415 HydrophobicContact CB-CB 4.28Å; V158-A415 HydrophobicContact CG1-CB 3.42Å; V158-A415 VanDerWaalsContact CG1-CB 3.42Å; V158-A415 HydrophobicContact CG2-CB 3.9Å; V158-V418 HydrophobicContact CG2-CG1 4.19Å; V158-T496 HydrophobicContact CB-CG2 3.63Å; V158-T496 HydrophobicContact CG1-CG2 4.04Å; V158-T496 WeakPolarHBondContact O-CG2 3.3Å; V158-S500 WeakPolarHBondContact CA-OG 3.44Å
159	D	98.5	Very high	98.6	Very high	75 Å²	75	8.3 Å²	8.3	40%	0.401	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	31.6	178.1	-65.4	-40.9	0	0	0	113.4	C155 A156 R499 K528	C155-D159 PolarHBondContact O-N 3.34Å; C155-D159 VanDerWaalsContact O-N 3.08Å; A156-D159 PolarHBondContact O-N 3.32Å; D159-R499 IonicContact OD2-NE 2.63Å; D159-K528 VanDerWaalsContact CG-NZ 3.35Å; D159-K528 WeakPolarHBondContact OD1-CE 3.45Å; D159-K528 IonicContact OD1-NZ 3.57Å; D159-K528 PolarHBondContact OD1-NZ 2.83Å; D159-K528 IonicContact OD2-NZ 3.87Å
160	V	98.6	Very high	98.6	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.055	7%	0.067	C	C	.	.			trans	-87.8	124.3	174.2	172.4	0	0	0	0	108.7	C155 V158 F162 V418 Y422	C155-V160 HydrophobicContact CB-CB 4.32Å; C155-V160 WeakPolarHBondContact CB-O 3.49Å; C155-V160 PolarHBondContact O-N 2.81Å; V158-V160 HydrophobicContact CB-CG2 4.48Å; V158-V160 HydrophobicContact CG2-CB 4.23Å; V158-V160 HydrophobicContact CG2-CG2 3.66Å; V158-V160 PolarHBondContact O-N 3.1Å; V158-V160 VanDerWaalsContact O-N 3.13Å; V160-F162 HydrophobicContact CG1-CB 4.43Å; V160-F162 HydrophobicContact CG1-CD2 3.31Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CG 4.03Å; V160-F162 PolarHBondContact O-N 2.63Å; V160-V418 HydrophobicContact CG1-CG2 4.41Å; V160-Y422 HydrophobicContact CG1-CD2 4.42Å; V160-Y422 HydrophobicContact CG1-CG 4.05Å; V160-Y422 HydrophobicContact CG2-CD1 4.47Å
161	P	98.4	Very high	98.6	Very high	45 Å²	45	12.7 Å²	12.7	29%	0.292	7%	0.067	S	C	.	.			trans	-83	57.5	-169.3	35.5	-38.3	0	0	0	112.5	Y422	P161-Y422 HydrophobicContact CG-CD2 4.44Å; P161-Y422 HydrophobicContact CG-CE2 3.69Å
162	F	98.8	Very high	98.5	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.079	C	C	.	.			trans	-126.9	143.4	176.8	-62.5	-41.8	0	0	0	112.1	P128 K130 C155 V160 Y422 W425	P128-F162 HydrophobicContact CG-CD1 3.66Å; P128-F162 HydrophobicContact CG-CE1 3.5Å; P128-F162 VanDerWaalsContact CG-CE1 3.5Å; P128-F162 WeakPolarHBondContact O-CA 3.42Å; P128-F162 WeakPolarHBondContact O-CB 3.3Å; P128-F162 WeakPolarHBondContact O-CD1 3.37Å; K130-F162 HydrophobicContact CB-CB 3.58Å; K130-F162 HydrophobicContact CB-CD2 3.56Å; K130-F162 HydrophobicContact CB-CE2 4.37Å; K130-F162 HydrophobicContact CB-CG 3.7Å; K130-F162 HydrophobicContact CD-CD2 3.78Å; K130-F162 HydrophobicContact CD-CE2 3.72Å; K130-F162 HydrophobicContact CD-CG 4.46Å; K130-F162 HydrophobicContact CD-CZ 4.35Å; K130-F162 HydrophobicContact CG-CD2 3.6Å; K130-F162 HydrophobicContact CG-CE2 4.04Å; K130-F162 HydrophobicContact CG-CG 4.26Å; C155-F162 WeakPolarHBondContact CB-O 3.3Å; V160-F162 HydrophobicContact CG1-CB 4.43Å; V160-F162 HydrophobicContact CG1-CD2 3.31Å; V160-F162 HydrophobicContact CG1-CE2 3.78Å; V160-F162 HydrophobicContact CG1-CG 4.03Å; V160-F162 PolarHBondContact O-N 2.63Å; F162-Y422 HydrophobicContact CE1-CD2 4.34Å; F162-Y422 AromaticContact CE2-CD2 3.81Å; F162-Y422 HydrophobicContact CE2-CD2 3.81Å; F162-Y422 HydrophobicContact CE2-CG 4.25Å; F162-Y422 AromaticContact CZ-CD2 3.59Å; F162-Y422 HydrophobicContact CZ-CD2 3.59Å; F162-Y422 HydrophobicContact CZ-CE2 4.41Å; F162-Y422 HydrophobicContact CZ-CG 4.45Å; F162-W425 HydrophobicContact CE1-CD2 4.07Å; F162-W425 AromaticContact CE1-CE3 3.98Å; F162-W425 HydrophobicContact CE1-CE3 3.98Å; F162-W425 HydrophobicContact CE1-CH2 4.34Å; F162-W425 HydrophobicContact CE1-CZ2 4.43Å; F162-W425 HydrophobicContact CE1-CZ3 4.12Å; F162-W425 HydrophobicContact CZ-CB 4.3Å; F162-W425 AromaticContact CZ-CD2 3.89Å; F162-W425 HydrophobicContact CZ-CD2 3.89Å; F162-W425 AromaticContact CZ-CE3 3.85Å; F162-W425 HydrophobicContact CZ-CE3 3.85Å; F162-W425 HydrophobicContact CZ-CG 4.11Å; F162-W425 HydrophobicContact CZ-CZ3 4.42Å
163	G	98.6	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	154.3	159.8	0	0	0	0	0	110.9	S123 R126 P128 C129 K130	S123-G163 WeakPolarHBondContact O-CA 3.32Å; R126-G163 WeakPolarHBondContact O-CA 3.44Å; R126-G163 PolarHBondContact O-N 2.84Å; P128-G163 PolarHBondContact O-N 2.86Å; P128-G163 VanDerWaalsContact O-N 3.16Å; C129-G163 CarbonylContact C-O 3.58Å; C129-G163 VanDerWaalsContact CA-O 3.29Å; C129-G163 WeakPolarHBondContact CA-O 3.46Å; K130-G163 PolarHBondContact N-O 3.25Å
164	G	98.7	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139	177.8	0	0	0	0	0	112.6	H122 A148 T152	H122-G164 WeakPolarHBondContact CB-O 3.26Å; H122-G164 PolarHBondContact N-O 2.97Å; A148-G164 CarbonylContact O-C 3.57Å; A148-G164 WeakPolarHBondContact O-CA 3.48Å; T152-G164 WeakPolarHBondContact OG1-CA 3.38Å; T152-G164 PolarHBondContact OG1-N 2.7Å
165	A	98.8	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.6	168.4	0	0	0	0	0	110.7	A120 Q121 C129 K130 G131 M151	A120-A165 CarbonylContact O-C 3.52Å; A120-A165 WeakPolarHBondContact O-CA 3.34Å; A120-A165 VanDerWaalsContact O-CB 3.25Å; A120-A165 WeakPolarHBondContact O-CB 3.21Å; Q121-A165 HydrophobicContact CG-CB 4.28Å; C129-A165 HydrophobicContact CB-CB 3.9Å; K130-A165 PolarHBondContact O-N 3.42Å; G131-A165 WeakPolarHBondContact CA-O 3.47Å; M151-A165 WeakPolarHBondContact CG-O 3.15Å
166	K	98.8	Very high	98.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.1	165.6	-174.2	67.6	72	101.2	0	108.9	R119 A120 G132 V144 L147 A148 D208	R119-K166 CarbonylContact C-O 3.56Å; R119-K166 VanDerWaalsContact CA-O 3.3Å; R119-K166 WeakPolarHBondContact CA-O 3.31Å; R119-K166 WeakPolarHBondContact CG-O 3.28Å; A120-K166 PolarHBondContact N-O 3.32Å; A120-K166 PolarHBondContact O-N 2.98Å; G132-K166 WeakPolarHBondContact O-CD 3.07Å; V144-K166 HydrophobicContact CG1-CB 4.21Å; V144-K166 HydrophobicContact CG1-CG 4.47Å; V144-K166 WeakPolarHBondContact CG1-O 3.49Å; L147-K166 HydrophobicContact CB-CB 3.91Å; L147-K166 HydrophobicContact CB-CD 4.14Å; L147-K166 HydrophobicContact CB-CG 3.58Å; L147-K166 HydrophobicContact CD1-CD 4.45Å; L147-K166 HydrophobicContact CD1-CG 4.11Å; A148-K166 HydrophobicContact CB-CB 4.04Å; K166-D208 WeakPolarHBondContact CE-OD2 3.06Å; K166-D208 IonicContact NZ-OD2 3.32Å; K166-D208 PolarHBondContact NZ-OD2 3.01Å
167	A	98.8	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.8	166.2	0	0	0	0	0	111.9	Y118 R119 G132 I133 R134 F188	Y118-A167 CarbonylContact O-C 3.56Å; Y118-A167 WeakPolarHBondContact O-CA 3.45Å; Y118-A167 WeakPolarHBondContact O-CB 3.31Å; R119-A167 HydrophobicContact CB-CB 3.95Å; R119-A167 HydrophobicContact CG-CB 3.89Å; G132-A167 PolarHBondContact O-N 2.84Å; I133-A167 WeakPolarHBondContact CA-O 3.47Å; I133-A167 HydrophobicContact CB-CB 4.43Å; I133-A167 HydrophobicContact CG1-CB 4.1Å; I133-A167 HydrophobicContact CG2-CB 4.24Å; R134-A167 PolarHBondContact N-O 2.62Å; A167-F188 HydrophobicContact CB-CE1 4.1Å; A167-F188 HydrophobicContact CB-CZ 4.09Å
168	G	98.6	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.8	171.1	0	0	0	0	0	110.7	G117 Y118 R134	G117-G168 CarbonylContact C-O 3.6Å; G117-G168 WeakPolarHBondContact CA-O 3.43Å; Y118-G168 PolarHBondContact N-O 3.27Å; Y118-G168 PolarHBondContact O-N 2.93Å; R134-G168 CarbonylContact O-C 3.21Å; R134-G168 VanDerWaalsContact O-CA 3.23Å; R134-G168 WeakPolarHBondContact O-CA 3.43Å
169	V	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127	169.2	-177.3	0	0	0	0	107.5	I115 R134 Y135 S136 I171 I184 F188	I115-V169 HydrophobicContact CG2-CG1 3.44Å; I115-V169 VanDerWaalsContact CG2-CG1 3.44Å; R134-V169 PolarHBondContact O-N 2.61Å; Y135-V169 HydrophobicContact CD1-CB 3.57Å; Y135-V169 HydrophobicContact CD1-CG2 3.9Å; Y135-V169 HydrophobicContact CE1-CB 3.55Å; Y135-V169 HydrophobicContact CE1-CG1 4.37Å; Y135-V169 HydrophobicContact CE1-CG2 3.4Å; Y135-V169 VanDerWaalsContact CE1-CG2 3.4Å; S136-V169 PolarHBondContact N-O 3.04Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 HydrophobicContact CG1-CD1 4.23Å; V169-I171 HydrophobicContact CG1-CG1 4.11Å; V169-I171 HydrophobicContact CG1-CG2 4.22Å; V169-I171 PolarHBondContact O-N 2.79Å; V169-I184 HydrophobicContact CG1-CG2 4.06Å; V169-F188 HydrophobicContact CG2-CD1 3.76Å; V169-F188 HydrophobicContact CG2-CD2 4.28Å; V169-F188 HydrophobicContact CG2-CE1 3.73Å; V169-F188 HydrophobicContact CG2-CE2 4.26Å; V169-F188 HydrophobicContact CG2-CG 4.03Å; V169-F188 HydrophobicContact CG2-CZ 3.99Å
170	K	98.4	Very high	98	Very high	92 Å²	92	36.4 Å²	36.4	40%	0.4	19%	0.19	S	C	.	.			trans	-85.9	70.9	-166.6	-163.7	-179.1	179.4	-178.8	0	112	E116 S136 V139	E116-K170 HydrophobicContact CB-CB 4.19Å; E116-K170 PolarHBondContact O-N 3.49Å; E116-K170 WeakPolarHBondContact OE2-CD 3.35Å; E116-K170 IonicContact OE2-NZ 2.93Å; S136-K170 VanDerWaalsContact O-CA 3.31Å; S136-K170 WeakPolarHBondContact O-CA 3.12Å; V139-K170 HydrophobicContact CB-CB 4.29Å; V139-K170 HydrophobicContact CB-CG 4.41Å; V139-K170 HydrophobicContact CG1-CB 4.48Å
171	I	98.2	Very high	98.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	19%	0.189	C	C	.	.			trans	-139.3	153.4	-177.1	60.7	171.7	0	0	0	111.6	I115 Y135 S136 T137 V169 Y176 L181 I184	I115-I171 HydrophobicContact CD1-CG2 3.86Å; I115-I171 HydrophobicContact CG2-CG2 4Å; Y135-I171 CarbonylContact C-O 3.59Å; Y135-I171 HydrophobicContact CD2-CD1 3.85Å; Y135-I171 HydrophobicContact CD2-CG1 4.39Å; Y135-I171 HydrophobicContact CE2-CD1 4.17Å; Y135-I171 HydrophobicContact CG-CD1 4.14Å; Y135-I171 HydrophobicContact CG-CG1 4.2Å; S136-I171 CarbonylContact C-O 3.47Å; S136-I171 WeakPolarHBondContact CA-O 3.47Å; S136-I171 PolarHBondContact N-O 2.74Å; S136-I171 VanDerWaalsContact N-O 3.16Å; S136-I171 PolarHBondContact O-N 3.3Å; T137-I171 PolarHBondContact N-O 3.08Å; V169-I171 VanDerWaalsContact C-N 3.32Å; V169-I171 HydrophobicContact CG1-CD1 4.23Å; V169-I171 HydrophobicContact CG1-CG1 4.11Å; V169-I171 HydrophobicContact CG1-CG2 4.22Å; V169-I171 PolarHBondContact O-N 2.79Å; I171-Y176 HydrophobicContact CB-CD2 4.47Å; I171-Y176 HydrophobicContact CB-CE2 3.72Å; I171-Y176 HydrophobicContact CD1-CE2 4.47Å; I171-Y176 HydrophobicContact CG2-CE2 4.01Å; I171-L181 HydrophobicContact CD1-CD2 3.94Å; I171-I184 HydrophobicContact CD1-CD1 4.02Å; I171-I184 HydrophobicContact CD1-CG2 4.28Å
172	N	97.1	Very high	98.1	Very high	61 Å²	61	37.1 Å²	37.1	33%	0.326	19%	0.189	S	C	.	.			trans	-96.1	111.5	162.9	180	-4.6	0	0	0	108.9	T137 K174 N175 Y176	T137-N172 HydrophobicContact CG2-CB 3.91Å; N172-K174 PolarHBondContact O-N 2.79Å; N172-K174 VanDerWaalsContact O-N 3.11Å; N172-K174 WeakPolarHBondContact OD1-CB 3.46Å; N172-K174 PolarHBondContact OD1-N 2.6Å; N172-K174 VanDerWaalsContact OD1-N 3.13Å; N172-N175 WeakPolarHBondContact O-CB 3.17Å; N172-N175 PolarHBondContact O-N 3.44Å; N172-Y176 WeakPolarHBondContact O-CD2 3.39Å; N172-Y176 WeakPolarHBondContact O-CE2 3.37Å
173	T	96.4	Very high	98.1	Very high	31 Å²	31	41 Å²	41	19%	0.19	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24.3	-175.2	56.3	0	0	0	0	114	Y135 N175 Y176 L181	Y135-T173 HydrophobicContact CD2-CG2 3.65Å; Y135-T173 HydrophobicContact CG-CG2 4.1Å; T173-N175 PolarHBondContact O-N 2.88Å; T173-Y176 PolarHBondContact O-N 2.98Å; T173-L181 HydrophobicContact CG2-CD2 4.14Å
174	K	94.1	Very high	98.1	Very high	166 Å²	166	41 Å²	41	72%	0.722	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-67.3	-16.7	177.3	-61.4	-176.6	178.8	-177	0	113.4	N172	N172-K174 PolarHBondContact O-N 2.79Å; N172-K174 VanDerWaalsContact O-N 3.11Å; N172-K174 WeakPolarHBondContact OD1-CB 3.46Å; N172-K174 PolarHBondContact OD1-N 2.6Å; N172-K174 VanDerWaalsContact OD1-N 3.13Å
175	N	97.3	Very high	98.1	Very high	103 Å²	103	41 Å²	41	55%	0.551	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-96.3	5.1	-177.6	-62.6	-7.8	0	0	0	113.3	R107 N172 T173	R107-N175 PolarHBondContact NH2-O 3.05Å; N172-N175 WeakPolarHBondContact O-CB 3.17Å; N172-N175 PolarHBondContact O-N 3.44Å; T173-N175 PolarHBondContact O-N 2.88Å
176	Y	97.9	Very high	98.1	Very high	31 Å²	31	44 Å²	44	12%	0.122	22%	0.218	C	C	.	.	S	Bend	trans	-127.2	147.6	-178	-61.2	-91	0	0	0	110.5	I105 E113 I115 I171 N172 T173 E180 L181 I184	I105-Y176 HydrophobicContact CD1-CE1 4.39Å; E113-Y176 PolarHBondContact OE1-OH 3.47Å; I115-Y176 HydrophobicContact CD1-CE1 4.46Å; I171-Y176 HydrophobicContact CB-CD2 4.47Å; I171-Y176 HydrophobicContact CB-CE2 3.72Å; I171-Y176 HydrophobicContact CD1-CE2 4.47Å; I171-Y176 HydrophobicContact CG2-CE2 4.01Å; N172-Y176 WeakPolarHBondContact O-CD2 3.39Å; N172-Y176 WeakPolarHBondContact O-CE2 3.37Å; T173-Y176 PolarHBondContact O-N 2.98Å; Y176-E180 VanDerWaalsContact CA-OE2 3.28Å; Y176-E180 WeakPolarHBondContact CA-OE2 3.41Å; Y176-E180 HydrophobicContact CD1-CB 4.12Å; Y176-L181 HydrophobicContact CG-CD2 4.43Å; Y176-I184 HydrophobicContact CD1-CD1 3.88Å; Y176-I184 HydrophobicContact CE1-CD1 4.02Å; Y176-I184 HydrophobicContact CG-CD1 4.31Å
177	T	98.1	Very high	98.1	Very high	60 Å²	60	48.2 Å²	48.2	37%	0.368	23%	0.234	S	C	.	.			trans	-73.7	164	169.9	74.7	0	0	0	0	110.6	D108 S179 E180 L181	D108-T177 WeakPolarHBondContact OD2-CG2 3.37Å; D108-T177 PolarHBondContact OD2-OG1 3.03Å; T177-S179 PolarHBondContact O-N 3.36Å; T177-S179 PolarHBondContact OG1-N 3.39Å; T177-E180 PolarHBondContact N-OE2 2.91Å; T177-E180 PolarHBondContact O-N 3.31Å; T177-E180 VanDerWaalsContact O-N 3.16Å; T177-E180 WeakPolarHBondContact OG1-CG 3.49Å; T177-E180 PolarHBondContact OG1-N 3.01Å; T177-E180 VanDerWaalsContact OG1-N 3.12Å; T177-L181 WeakPolarHBondContact O-CG 3.35Å; T177-L181 PolarHBondContact O-N 3.5Å
178	D	98	Very high	98.1	Very high	99 Å²	99	48.3 Å²	48.3	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-33.5	174.3	-74.3	-7.4	0	0	0	112.6	L181 E182 R214	D178-L181 PolarHBondContact O-N 3.37Å; D178-E182 WeakPolarHBondContact O-CB 3.37Å; D178-E182 PolarHBondContact O-N 3.45Å; D178-R214 IonicContact OD1-CZ 3.98Å; D178-R214 IonicContact OD1-NH1 3.67Å; D178-R214 PolarHBondContact OD1-NH1 2.85Å; D178-R214 IonicContact OD1-NH2 3.43Å; D178-R214 IonicContact OD2-NH1 3.76Å; D178-R214 PolarHBondContact OD2-NH1 2.86Å
179	S	98.1	Very high	98.1	Very high	55 Å²	55	48.4 Å²	48.4	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-41	175.8	-170.5	0	0	0	0	111.8	T177 E182 K183	T177-S179 PolarHBondContact O-N 3.36Å; T177-S179 PolarHBondContact OG1-N 3.39Å; S179-E182 PolarHBondContact O-N 3.49Å; S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.23Å; S179-K183 PolarHBondContact O-N 3.21Å
180	E	98.6	Very high	98.1	Very high	6 Å²	6	50 Å²	50	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-44.4	174.9	-70.8	175.6	148	0	0	111.2	R107 D108 Y176 T177 E182 K183 I184	R107-E180 VanDerWaalsContact CA-OE1 3.27Å; R107-E180 WeakPolarHBondContact CA-OE1 3.45Å; R107-E180 VanDerWaalsContact CB-OE1 3.26Å; R107-E180 WeakPolarHBondContact CB-OE1 3.35Å; R107-E180 IonicContact CZ-OE1 3.98Å; R107-E180 IonicContact NE-OE1 3.22Å; R107-E180 PolarHBondContact NE-OE1 3.32Å; R107-E180 IonicContact NH2-OE1 3.67Å; R107-E180 IonicContact NH2-OE2 3.36Å; R107-E180 PolarHBondContact NH2-OE2 3.38Å; D108-E180 HydrophobicContact CB-CG 4.4Å; D108-E180 PolarHBondContact N-OE1 3.21Å; Y176-E180 VanDerWaalsContact CA-OE2 3.28Å; Y176-E180 WeakPolarHBondContact CA-OE2 3.41Å; Y176-E180 HydrophobicContact CD1-CB 4.12Å; T177-E180 PolarHBondContact N-OE2 2.91Å; T177-E180 PolarHBondContact O-N 3.31Å; T177-E180 VanDerWaalsContact O-N 3.16Å; T177-E180 WeakPolarHBondContact OG1-CG 3.49Å; T177-E180 PolarHBondContact OG1-N 3.01Å; T177-E180 VanDerWaalsContact OG1-N 3.12Å; E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3.3Å; E180-K183 PolarHBondContact O-N 3.21Å; E180-I184 VanDerWaalsContact O-CG1 3.24Å; E180-I184 WeakPolarHBondContact O-CG1 3.39Å; E180-I184 PolarHBondContact O-N 2.97Å
181	L	98.8	Very high	98.1	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-42.9	175.9	-69.8	175	0	0	0	111.7	Y135 I171 T173 Y176 T177 D178 I184 T185 W218	Y135-L181 HydrophobicContact CD2-CD2 4.45Å; Y135-L181 HydrophobicContact CE2-CD2 4.43Å; I171-L181 HydrophobicContact CD1-CD2 3.94Å; T173-L181 HydrophobicContact CG2-CD2 4.14Å; Y176-L181 HydrophobicContact CG-CD2 4.43Å; T177-L181 WeakPolarHBondContact O-CG 3.35Å; T177-L181 PolarHBondContact O-N 3.5Å; D178-L181 PolarHBondContact O-N 3.37Å; L181-I184 PolarHBondContact O-N 3.24Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 2.84Å; L181-T185 PolarHBondContact O-OG1 3.11Å; L181-W218 HydrophobicContact CB-CH2 4.26Å; L181-W218 HydrophobicContact CB-CZ3 4.08Å
182	E	98.8	Very high	98.1	Very high	64 Å²	64	47 Å²	47	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-50.3	174.5	-177.1	168.9	177.9	0	0	111.4	D178 S179 E180 I184 T185 R186 W218	D178-E182 WeakPolarHBondContact O-CB 3.37Å; D178-E182 PolarHBondContact O-N 3.45Å; S179-E182 PolarHBondContact O-N 3.49Å; E180-E182 VanDerWaalsContact C-N 3.34Å; E180-E182 PolarHBondContact O-N 3.3Å; E182-I184 VanDerWaalsContact C-N 3.29Å; E182-I184 PolarHBondContact O-N 3.16Å; E182-T185 PolarHBondContact O-N 3.24Å; E182-R186 HydrophobicContact CG-CG 4.12Å; E182-R186 WeakPolarHBondContact O-CB 3.39Å; E182-R186 WeakPolarHBondContact O-CG 3.38Å; E182-R186 PolarHBondContact O-N 3.23Å; E182-R186 IonicContact OE1-CZ 3.26Å; E182-R186 VanDerWaalsContact OE1-CZ 3.26Å; E182-R186 IonicContact OE1-NE 2.74Å; E182-R186 PolarHBondContact OE1-NE 3.16Å; E182-R186 IonicContact OE1-NH2 2.94Å; E182-R186 PolarHBondContact OE1-NH2 3.47Å; E182-W218 HydrophobicContact CB-CD2 3.97Å; E182-W218 HydrophobicContact CB-CE3 4.15Å; E182-W218 HydrophobicContact CB-CH2 3.81Å; E182-W218 HydrophobicContact CB-CZ2 3.62Å; E182-W218 HydrophobicContact CB-CZ3 4.08Å; E182-W218 HydrophobicContact CG-CD2 3.83Å; E182-W218 HydrophobicContact CG-CE3 4.42Å; E182-W218 HydrophobicContact CG-CG 3.99Å; E182-W218 HydrophobicContact CG-CZ2 4.09Å
183	K	98.6	Very high	98.2	Very high	83 Å²	83	44.6 Å²	44.6	36%	0.361	22%	0.219	S	C	.	.	H	α-helix	trans	-56.7	-43.9	177.7	-68.7	164.9	-167.4	165	0	111.3	D108 S179 E180 R187	D108-K183 IonicContact OD1-NZ 2.77Å; D108-K183 PolarHBondContact OD1-NZ 3.15Å; S179-K183 VanDerWaalsContact O-CG 3.3Å; S179-K183 WeakPolarHBondContact O-CG 3.23Å; S179-K183 PolarHBondContact O-N 3.21Å; E180-K183 PolarHBondContact O-N 3.21Å; K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 3.23Å
184	I	98.8	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-52.9	177.7	-68.2	165.8	0	0	0	110.4	F103 I105 I115 V169 I171 Y176 E180 L181 E182 R186 R187 F188	F103-I184 HydrophobicContact CE2-CG2 4.32Å; F103-I184 HydrophobicContact CZ-CG2 4.18Å; I105-I184 HydrophobicContact CD1-CD1 3.81Å; I105-I184 HydrophobicContact CD1-CG1 3.69Å; I105-I184 HydrophobicContact CG2-CG1 4.03Å; I115-I184 HydrophobicContact CD1-CD1 4.49Å; I115-I184 HydrophobicContact CG1-CG1 4.35Å; I115-I184 HydrophobicContact CG2-CG2 4.36Å; V169-I184 HydrophobicContact CG1-CG2 4.06Å; I171-I184 HydrophobicContact CD1-CD1 4.02Å; I171-I184 HydrophobicContact CD1-CG2 4.28Å; Y176-I184 HydrophobicContact CD1-CD1 3.88Å; Y176-I184 HydrophobicContact CE1-CD1 4.02Å; Y176-I184 HydrophobicContact CG-CD1 4.31Å; E180-I184 VanDerWaalsContact O-CG1 3.24Å; E180-I184 WeakPolarHBondContact O-CG1 3.39Å; E180-I184 PolarHBondContact O-N 2.97Å; L181-I184 PolarHBondContact O-N 3.24Å; E182-I184 VanDerWaalsContact C-N 3.29Å; E182-I184 PolarHBondContact O-N 3.16Å; I184-R186 PolarHBondContact O-N 3.43Å; I184-R187 PolarHBondContact O-N 3.42Å; I184-F188 VanDerWaalsContact O-CB 3.27Å; I184-F188 WeakPolarHBondContact O-CB 3.49Å; I184-F188 PolarHBondContact O-N 2.89Å
185	T	98.9	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-46.6	-177.4	-58.2	0	0	0	0	111.7	Y135 L181 E182 F188 T189 E215 W218 I219	Y135-T185 WeakPolarHBondContact OH-CA 3.47Å; Y135-T185 WeakPolarHBondContact OH-CB 3.2Å; Y135-T185 PolarHBondContact OH-OG1 3.09Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 2.84Å; L181-T185 PolarHBondContact O-OG1 3.11Å; E182-T185 PolarHBondContact O-N 3.24Å; T185-F188 PolarHBondContact O-N 3.31Å; T185-T189 WeakPolarHBondContact O-CB 3.38Å; T185-T189 PolarHBondContact O-N 2.7Å; T185-T189 PolarHBondContact O-OG1 3.48Å; T185-E215 HydrophobicContact CG2-CB 4.16Å; T185-W218 HydrophobicContact CG2-CB 4.04Å; T185-W218 HydrophobicContact CG2-CE3 4.18Å; T185-I219 HydrophobicContact CG2-CD1 4.11Å; T185-I219 HydrophobicContact CG2-CG1 3.57Å
186	R	98.8	Very high	98.5	Very high	62 Å²	62	44 Å²	44	23%	0.234	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-45.1	179.3	-64.7	-172.1	173.2	-89.8	8.4	111.3	E182 I184 F188 T189 I190 W218 D221 T222	E182-R186 HydrophobicContact CG-CG 4.12Å; E182-R186 WeakPolarHBondContact O-CB 3.39Å; E182-R186 WeakPolarHBondContact O-CG 3.38Å; E182-R186 PolarHBondContact O-N 3.23Å; E182-R186 IonicContact OE1-CZ 3.26Å; E182-R186 VanDerWaalsContact OE1-CZ 3.26Å; E182-R186 IonicContact OE1-NE 2.74Å; E182-R186 PolarHBondContact OE1-NE 3.16Å; E182-R186 IonicContact OE1-NH2 2.94Å; E182-R186 PolarHBondContact OE1-NH2 3.47Å; I184-R186 PolarHBondContact O-N 3.43Å; R186-F188 PolarHBondContact O-N 3.41Å; R186-T189 WeakPolarHBondContact O-CB 3.36Å; R186-T189 PolarHBondContact O-N 3.33Å; R186-I190 PolarHBondContact O-N 2.59Å; R186-I190 VanDerWaalsContact O-N 3.13Å; R186-W218 HydrophobicContact CG-CB 4.16Å; R186-D221 IonicContact CZ-OD2 3.28Å; R186-D221 VanDerWaalsContact CZ-OD2 3.28Å; R186-D221 IonicContact NH1-OD2 2.7Å; R186-D221 PolarHBondContact NH1-OD2 3.15Å; R186-D221 IonicContact NH2-OD2 2.96Å; R186-D221 PolarHBondContact NH2-OD2 2.95Å; R186-T222 HydrophobicContact CB-CG2 4.35Å; R186-T222 VanDerWaalsContact CG-OG1 3.23Å; R186-T222 WeakPolarHBondContact CG-OG1 3.35Å; R186-T222 PolarHBondContact NH1-OG1 3.44Å
187	R	98.7	Very high	98.6	Very high	91 Å²	91	43.5 Å²	43.5	34%	0.343	22%	0.215	S	C	.	.	H	α-helix	trans	-63.2	-45	178.2	-178.7	57	-175.7	-87.1	2	111.5	F103 K183 I184 T189 I190 E191	F103-R187 HydrophobicContact CB-CG 4.11Å; F103-R187 HydrophobicContact CD2-CB 3.99Å; F103-R187 HydrophobicContact CD2-CG 3.35Å; F103-R187 HydrophobicContact CE2-CB 4.05Å; F103-R187 HydrophobicContact CE2-CG 3.92Å; F103-R187 HydrophobicContact CG-CG 3.85Å; K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 3.23Å; I184-R187 PolarHBondContact O-N 3.42Å; R187-T189 VanDerWaalsContact C-N 3.3Å; R187-T189 PolarHBondContact O-N 3.23Å; R187-I190 PolarHBondContact O-N 3.33Å; R187-E191 IonicContact CZ-OE1 3.3Å; R187-E191 VanDerWaalsContact CZ-OE1 3.3Å; R187-E191 IonicContact NE-OE1 2.77Å; R187-E191 PolarHBondContact NE-OE1 2.94Å; R187-E191 IonicContact NH2-OE1 2.92Å; R187-E191 PolarHBondContact NH2-OE1 3.43Å; R187-E191 PolarHBondContact O-N 2.98Å; R187-E191 VanDerWaalsContact O-N 3.09Å
188	F	98.9	Very high	98.6	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-43.1	175.9	-174.9	-125	0	0	0	111.5	V101 F103 I133 A167 V169 I184 T185 R186 I190 E191 L192	V101-F188 HydrophobicContact CG2-CD2 3.88Å; V101-F188 HydrophobicContact CG2-CE2 3.66Å; F103-F188 HydrophobicContact CE1-CB 4.05Å; F103-F188 AromaticContact CE1-CD2 3.71Å; F103-F188 HydrophobicContact CE1-CD2 3.71Å; F103-F188 HydrophobicContact CE1-CG 4.31Å; F103-F188 HydrophobicContact CZ-CB 3.83Å; F103-F188 HydrophobicContact CZ-CD2 4.27Å; F103-F188 HydrophobicContact CZ-CG 4.45Å; I133-F188 HydrophobicContact CD1-CE1 4.38Å; I133-F188 HydrophobicContact CG2-CE1 4.14Å; A167-F188 HydrophobicContact CB-CE1 4.1Å; A167-F188 HydrophobicContact CB-CZ 4.09Å; V169-F188 HydrophobicContact CG2-CD1 3.76Å; V169-F188 HydrophobicContact CG2-CD2 4.28Å; V169-F188 HydrophobicContact CG2-CE1 3.73Å; V169-F188 HydrophobicContact CG2-CE2 4.26Å; V169-F188 HydrophobicContact CG2-CG 4.03Å; V169-F188 HydrophobicContact CG2-CZ 3.99Å; I184-F188 VanDerWaalsContact O-CB 3.27Å; I184-F188 WeakPolarHBondContact O-CB 3.49Å; I184-F188 PolarHBondContact O-N 2.89Å; T185-F188 PolarHBondContact O-N 3.31Å; R186-F188 PolarHBondContact O-N 3.41Å; F188-I190 VanDerWaalsContact C-N 3.31Å; F188-I190 PolarHBondContact O-N 2.89Å; F188-E191 PolarHBondContact O-N 2.99Å; F188-L192 HydrophobicContact CD1-CD1 4.01Å; F188-L192 HydrophobicContact CD1-CG 4.45Å; F188-L192 HydrophobicContact CD2-CG 4.39Å; F188-L192 HydrophobicContact CE1-CD1 3.63Å; F188-L192 HydrophobicContact CE1-CG 4.22Å; F188-L192 HydrophobicContact CE2-CD1 4.43Å; F188-L192 HydrophobicContact CE2-CD2 3.94Å; F188-L192 HydrophobicContact CE2-CG 4.15Å; F188-L192 HydrophobicContact CZ-CD1 3.87Å; F188-L192 HydrophobicContact CZ-CD2 3.91Å; F188-L192 HydrophobicContact CZ-CG 4.07Å; F188-L192 WeakPolarHBondContact O-CG 3.43Å; F188-L192 PolarHBondContact O-N 2.82Å
189	T	98.9	Very high	98.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-44.6	176	-57.7	0	0	0	0	112.1	T185 R186 R187 L192 A193 I198 I219 T222 F223	T185-T189 WeakPolarHBondContact O-CB 3.38Å; T185-T189 PolarHBondContact O-N 2.7Å; T185-T189 PolarHBondContact O-OG1 3.48Å; R186-T189 WeakPolarHBondContact O-CB 3.36Å; R186-T189 PolarHBondContact O-N 3.33Å; R187-T189 VanDerWaalsContact C-N 3.3Å; R187-T189 PolarHBondContact O-N 3.23Å; T189-L192 PolarHBondContact O-N 2.83Å; T189-A193 VanDerWaalsContact O-CB 3.32Å; T189-A193 WeakPolarHBondContact O-CB 3.43Å; T189-A193 PolarHBondContact O-N 3.47Å; T189-I198 HydrophobicContact CG2-CD1 4.12Å; T189-I219 HydrophobicContact CG2-CG2 4.01Å; T189-I219 WeakPolarHBondContact OG1-CG1 3.48Å; T189-T222 HydrophobicContact CG2-CG2 4.16Å; T189-F223 HydrophobicContact CG2-CB 4.41Å
190	I	98.6	Very high	98.6	Very high	33 Å²	33	34 Å²	34	17%	0.169	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-43.3	177.7	-66.8	-63.8	0	0	0	111.8	R186 R187 F188 L192 A193 K194 T222 T226	R186-I190 PolarHBondContact O-N 2.59Å; R186-I190 VanDerWaalsContact O-N 3.13Å; R187-I190 PolarHBondContact O-N 3.33Å; F188-I190 VanDerWaalsContact C-N 3.31Å; F188-I190 PolarHBondContact O-N 2.89Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.39Å; I190-A193 PolarHBondContact O-N 3.03Å; I190-K194 HydrophobicContact CG2-CD 3.99Å; I190-K194 VanDerWaalsContact CG2-CE 3.43Å; I190-K194 HydrophobicContact CG2-CG 4.38Å; I190-K194 WeakPolarHBondContact O-CB 3.35Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.35Å; I190-K194 PolarHBondContact O-N 3.32Å; I190-T222 HydrophobicContact CD1-CG2 3.63Å; I190-T222 HydrophobicContact CG1-CG2 3.74Å; I190-T226 HydrophobicContact CD1-CG2 4.04Å; I190-T226 VanDerWaalsContact CD1-OG1 3.3Å; I190-T226 WeakPolarHBondContact CD1-OG1 3.4Å
191	E	98.7	Very high	98.6	Very high	31 Å²	31	36.2 Å²	36.2	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-39.5	178.4	-61.9	-54.6	156	0	0	111.7	V101 F103 R187 F188 K195	V101-E191 HydrophobicContact CG1-CB 4.19Å; F103-E191 HydrophobicContact CB-CG 4.36Å; F103-E191 HydrophobicContact CD1-CG 4.42Å; R187-E191 IonicContact CZ-OE1 3.3Å; R187-E191 VanDerWaalsContact CZ-OE1 3.3Å; R187-E191 IonicContact NE-OE1 2.77Å; R187-E191 PolarHBondContact NE-OE1 2.94Å; R187-E191 IonicContact NH2-OE1 2.92Å; R187-E191 PolarHBondContact NH2-OE1 3.43Å; R187-E191 PolarHBondContact O-N 2.98Å; R187-E191 VanDerWaalsContact O-N 3.09Å; F188-E191 PolarHBondContact O-N 2.99Å; E191-K195 WeakPolarHBondContact O-CG 3.47Å
192	L	98.8	Very high	98.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-45.5	172.9	-64.4	-175.9	0	0	0	111.6	L99 R119 F188 T189 I190 K194 K195 G196 F197 I198	L99-L192 HydrophobicContact CD2-CD2 3.99Å; R119-L192 HydrophobicContact CB-CD2 3.79Å; F188-L192 HydrophobicContact CD1-CD1 4.01Å; F188-L192 HydrophobicContact CD1-CG 4.45Å; F188-L192 HydrophobicContact CD2-CG 4.39Å; F188-L192 HydrophobicContact CE1-CD1 3.63Å; F188-L192 HydrophobicContact CE1-CG 4.22Å; F188-L192 HydrophobicContact CE2-CD1 4.43Å; F188-L192 HydrophobicContact CE2-CD2 3.94Å; F188-L192 HydrophobicContact CE2-CG 4.15Å; F188-L192 HydrophobicContact CZ-CD1 3.87Å; F188-L192 HydrophobicContact CZ-CD2 3.91Å; F188-L192 HydrophobicContact CZ-CG 4.07Å; F188-L192 WeakPolarHBondContact O-CG 3.43Å; F188-L192 PolarHBondContact O-N 2.82Å; T189-L192 PolarHBondContact O-N 2.83Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.39Å; L192-K194 PolarHBondContact O-N 2.96Å; L192-K195 PolarHBondContact O-N 3.04Å; L192-K195 VanDerWaalsContact O-N 3.17Å; L192-G196 PolarHBondContact O-N 3.2Å; L192-F197 HydrophobicContact CB-CB 4.07Å; L192-F197 HydrophobicContact CD2-CB 3.92Å; L192-F197 PolarHBondContact O-N 2.92Å; L192-I198 HydrophobicContact CB-CB 4.3Å; L192-I198 HydrophobicContact CB-CG2 3.74Å
193	A	98.4	Very high	98.6	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-43.1	-174.6	0	0	0	0	0	111.6	T189 I190 K195 G196 I198 F223 M227	T189-A193 VanDerWaalsContact O-CB 3.32Å; T189-A193 WeakPolarHBondContact O-CB 3.43Å; T189-A193 PolarHBondContact O-N 3.47Å; I190-A193 PolarHBondContact O-N 3.03Å; A193-K195 PolarHBondContact O-N 3.25Å; A193-K195 VanDerWaalsContact O-N 3.11Å; A193-G196 PolarHBondContact O-N 3.31Å; A193-I198 VanDerWaalsContact CA-CG2 3.43Å; A193-I198 HydrophobicContact CB-CG2 3.62Å; A193-F223 HydrophobicContact CB-CD2 4.16Å; A193-F223 HydrophobicContact CB-CE2 4.23Å; A193-M227 HydrophobicContact CB-CB 4.33Å; A193-M227 HydrophobicContact CB-CG 3.85Å
194	K	98.3	Very high	98.6	Very high	122 Å²	122	33.1 Å²	33.1	53%	0.53	17%	0.171	S	C	.	.	H	α-helix	trans	-58.5	-24.2	176.3	-75.2	173.2	178.4	173.5	0	113.7	I190 L192	I190-K194 HydrophobicContact CG2-CD 3.99Å; I190-K194 VanDerWaalsContact CG2-CE 3.43Å; I190-K194 HydrophobicContact CG2-CG 4.38Å; I190-K194 WeakPolarHBondContact O-CB 3.35Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.35Å; I190-K194 PolarHBondContact O-N 3.32Å; L192-K194 PolarHBondContact O-N 2.96Å
195	K	98.4	Very high	98.6	Very high	138 Å²	138	33.1 Å²	33.1	60%	0.6	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	4.2	-176.6	-59.5	-58.2	-177.3	-177.2	0	113.6	L99 E191 L192 A193 F197	L99-K195 HydrophobicContact CD1-CG 4.36Å; L99-K195 HydrophobicContact CD2-CB 3.82Å; L99-K195 HydrophobicContact CD2-CG 4.12Å; E191-K195 WeakPolarHBondContact O-CG 3.47Å; L192-K195 PolarHBondContact O-N 3.04Å; L192-K195 VanDerWaalsContact O-N 3.17Å; A193-K195 PolarHBondContact O-N 3.25Å; A193-K195 VanDerWaalsContact O-N 3.11Å; K195-F197 HydrophobicContact CB-CD2 3.94Å; K195-F197 HydrophobicContact CB-CE2 4.47Å; K195-F197 VanDerWaalsContact O-CD2 3.3Å; K195-F197 WeakPolarHBondContact O-CD2 3.34Å
196	G	98.2	Very high	98.6	Very high	27 Å²	27	33.4 Å²	33.4	28%	0.278	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	29.5	-178.9	0	0	0	0	0	113.9	L192 A193 I202	L192-G196 PolarHBondContact O-N 3.2Å; A193-G196 PolarHBondContact O-N 3.31Å; G196-I202 WeakPolarHBondContact O-CG2 3.35Å
197	F	98.7	Very high	98.6	Very high	21 Å²	21	31.6 Å²	31.6	9%	0.092	17%	0.17	C	C	.	.	S	Bend	trans	-106	10.4	178.3	-82.1	-99.9	0	0	0	113.4	H97 L99 R119 Q121 L192 K195	H97-F197 HydrophobicContact CB-CE1 4.15Å; H97-F197 HydrophobicContact CB-CZ 3.81Å; L99-F197 HydrophobicContact CB-CD1 3.96Å; L99-F197 HydrophobicContact CB-CD2 4.01Å; L99-F197 HydrophobicContact CB-CE1 3.65Å; L99-F197 HydrophobicContact CB-CE2 3.73Å; L99-F197 HydrophobicContact CB-CG 4.12Å; L99-F197 HydrophobicContact CB-CZ 3.52Å; L99-F197 HydrophobicContact CD2-CB 4.17Å; L99-F197 HydrophobicContact CD2-CD1 4.45Å; L99-F197 HydrophobicContact CD2-CD2 3.63Å; L99-F197 HydrophobicContact CD2-CE2 4.09Å; L99-F197 HydrophobicContact CD2-CG 3.84Å; L99-F197 HydrophobicContact CG-CD2 4.4Å; L99-F197 HydrophobicContact CG-CE2 4.4Å; R119-F197 HydrophobicContact CB-CD1 3.99Å; R119-F197 VanDerWaalsContact CD-O 3.25Å; R119-F197 WeakPolarHBondContact CD-O 3.44Å; R119-F197 HydrophobicContact CG-CD1 3.96Å; R119-F197 PolarHBondContact NE-O 3.27Å; R119-F197 WeakPolarHBondContact O-CE1 3.35Å; Q121-F197 HydrophobicContact CG-CD1 4.01Å; Q121-F197 HydrophobicContact CG-CE1 4Å; L192-F197 HydrophobicContact CB-CB 4.07Å; L192-F197 HydrophobicContact CD2-CB 3.92Å; L192-F197 PolarHBondContact O-N 2.92Å; K195-F197 HydrophobicContact CB-CD2 3.94Å; K195-F197 HydrophobicContact CB-CE2 4.47Å; K195-F197 VanDerWaalsContact O-CD2 3.3Å; K195-F197 WeakPolarHBondContact O-CD2 3.34Å
198	I	98.7	Very high	98.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	16%	0.162	C	C	.	.	S	Bend	trans	-153.1	138.8	167	-179.4	173.4	0	0	0	109	T189 L192 A193 D203 P205 I219 F223 C237	T189-I198 HydrophobicContact CG2-CD1 4.12Å; L192-I198 HydrophobicContact CB-CB 4.3Å; L192-I198 HydrophobicContact CB-CG2 3.74Å; A193-I198 VanDerWaalsContact CA-CG2 3.43Å; A193-I198 HydrophobicContact CB-CG2 3.62Å; I198-D203 CarbonylContact C-O 3.51Å; I198-D203 VanDerWaalsContact CA-O 3.3Å; I198-D203 WeakPolarHBondContact CA-O 3.37Å; I198-P205 HydrophobicContact CD1-CG 3.88Å; I198-P205 HydrophobicContact CG1-CG 4.04Å; I198-I219 HydrophobicContact CD1-CG2 3.41Å; I198-I219 VanDerWaalsContact CD1-CG2 3.41Å; I198-F223 HydrophobicContact CD1-CD2 4.39Å; I198-F223 HydrophobicContact CG1-CD2 4.25Å; I198-F223 HydrophobicContact CG2-CD2 4.08Å; I198-F223 HydrophobicContact CG2-CE2 4.23Å; I198-F223 WeakPolarHBondContact O-CE2 3.12Å; I198-C237 HydrophobicContact CG1-CB 4.27Å
199	G	98.4	Very high	98.2	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	164.5	152	172.9	0	0	0	0	0	111.6	G201 I202 D203	G199-G201 VanDerWaalsContact C-N 3.25Å; G199-G201 PolarHBondContact O-N 2.87Å; G199-G201 VanDerWaalsContact O-N 3.12Å; G199-I202 PolarHBondContact O-N 3.2Å; G199-D203 PolarHBondContact N-O 3.04Å; G199-D203 CarbonylContact O-C 3.6Å; G199-D203 PolarHBondContact O-N 3.37Å; G199-D203 VanDerWaalsContact O-O 3.13Å
200	P	98.4	Very high	98.1	Very high	8 Å²	8	35 Å²	35	5%	0.052	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.9	-171.7	-28	36.3	0	0	0	114.9	F223 D231 N233 A236 C237 W425	P200-F223 HydrophobicContact CG-CE1 4.36Å; P200-D231 WeakPolarHBondContact CG-OD2 3.37Å; P200-N233 HydrophobicContact CB-CB 4.02Å; P200-N233 HydrophobicContact CG-CB 4.24Å; P200-N233 WeakPolarHBondContact CG-O 3.44Å; P200-A236 HydrophobicContact CB-CB 4.18Å; P200-C237 HydrophobicContact CG-CB 4.07Å; P200-W425 PolarHBondContact O-NE1 3.32Å; P200-W425 VanDerWaalsContact O-NE1 3.13Å
201	G	98.3	Very high	98	Very high	52 Å²	52	33.9 Å²	33.9	54%	0.536	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	4.6	178.6	0	0	0	0	0	115	G199	G199-G201 VanDerWaalsContact C-N 3.25Å; G199-G201 PolarHBondContact O-N 2.87Å; G199-G201 VanDerWaalsContact O-N 3.12Å
202	I	98.3	Very high	97.9	Very high	88 Å²	88	33.2 Å²	33.2	45%	0.451	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-61.8	-175.8	-56.3	171.9	0	0	0	110.2	P128 C129 G196 G199	P128-I202 CarbonylContact C-O 3.53Å; P128-I202 WeakPolarHBondContact CA-O 3.11Å; C129-I202 PolarHBondContact N-O 3.34Å; G196-I202 WeakPolarHBondContact O-CG2 3.35Å; G199-I202 PolarHBondContact O-N 3.2Å
203	D	98.8	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	124.7	-174.1	-167.7	-3.9	0	0	0	110.4	R119 Q121 C129 I198 G199	R119-D203 IonicContact CZ-OD1 2.94Å; R119-D203 IonicContact CZ-OD2 2.68Å; R119-D203 IonicContact NE-OD1 2.63Å; R119-D203 IonicContact NE-OD2 3.81Å; R119-D203 PolarHBondContact NE-OD2 2.7Å; R119-D203 IonicContact NH2-OD1 3.1Å; R119-D203 PolarHBondContact NH2-OD1 3.41Å; R119-D203 IonicContact NH2-OD2 3.83Å; R119-D203 PolarHBondContact NH2-OD2 3.01Å; Q121-D203 WeakPolarHBondContact CG-OD2 3.47Å; Q121-D203 PolarHBondContact NE2-OD2 3.4Å; C129-D203 HydrophobicContact CB-CB 3.95Å; C129-D203 WeakPolarHBondContact CB-OD1 3.2Å; C129-D203 CarbonylContact O-C 3.57Å; C129-D203 WeakPolarHBondContact O-CA 3.31Å; I198-D203 CarbonylContact C-O 3.51Å; I198-D203 VanDerWaalsContact CA-O 3.3Å; I198-D203 WeakPolarHBondContact CA-O 3.37Å; G199-D203 PolarHBondContact N-O 3.04Å; G199-D203 CarbonylContact O-C 3.6Å; G199-D203 PolarHBondContact O-N 3.37Å; G199-D203 VanDerWaalsContact O-O 3.13Å
204	V	98.9	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	104.9	-169.2	177.7	0	0	0	0	110.1	P128 C129 K130 G131 C237 T239	P128-V204 HydrophobicContact CB-CG2 3.96Å; P128-V204 HydrophobicContact CG-CG2 3.84Å; C129-V204 PolarHBondContact O-N 3.48Å; K130-V204 HydrophobicContact CD-CB 3.96Å; K130-V204 HydrophobicContact CD-CG1 4.05Å; K130-V204 VanDerWaalsContact CD-O 3.29Å; K130-V204 WeakPolarHBondContact CD-O 3.2Å; K130-V204 WeakPolarHBondContact CE-O 3.37Å; K130-V204 PolarHBondContact NZ-O 3.47Å; G131-V204 PolarHBondContact N-O 3.45Å; V204-C237 WeakPolarHBondContact CA-O 3.38Å; V204-T239 HydrophobicContact CG1-CG2 3.83Å
205	P	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	173.9	179.6	-19.2	32.5	0	0	0	114.7	K130 G131 I133 I198 C237 V238 T239	K130-P205 PolarHBondContact NZ-O 2.74Å; G131-P205 CarbonylContact O-C 3.5Å; G131-P205 WeakPolarHBondContact O-CA 3.45Å; I133-P205 HydrophobicContact CD1-CB 3.73Å; I133-P205 HydrophobicContact CD1-CG 4.3Å; I133-P205 HydrophobicContact CG1-CB 3.79Å; I198-P205 HydrophobicContact CD1-CG 3.88Å; I198-P205 HydrophobicContact CG1-CG 4.04Å; P205-C237 WeakPolarHBondContact CD-O 3.41Å; P205-V238 HydrophobicContact CB-CG2 4.05Å; P205-T239 PolarHBondContact O-N 3.42Å; P205-T239 PolarHBondContact O-OG1 2.85Å; P205-T239 VanDerWaalsContact O-OG1 3.07Å
206	A	98.6	Very high	98	Very high	6 Å²	6	28.3 Å²	28.3	5%	0.05	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	172.5	175	0	0	0	0	0	110.7	K130 G131 G132 I133	K130-A206 VanDerWaalsContact NZ-CB 3.28Å; G131-A206 PolarHBondContact O-N 2.94Å; G131-A206 VanDerWaalsContact O-N 3.08Å; G132-A206 CarbonylContact C-O 3.14Å; G132-A206 WeakPolarHBondContact CA-O 3.27Å; I133-A206 PolarHBondContact N-O 2.82Å
207	P	98.3	Very high	98	Very high	24 Å²	24	27.9 Å²	27.9	16%	0.156	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	150.6	168.3	-22.3	33.6	0	0	0	112.8	T211 M216 T239	P207-T211 WeakPolarHBondContact CA-OG1 3.34Å; P207-M216 HydrophobicContact CG-CE 4.46Å; P207-M216 HydrophobicContact CG-CG 3.56Å; P207-M216 HydrophobicContact CG-SD 4.11Å; P207-T239 WeakPolarHBondContact CD-O 3.38Å
208	D	96.7	Very high	98	Very high	34 Å²	34	28.1 Å²	28.1	18%	0.182	16%	0.163	C	C	.	.			trans	-143.4	-158.1	166.2	-154.8	-79.9	0	0	0	108.4	I133 R134 K166 S210 T211	I133-D208 WeakPolarHBondContact O-CB 3.49Å; I133-D208 PolarHBondContact O-N 3.17Å; R134-D208 HydrophobicContact CB-CB 4.15Å; R134-D208 IonicContact CZ-OD1 2.64Å; R134-D208 IonicContact NE-OD1 3.6Å; R134-D208 PolarHBondContact NE-OD1 3.45Å; R134-D208 IonicContact NH2-OD1 3.5Å; R134-D208 PolarHBondContact NH2-OD1 2.78Å; K166-D208 WeakPolarHBondContact CE-OD2 3.06Å; K166-D208 IonicContact NZ-OD2 3.32Å; K166-D208 PolarHBondContact NZ-OD2 3.01Å; D208-S210 PolarHBondContact O-N 3.33Å; D208-T211 PolarHBondContact N-OG1 3.28Å; D208-T211 PolarHBondContact O-N 3.44Å; D208-T211 VanDerWaalsContact O-O 3.09Å; D208-T211 PolarHBondContact O-OG1 3.34Å
209	M	93.4	Very high	98	Very high	63 Å²	63	28 Å²	28	31%	0.31	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130.5	176.7	-67.9	175.9	64.3	0	0	111.4	R134 Y135 T211	R134-M209 HydrophobicContact CG-CB 4.13Å; R134-M209 PolarHBondContact NH2-SD 3.27Å; Y135-M209 PolarHBondContact N-O 2.97Å; M209-T211 PolarHBondContact O-N 3.4Å
210	S	95.6	Very high	98	Very high	69 Å²	69	27.9 Å²	27.9	48%	0.483	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	19.4	179.1	-48.7	0	0	0	0	115.6	Y135 D208	Y135-S210 VanDerWaalsContact O-CB 3.23Å; Y135-S210 WeakPolarHBondContact O-CB 3.39Å; Y135-S210 PolarHBondContact O-OG 2.9Å; D208-S210 PolarHBondContact O-N 3.33Å
211	T	97.8	Very high	98.1	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	18%	0.175	C	C	.	.			trans	-131.2	151.5	168.4	64.3	0	0	0	0	110.6	I133 Y135 P207 D208 M209 E215	I133-T211 VanDerWaalsContact O-CG2 3.28Å; I133-T211 WeakPolarHBondContact O-CG2 3.25Å; I133-T211 PolarHBondContact O-OG1 3Å; Y135-T211 HydrophobicContact CD1-CG2 3.72Å; Y135-T211 HydrophobicContact CD2-CG2 3.8Å; Y135-T211 HydrophobicContact CE1-CG2 3.99Å; Y135-T211 HydrophobicContact CE2-CG2 4.1Å; Y135-T211 HydrophobicContact CG-CG2 3.64Å; P207-T211 WeakPolarHBondContact CA-OG1 3.34Å; D208-T211 PolarHBondContact N-OG1 3.28Å; D208-T211 PolarHBondContact O-N 3.44Å; D208-T211 VanDerWaalsContact O-O 3.09Å; D208-T211 PolarHBondContact O-OG1 3.34Å; M209-T211 PolarHBondContact O-N 3.4Å; T211-E215 HydrophobicContact CG2-CG 4.23Å
212	G	97.3	Very high	98.1	Very high	17 Å²	17	28.4 Å²	28.4	18%	0.175	15%	0.152	C	C	.	.			trans	-151.3	-156.7	-176.3	0	0	0	0	0	112.8	R214 E215 M216	G212-R214 PolarHBondContact O-N 3.47Å; G212-E215 PolarHBondContact N-OE2 3.04Å; G212-E215 PolarHBondContact O-N 3.24Å; G212-M216 WeakPolarHBondContact O-CG 3.43Å; G212-M216 PolarHBondContact O-N 3.01Å; G212-M216 VanDerWaalsContact O-N 3.16Å
213	E	98.3	Very high	98.1	Very high	68 Å²	68	24.9 Å²	24.9	32%	0.318	13%	0.133	S	C	.	.	H	α-helix	trans	-56.4	-34.8	-179.3	-65.6	-171.4	129.3	0	0	112.4	M216 S217 G240 P242 I252	E213-M216 PolarHBondContact O-N 3.01Å; E213-S217 WeakPolarHBondContact O-CB 3.13Å; E213-S217 PolarHBondContact O-N 3.19Å; E213-G240 WeakPolarHBondContact CA-O 3.32Å; E213-P242 HydrophobicContact CB-CG 3.98Å; E213-P242 WeakPolarHBondContact O-CD 3.42Å; E213-I252 VanDerWaalsContact CD-CD1 3.44Å; E213-I252 HydrophobicContact CG-CD1 4.07Å; E213-I252 HydrophobicContact CG-CG1 4.17Å
214	R	98.4	Very high	98.1	Very high	94 Å²	94	25.6 Å²	25.6	36%	0.355	14%	0.139	S	C	.	.	H	α-helix	trans	-61.1	-52.9	179.1	-174.4	-179	66.6	176.5	7.2	112.3	D178 G212 M216 S217 W218	D178-R214 IonicContact OD1-CZ 3.98Å; D178-R214 IonicContact OD1-NH1 3.67Å; D178-R214 PolarHBondContact OD1-NH1 2.85Å; D178-R214 IonicContact OD1-NH2 3.43Å; D178-R214 IonicContact OD2-NH1 3.76Å; D178-R214 PolarHBondContact OD2-NH1 2.86Å; G212-R214 PolarHBondContact O-N 3.47Å; R214-M216 VanDerWaalsContact C-N 3.32Å; R214-M216 PolarHBondContact O-N 2.7Å; R214-S217 VanDerWaalsContact O-CB 3.3Å; R214-S217 WeakPolarHBondContact O-CB 3.28Å; R214-S217 PolarHBondContact O-N 3.12Å; R214-W218 VanDerWaalsContact CD-CH2 3.48Å; R214-W218 HydrophobicContact CG-CD2 4.28Å; R214-W218 HydrophobicContact CG-CE3 4.39Å; R214-W218 HydrophobicContact CG-CH2 3.64Å; R214-W218 HydrophobicContact CG-CZ2 3.47Å; R214-W218 VanDerWaalsContact CG-CZ2 3.47Å; R214-W218 HydrophobicContact CG-CZ3 4.09Å; R214-W218 PolarHBondContact O-N 3.01Å
215	E	98.8	Very high	98.1	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-37.3	179.2	-67.6	68.7	-144.5	0	0	111.1	Y135 T185 T211 G212 S217 W218 I219	Y135-E215 HydrophobicContact CE2-CG 4.2Å; T185-E215 HydrophobicContact CG2-CB 4.16Å; T211-E215 HydrophobicContact CG2-CG 4.23Å; G212-E215 PolarHBondContact N-OE2 3.04Å; G212-E215 PolarHBondContact O-N 3.24Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 3.36Å; E215-W218 HydrophobicContact CB-CE3 4.4Å; E215-W218 HydrophobicContact CG-CE3 4.09Å; E215-W218 HydrophobicContact CG-CZ3 4.03Å; E215-W218 PolarHBondContact O-N 3.15Å; E215-I219 WeakPolarHBondContact O-CD1 3.3Å; E215-I219 WeakPolarHBondContact O-CG1 3.27Å; E215-I219 PolarHBondContact O-N 3.15Å
216	M	98.8	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-34	176.9	-60.3	-52.7	105.8	0	0	112.5	P207 G212 E213 R214 I219 A220 V238 T239 G240 K241	P207-M216 HydrophobicContact CG-CE 4.46Å; P207-M216 HydrophobicContact CG-CG 3.56Å; P207-M216 HydrophobicContact CG-SD 4.11Å; G212-M216 WeakPolarHBondContact O-CG 3.43Å; G212-M216 PolarHBondContact O-N 3.01Å; G212-M216 VanDerWaalsContact O-N 3.16Å; E213-M216 PolarHBondContact O-N 3.01Å; R214-M216 VanDerWaalsContact C-N 3.32Å; R214-M216 PolarHBondContact O-N 2.7Å; M216-I219 HydrophobicContact CE-CD1 3.57Å; M216-I219 PolarHBondContact O-N 3.35Å; M216-I219 HydrophobicContact SD-CD1 3.97Å; M216-A220 WeakPolarHBondContact O-CB 3.45Å; M216-A220 PolarHBondContact O-N 3.19Å; M216-V238 HydrophobicContact CB-CG2 4.23Å; M216-V238 HydrophobicContact CG-CG2 4.26Å; M216-V238 HydrophobicContact SD-CG2 3.34Å; M216-V238 WeakPolarHBondContact SD-CG2 3.36Å; M216-T239 WeakPolarHBondContact CG-O 3.46Å; M216-G240 WeakPolarHBondContact CB-O 3.46Å; M216-G240 WeakPolarHBondContact CG-O 3.38Å; M216-K241 HydrophobicContact CB-CG 4.27Å
217	S	98.8	Very high	97.9	Very high	17 Å²	17	37.3 Å²	37.3	12%	0.119	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-51.1	171.9	174.2	0	0	0	0	111.4	E213 R214 E215 I219 A220 D221 Q245	E213-S217 WeakPolarHBondContact O-CB 3.13Å; E213-S217 PolarHBondContact O-N 3.19Å; R214-S217 VanDerWaalsContact O-CB 3.3Å; R214-S217 WeakPolarHBondContact O-CB 3.28Å; R214-S217 PolarHBondContact O-N 3.12Å; E215-S217 VanDerWaalsContact C-N 3.29Å; E215-S217 PolarHBondContact O-N 3.36Å; S217-I219 VanDerWaalsContact C-N 3.3Å; S217-I219 PolarHBondContact O-N 2.86Å; S217-A220 PolarHBondContact O-N 3.33Å; S217-D221 WeakPolarHBondContact O-CB 3.25Å; S217-D221 PolarHBondContact O-N 3.31Å; S217-Q245 PolarHBondContact OG-NE2 3.16Å; S217-Q245 PolarHBondContact OG-OE1 3.26Å
218	W	98.9	Very high	97.8	Very high	26 Å²	26	36.4 Å²	36.4	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-37.4	178.8	-62	-34.1	0	0	0	112.8	L181 E182 T185 R186 R214 E215 T222	L181-W218 HydrophobicContact CB-CH2 4.26Å; L181-W218 HydrophobicContact CB-CZ3 4.08Å; E182-W218 HydrophobicContact CB-CD2 3.97Å; E182-W218 HydrophobicContact CB-CE3 4.15Å; E182-W218 HydrophobicContact CB-CH2 3.81Å; E182-W218 HydrophobicContact CB-CZ2 3.62Å; E182-W218 HydrophobicContact CB-CZ3 4.08Å; E182-W218 HydrophobicContact CG-CD2 3.83Å; E182-W218 HydrophobicContact CG-CE3 4.42Å; E182-W218 HydrophobicContact CG-CG 3.99Å; E182-W218 HydrophobicContact CG-CZ2 4.09Å; T185-W218 HydrophobicContact CG2-CB 4.04Å; T185-W218 HydrophobicContact CG2-CE3 4.18Å; R186-W218 HydrophobicContact CG-CB 4.16Å; R214-W218 VanDerWaalsContact CD-CH2 3.48Å; R214-W218 HydrophobicContact CG-CD2 4.28Å; R214-W218 HydrophobicContact CG-CE3 4.39Å; R214-W218 HydrophobicContact CG-CH2 3.64Å; R214-W218 HydrophobicContact CG-CZ2 3.47Å; R214-W218 VanDerWaalsContact CG-CZ2 3.47Å; R214-W218 HydrophobicContact CG-CZ3 4.09Å; R214-W218 PolarHBondContact O-N 3.01Å; E215-W218 HydrophobicContact CB-CE3 4.4Å; E215-W218 HydrophobicContact CG-CE3 4.09Å; E215-W218 HydrophobicContact CG-CZ3 4.03Å; E215-W218 PolarHBondContact O-N 3.15Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.31Å; W218-T222 PolarHBondContact O-N 3.08Å; W218-T222 PolarHBondContact O-OG1 3.31Å
219	I	98.9	Very high	97.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-50.7	175.7	-66.7	161.8	0	0	0	110.3	I133 T185 T189 I198 E215 M216 S217 T222 F223 V238	I133-I219 HydrophobicContact CD1-CD1 3.57Å; T185-I219 HydrophobicContact CG2-CD1 4.11Å; T185-I219 HydrophobicContact CG2-CG1 3.57Å; T189-I219 HydrophobicContact CG2-CG2 4.01Å; T189-I219 WeakPolarHBondContact OG1-CG1 3.48Å; I198-I219 HydrophobicContact CD1-CG2 3.41Å; I198-I219 VanDerWaalsContact CD1-CG2 3.41Å; E215-I219 WeakPolarHBondContact O-CD1 3.3Å; E215-I219 WeakPolarHBondContact O-CG1 3.27Å; E215-I219 PolarHBondContact O-N 3.15Å; M216-I219 HydrophobicContact CE-CD1 3.57Å; M216-I219 PolarHBondContact O-N 3.35Å; M216-I219 HydrophobicContact SD-CD1 3.97Å; S217-I219 VanDerWaalsContact C-N 3.3Å; S217-I219 PolarHBondContact O-N 2.86Å; I219-T222 PolarHBondContact O-N 2.88Å; I219-F223 WeakPolarHBondContact O-CB 3.44Å; I219-F223 PolarHBondContact O-N 2.89Å; I219-V238 HydrophobicContact CB-CG1 4.28Å; I219-V238 HydrophobicContact CB-CG2 4.38Å; I219-V238 HydrophobicContact CD1-CG2 4.39Å; I219-V238 HydrophobicContact CG2-CB 3.86Å; I219-V238 HydrophobicContact CG2-CG1 3.97Å; I219-V238 HydrophobicContact CG2-CG2 4.01Å
220	A	98.8	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-49.3	-178.2	0	0	0	0	0	111.4	M216 S217 F223 A224 V238 K241	M216-A220 WeakPolarHBondContact O-CB 3.45Å; M216-A220 PolarHBondContact O-N 3.19Å; S217-A220 PolarHBondContact O-N 3.33Å; A220-F223 PolarHBondContact O-N 2.9Å; A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3.03Å; A220-V238 HydrophobicContact CB-CG1 3.62Å; A220-K241 HydrophobicContact CB-CD 3.69Å; A220-K241 HydrophobicContact CB-CG 4.46Å
221	D	98.8	Very high	98.2	Very high	63 Å²	63	46.6 Å²	46.6	34%	0.337	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-46.7	179.5	179	62.3	0	0	0	111.6	R186 S217 F223 A224 T225	R186-D221 IonicContact CZ-OD2 3.28Å; R186-D221 VanDerWaalsContact CZ-OD2 3.28Å; R186-D221 IonicContact NH1-OD2 2.7Å; R186-D221 PolarHBondContact NH1-OD2 3.15Å; R186-D221 IonicContact NH2-OD2 2.96Å; R186-D221 PolarHBondContact NH2-OD2 2.95Å; S217-D221 WeakPolarHBondContact O-CB 3.25Å; S217-D221 PolarHBondContact O-N 3.31Å; D221-F223 PolarHBondContact O-N 3.32Å; D221-A224 PolarHBondContact O-N 3.38Å; D221-T225 WeakPolarHBondContact O-CB 3.29Å; D221-T225 VanDerWaalsContact O-CG2 3.29Å; D221-T225 WeakPolarHBondContact O-CG2 3.44Å; D221-T225 PolarHBondContact O-N 3.45Å; D221-T225 PolarHBondContact O-OG1 3.21Å
222	T	98.8	Very high	98.3	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-45	178.3	-57	0	0	0	0	111.9	R186 T189 I190 W218 I219 T225 T226	R186-T222 HydrophobicContact CB-CG2 4.35Å; R186-T222 VanDerWaalsContact CG-OG1 3.23Å; R186-T222 WeakPolarHBondContact CG-OG1 3.35Å; R186-T222 PolarHBondContact NH1-OG1 3.44Å; T189-T222 HydrophobicContact CG2-CG2 4.16Å; I190-T222 HydrophobicContact CD1-CG2 3.63Å; I190-T222 HydrophobicContact CG1-CG2 3.74Å; W218-T222 VanDerWaalsContact O-CB 3.24Å; W218-T222 WeakPolarHBondContact O-CB 3.31Å; W218-T222 PolarHBondContact O-N 3.08Å; W218-T222 PolarHBondContact O-OG1 3.31Å; I219-T222 PolarHBondContact O-N 2.88Å; T222-T225 PolarHBondContact O-OG1 2.86Å; T222-T226 WeakPolarHBondContact O-CB 3.15Å; T222-T226 WeakPolarHBondContact O-CG2 3.35Å; T222-T226 PolarHBondContact O-N 3.25Å; T222-T226 PolarHBondContact O-OG1 2.87Å
223	F	98.8	Very high	98.3	Very high	13 Å²	13	53.7 Å²	53.7	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-48.2	179.3	-173.9	-89.2	0	0	0	111	T189 A193 I198 P200 I219 A220 D221 T225 T226 M227 G228 A234 C237	T189-F223 HydrophobicContact CG2-CB 4.41Å; A193-F223 HydrophobicContact CB-CD2 4.16Å; A193-F223 HydrophobicContact CB-CE2 4.23Å; I198-F223 HydrophobicContact CD1-CD2 4.39Å; I198-F223 HydrophobicContact CG1-CD2 4.25Å; I198-F223 HydrophobicContact CG2-CD2 4.08Å; I198-F223 HydrophobicContact CG2-CE2 4.23Å; I198-F223 WeakPolarHBondContact O-CE2 3.12Å; P200-F223 HydrophobicContact CG-CE1 4.36Å; I219-F223 WeakPolarHBondContact O-CB 3.44Å; I219-F223 PolarHBondContact O-N 2.89Å; A220-F223 PolarHBondContact O-N 2.9Å; D221-F223 PolarHBondContact O-N 3.32Å; F223-T225 PolarHBondContact O-N 3.36Å; F223-T226 PolarHBondContact O-N 2.73Å; F223-M227 HydrophobicContact CE2-CB 4.48Å; F223-M227 PolarHBondContact O-N 2.91Å; F223-G228 WeakPolarHBondContact O-CA 3.35Å; F223-G228 PolarHBondContact O-N 3.46Å; F223-A234 HydrophobicContact CD1-CB 4.39Å; F223-C237 HydrophobicContact CB-CB 4.45Å; F223-C237 HydrophobicContact CD1-CB 3.57Å; F223-C237 HydrophobicContact CD2-CB 4.36Å; F223-C237 HydrophobicContact CE1-CB 3.84Å; F223-C237 HydrophobicContact CG-CB 3.86Å; F223-C237 HydrophobicContact CZ-CB 4.34Å
224	A	98.5	Very high	98.3	Very high	15 Å²	15	50.6 Å²	50.6	12%	0.124	25%	0.25	C	C	.	.	H	α-helix	trans	-66.4	-34.6	-177.2	0	0	0	0	0	113.3	A220 D221 G228 H229 A234	A220-A224 VanDerWaalsContact O-CB 3.25Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3.03Å; D221-A224 PolarHBondContact O-N 3.38Å; A224-G228 CarbonylContact O-C 3.41Å; A224-H229 WeakPolarHBondContact O-CA 3.42Å; A224-H229 PolarHBondContact O-N 3.21Å; A224-A234 HydrophobicContact CB-CB 3.9Å
225	T	98.2	Very high	98.3	Very high	88 Å²	88	50.6 Å²	50.6	54%	0.54	25%	0.254	S	S	.	.	H	α-helix	trans	-82.7	-13.7	179.4	54.6	0	0	0	0	113.9	D221 T222 F223	D221-T225 WeakPolarHBondContact O-CB 3.29Å; D221-T225 VanDerWaalsContact O-CG2 3.29Å; D221-T225 WeakPolarHBondContact O-CG2 3.44Å; D221-T225 PolarHBondContact O-N 3.45Å; D221-T225 PolarHBondContact O-OG1 3.21Å; T222-T225 PolarHBondContact O-OG1 2.86Å; F223-T225 PolarHBondContact O-N 3.36Å
226	T	98.4	Very high	98.3	Very high	54 Å²	54	50.2 Å²	50.2	33%	0.331	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-97.7	-177.4	64.4	0	0	0	0	112	I190 T222 F223 G228 H229	I190-T226 HydrophobicContact CD1-CG2 4.04Å; I190-T226 VanDerWaalsContact CD1-OG1 3.3Å; I190-T226 WeakPolarHBondContact CD1-OG1 3.4Å; T222-T226 WeakPolarHBondContact O-CB 3.15Å; T222-T226 WeakPolarHBondContact O-CG2 3.35Å; T222-T226 PolarHBondContact O-N 3.25Å; T222-T226 PolarHBondContact O-OG1 2.87Å; F223-T226 PolarHBondContact O-N 2.73Å; T226-G228 VanDerWaalsContact C-N 3.27Å; T226-G228 PolarHBondContact O-N 3.25Å; T226-H229 PolarHBondContact O-N 2.66Å; T226-H229 PolarHBondContact O-ND1 3.02Å
227	M	95.6	Very high	98.3	Very high	111 Å²	111	50.2 Å²	50.2	55%	0.547	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28	-172.7	-60.4	-63.5	-70.1	0	0	112.8	A193 F223	A193-M227 HydrophobicContact CB-CB 4.33Å; A193-M227 HydrophobicContact CB-CG 3.85Å; F223-M227 HydrophobicContact CE2-CB 4.48Å; F223-M227 PolarHBondContact O-N 2.91Å
228	G	97.2	Very high	98.3	Very high	4 Å²	4	49.4 Å²	49.4	4%	0.041	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.5	-177	0	0	0	0	0	115.4	F223 A224 T226 Y230 D231 A234	F223-G228 WeakPolarHBondContact O-CA 3.35Å; F223-G228 PolarHBondContact O-N 3.46Å; A224-G228 CarbonylContact O-C 3.41Å; T226-G228 VanDerWaalsContact C-N 3.27Å; T226-G228 PolarHBondContact O-N 3.25Å; G228-Y230 PolarHBondContact O-N 2.76Å; G228-Y230 VanDerWaalsContact O-N 3.1Å; G228-D231 WeakPolarHBondContact O-CB 3.47Å; G228-D231 PolarHBondContact O-N 2.97Å; G228-A234 WeakPolarHBondContact O-CB 3.46Å
229	H	97.6	Very high	98.3	Very high	106 Å²	106	48.2 Å²	48.2	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.2	-171.3	67.4	-77.9	0	0	0	115.8	A224 T226	A224-H229 WeakPolarHBondContact O-CA 3.42Å; A224-H229 PolarHBondContact O-N 3.21Å; T226-H229 PolarHBondContact O-N 2.66Å; T226-H229 PolarHBondContact O-ND1 3.02Å
230	Y	98.1	Very high	98.3	Very high	211 Å²	211	48.3 Å²	48.3	83%	0.827	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-3.3	172.9	-65.3	-54.4	0	0	0	113.9	G228 I232	G228-Y230 PolarHBondContact O-N 2.76Å; G228-Y230 VanDerWaalsContact O-N 3.1Å; Y230-I232 PolarHBondContact O-N 3.45Å
231	D	98.3	Very high	98.3	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	24%	0.244	S	C	.	.			trans	-82.7	114.8	-179.7	-172.4	-9.8	0	0	0	110	P200 G228 N233 A234	P200-D231 WeakPolarHBondContact CG-OD2 3.37Å; G228-D231 WeakPolarHBondContact O-CB 3.47Å; G228-D231 PolarHBondContact O-N 2.97Å; D231-N233 PolarHBondContact O-N 3.3Å; D231-N233 VanDerWaalsContact O-N 3.09Å; D231-N233 WeakPolarHBondContact OD1-CA 3.28Å; D231-N233 WeakPolarHBondContact OD1-CB 3.26Å; D231-N233 PolarHBondContact OD1-N 3.34Å; D231-A234 HydrophobicContact CB-CB 4.24Å; D231-A234 VanDerWaalsContact O-CB 3.25Å; D231-A234 WeakPolarHBondContact O-CB 3.13Å; D231-A234 PolarHBondContact O-N 2.89Å
232	I	98.2	Very high	98.2	Very high	130 Å²	130	46.4 Å²	46.4	67%	0.667	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.6	175.5	-168	171.6	0	0	0	112.7	Y230 H431	Y230-I232 PolarHBondContact O-N 3.45Å; I232-H431 PolarHBondContact O-NE2 3.47Å
233	N	98.6	Very high	98.2	Very high	44 Å²	44	50.9 Å²	50.9	24%	0.235	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	13.1	-179.9	-61.8	-48.2	0	0	0	112.7	P200 D231 H235 A236 L429 H431	P200-N233 HydrophobicContact CB-CB 4.02Å; P200-N233 HydrophobicContact CG-CB 4.24Å; P200-N233 WeakPolarHBondContact CG-O 3.44Å; D231-N233 PolarHBondContact O-N 3.3Å; D231-N233 VanDerWaalsContact O-N 3.09Å; D231-N233 WeakPolarHBondContact OD1-CA 3.28Å; D231-N233 WeakPolarHBondContact OD1-CB 3.26Å; D231-N233 PolarHBondContact OD1-N 3.34Å; N233-H235 PolarHBondContact O-N 3.42Å; N233-A236 WeakPolarHBondContact O-CA 3.39Å; N233-A236 VanDerWaalsContact O-CB 3.25Å; N233-A236 WeakPolarHBondContact O-CB 3.38Å; N233-A236 PolarHBondContact O-N 3.27Å; N233-L429 HydrophobicContact CB-CD2 3.85Å; N233-L429 WeakPolarHBondContact OD1-CD2 2.96Å; N233-H431 PolarHBondContact OD1-CE1 3.25Å; N233-H431 VanDerWaalsContact OD1-CE1 3.29Å
234	A	98.4	Very high	98.1	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-50	-39.6	-173.2	0	0	0	0	0	114.1	F223 A224 G228 D231 A236 C237	F223-A234 HydrophobicContact CD1-CB 4.39Å; A224-A234 HydrophobicContact CB-CB 3.9Å; G228-A234 WeakPolarHBondContact O-CB 3.46Å; D231-A234 HydrophobicContact CB-CB 4.24Å; D231-A234 VanDerWaalsContact O-CB 3.25Å; D231-A234 WeakPolarHBondContact O-CB 3.13Å; D231-A234 PolarHBondContact O-N 2.89Å; A234-A236 PolarHBondContact O-N 2.99Å; A234-C237 WeakPolarHBondContact O-CB 3.22Å; A234-C237 PolarHBondContact O-N 3.46Å; A234-C237 VanDerWaalsContact O-N 3.07Å; A234-C237 PolarHBondContact O-SG 2.88Å
235	H	98.2	Very high	98.1	Very high	94 Å²	94	58.3 Å²	58.3	44%	0.435	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-73.1	-12.6	-179.8	-68.4	84.7	0	0	0	114.1	N233 C237 K241 N428	N233-H235 PolarHBondContact O-N 3.42Å; H235-C237 PolarHBondContact O-N 3.26Å; H235-K241 VanDerWaalsContact O-CE 3.25Å; H235-K241 WeakPolarHBondContact O-CE 3.42Å; H235-K241 PolarHBondContact O-NZ 2.82Å; H235-N428 PolarHBondContact O-OD1 3.13Å
236	A	98.7	Very high	98	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-81	1.5	169.6	0	0	0	0	0	112.5	P200 N233 A234 V238 W425 N428 L429	P200-A236 HydrophobicContact CB-CB 4.18Å; N233-A236 WeakPolarHBondContact O-CA 3.39Å; N233-A236 VanDerWaalsContact O-CB 3.25Å; N233-A236 WeakPolarHBondContact O-CB 3.38Å; N233-A236 PolarHBondContact O-N 3.27Å; A234-A236 PolarHBondContact O-N 2.99Å; A236-V238 PolarHBondContact O-N 2.92Å; A236-W425 VanDerWaalsContact O-CD1 3.26Å; A236-N428 HydrophobicContact CB-CB 3.73Å; A236-L429 HydrophobicContact CB-CD2 4.04Å
237	C	98.6	Very high	98	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.4	-19.5	177	70.8	0	0	0	0	113.5	I198 P200 V204 P205 F223 A234 H235	I198-C237 HydrophobicContact CG1-CB 4.27Å; P200-C237 HydrophobicContact CG-CB 4.07Å; V204-C237 WeakPolarHBondContact CA-O 3.38Å; P205-C237 WeakPolarHBondContact CD-O 3.41Å; F223-C237 HydrophobicContact CB-CB 4.45Å; F223-C237 HydrophobicContact CD1-CB 3.57Å; F223-C237 HydrophobicContact CD2-CB 4.36Å; F223-C237 HydrophobicContact CE1-CB 3.84Å; F223-C237 HydrophobicContact CG-CB 3.86Å; F223-C237 HydrophobicContact CZ-CB 4.34Å; A234-C237 WeakPolarHBondContact O-CB 3.22Å; A234-C237 PolarHBondContact O-N 3.46Å; A234-C237 VanDerWaalsContact O-N 3.07Å; A234-C237 PolarHBondContact O-SG 2.88Å; H235-C237 PolarHBondContact O-N 3.26Å
238	V	98.9	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.			trans	-147.1	153.6	-179.2	66.3	0	0	0	0	110.1	P205 M216 I219 A220 A236 K241	P205-V238 HydrophobicContact CB-CG2 4.05Å; M216-V238 HydrophobicContact CB-CG2 4.23Å; M216-V238 HydrophobicContact CG-CG2 4.26Å; M216-V238 HydrophobicContact SD-CG2 3.34Å; M216-V238 WeakPolarHBondContact SD-CG2 3.36Å; I219-V238 HydrophobicContact CB-CG1 4.28Å; I219-V238 HydrophobicContact CB-CG2 4.38Å; I219-V238 HydrophobicContact CD1-CG2 4.39Å; I219-V238 HydrophobicContact CG2-CB 3.86Å; I219-V238 HydrophobicContact CG2-CG1 3.97Å; I219-V238 HydrophobicContact CG2-CG2 4.01Å; A220-V238 HydrophobicContact CB-CG1 3.62Å; A236-V238 PolarHBondContact O-N 2.92Å; V238-K241 HydrophobicContact CG1-CD 3.97Å; V238-K241 HydrophobicContact CG1-CG 4.04Å; V238-K241 PolarHBondContact O-NZ 3.32Å
239	T	98.8	Very high	98.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.			trans	-124.5	170.4	178.1	56.4	0	0	0	0	110.9	K130 V204 P205 P207 M216 K241 S421 E424 W425	K130-T239 WeakPolarHBondContact CE-OG1 3.31Å; K130-T239 PolarHBondContact NZ-OG1 2.94Å; V204-T239 HydrophobicContact CG1-CG2 3.83Å; P205-T239 PolarHBondContact O-N 3.42Å; P205-T239 PolarHBondContact O-OG1 2.85Å; P205-T239 VanDerWaalsContact O-OG1 3.07Å; P207-T239 WeakPolarHBondContact CD-O 3.38Å; M216-T239 WeakPolarHBondContact CG-O 3.46Å; T239-K241 VanDerWaalsContact C-N 3.33Å; T239-S421 VanDerWaalsContact CG2-O 3.3Å; T239-S421 WeakPolarHBondContact CG2-O 3.3Å; T239-S421 WeakPolarHBondContact OG1-CB 3.48Å; T239-S421 PolarHBondContact OG1-OG 2.69Å; T239-E424 VanDerWaalsContact CA-OE1 3.23Å; T239-E424 WeakPolarHBondContact CA-OE1 3.31Å; T239-E424 HydrophobicContact CG2-CB 4.24Å; T239-E424 HydrophobicContact CG2-CG 4.45Å; T239-W425 HydrophobicContact CG2-CB 4.11Å
240	G	98.3	Very high	97.9	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	75.7	26.3	-170	0	0	0	0	0	112.2	E213 M216 E424	E213-G240 WeakPolarHBondContact CA-O 3.32Å; M216-G240 WeakPolarHBondContact CB-O 3.46Å; M216-G240 WeakPolarHBondContact CG-O 3.38Å; G240-E424 WeakPolarHBondContact CA-OE2 3.43Å; G240-E424 VanDerWaalsContact N-CD 3.25Å; G240-E424 PolarHBondContact N-OE1 3.46Å; G240-E424 PolarHBondContact N-OE2 2.84Å
241	K	98.7	Very high	97.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	21%	0.211	C	C	.	.			trans	-74.1	158.7	177.5	-64.2	-176.1	-59.6	-60.1	0	110.7	M216 A220 H235 V238 T239 Q245 G247 E424 N428	M216-K241 HydrophobicContact CB-CG 4.27Å; A220-K241 HydrophobicContact CB-CD 3.69Å; A220-K241 HydrophobicContact CB-CG 4.46Å; H235-K241 VanDerWaalsContact O-CE 3.25Å; H235-K241 WeakPolarHBondContact O-CE 3.42Å; H235-K241 PolarHBondContact O-NZ 2.82Å; V238-K241 HydrophobicContact CG1-CD 3.97Å; V238-K241 HydrophobicContact CG1-CG 4.04Å; V238-K241 PolarHBondContact O-NZ 3.32Å; T239-K241 VanDerWaalsContact C-N 3.33Å; K241-Q245 WeakPolarHBondContact CD-O 3.42Å; K241-Q245 WeakPolarHBondContact CE-O 3.34Å; K241-G247 VanDerWaalsContact O-CA 3.3Å; K241-G247 WeakPolarHBondContact O-CA 3.45Å; K241-E424 PolarHBondContact N-OE1 3.08Å; K241-E424 VanDerWaalsContact N-OE1 3.12Å; K241-E424 IonicContact NZ-OE1 3.2Å; K241-E424 PolarHBondContact NZ-OE1 3.47Å; K241-N428 WeakPolarHBondContact CE-OD1 3.14Å; K241-N428 PolarHBondContact NZ-OD1 3.22Å
242	P	98.4	Very high	97.7	Very high	22 Å²	22	38 Å²	38	14%	0.143	21%	0.212	C	C	.	.			trans	-54.8	146.2	164.5	-17.2	26.8	0	0	0	110.8	E213 S244 Q245 G247	E213-P242 HydrophobicContact CB-CG 3.98Å; E213-P242 WeakPolarHBondContact O-CD 3.42Å; P242-S244 PolarHBondContact O-N 2.99Å; P242-Q245 PolarHBondContact O-N 3.38Å; P242-G247 WeakPolarHBondContact O-CA 3.46Å; P242-G247 PolarHBondContact O-N 3.14Å
243	I	97.9	Very high	97.7	Very high	101 Å²	101	32.6 Å²	32.6	52%	0.518	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-54.7	-39.1	179.1	-63.2	177.1	0	0	0	111.5	Q245 G246	I243-Q245 PolarHBondContact O-N 2.91Å; I243-G246 PolarHBondContact O-N 3.27Å
244	S	97.5	Very high	97.6	Very high	112 Å²	112	30.6 Å²	30.6	78%	0.783	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-64.1	-17.8	178.2	53.7	0	0	0	0	114.3	P242	P242-S244 PolarHBondContact O-N 2.99Å
245	Q	96.8	Very high	97.6	Very high	72 Å²	72	31.4 Å²	31.4	34%	0.336	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-111.2	28.7	-179.5	-61.4	-169.7	8.8	0	0	112.5	S217 K241 P242 I243	S217-Q245 PolarHBondContact OG-NE2 3.16Å; S217-Q245 PolarHBondContact OG-OE1 3.26Å; K241-Q245 WeakPolarHBondContact CD-O 3.42Å; K241-Q245 WeakPolarHBondContact CE-O 3.34Å; P242-Q245 PolarHBondContact O-N 3.38Å; I243-Q245 PolarHBondContact O-N 2.91Å
246	G	96.8	Very high	97.6	Very high	24 Å²	24	26.9 Å²	26.9	25%	0.247	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	11.7	-178.8	0	0	0	0	0	114.1	I243 N428	I243-G246 PolarHBondContact O-N 3.27Å; G246-N428 PolarHBondContact O-ND2 3.49Å
247	G	98	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.			trans	-59.6	165.2	166.7	0	0	0	0	0	112.7	K241 P242 K427	K241-G247 VanDerWaalsContact O-CA 3.3Å; K241-G247 WeakPolarHBondContact O-CA 3.45Å; P242-G247 WeakPolarHBondContact O-CA 3.46Å; P242-G247 PolarHBondContact O-N 3.14Å; G247-K427 PolarHBondContact O-NZ 2.87Å
248	I	98.1	Very high	97.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	17%	0.165	C	C	.	.			trans	-111.8	146.5	178.8	-158	171.2	0	0	0	111.7	G250 R251 V420 F423 E424 K427 E485 V489	I248-G250 PolarHBondContact O-N 3.44Å; I248-R251 HydrophobicContact CG2-CB 3.89Å; I248-R251 PolarHBondContact O-N 3.02Å; I248-V420 HydrophobicContact CG2-CG1 3.61Å; I248-F423 HydrophobicContact CD1-CB 3.57Å; I248-E424 HydrophobicContact CB-CB 3.85Å; I248-E424 HydrophobicContact CB-CG 4Å; I248-E424 HydrophobicContact CG2-CB 3.59Å; I248-E424 HydrophobicContact CG2-CG 4.08Å; I248-K427 HydrophobicContact CB-CD 4.38Å; I248-K427 HydrophobicContact CD1-CD 4.49Å; I248-K427 HydrophobicContact CG1-CD 4.13Å; I248-E485 WeakPolarHBondContact CA-OE1 3.33Å; I248-E485 HydrophobicContact CD1-CG 4.25Å; I248-E485 HydrophobicContact CG1-CG 3.72Å; I248-E485 WeakPolarHBondContact CG1-OE1 3.24Å; I248-V489 HydrophobicContact CD1-CG2 3.57Å; I248-V489 HydrophobicContact CG1-CG2 3.81Å
249	H	96.6	Very high	97.5	Very high	68 Å²	68	28.7 Å²	28.7	32%	0.315	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	136.6	176.7	-174.1	79.1	0	0	0	112.2	R251 E485	H249-R251 PolarHBondContact O-N 2.82Å; H249-E485 HydrophobicContact CB-CG 4.32Å; H249-E485 PolarHBondContact N-OE1 3.5Å
250	G	94.1	Very high	97.5	Very high	19 Å²	19	28.8 Å²	28.8	20%	0.196	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	0.1	171.2	0	0	0	0	0	115.5	I248 I252 S253 A254	I248-G250 PolarHBondContact O-N 3.44Å; G250-I252 PolarHBondContact O-N 2.98Å; G250-S253 CarbonylContact O-C 3.59Å; G250-S253 PolarHBondContact O-N 2.75Å; G250-S253 VanDerWaalsContact O-N 3.09Å; G250-S253 PolarHBondContact O-OG 2.77Å; G250-S253 VanDerWaalsContact O-OG 3.04Å; G250-A254 PolarHBondContact O-N 3.23Å
251	R	97.6	Very high	97.6	Very high	26 Å²	26	29.7 Å²	29.7	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-42.7	-176.6	178.8	53.8	-168.1	75.8	0.6	113.7	I248 H249 S253 A254 G417 V420 S421	I248-R251 HydrophobicContact CG2-CB 3.89Å; I248-R251 PolarHBondContact O-N 3.02Å; H249-R251 PolarHBondContact O-N 2.82Å; R251-S253 PolarHBondContact O-N 3.27Å; R251-A254 VanDerWaalsContact O-CB 3.27Å; R251-A254 WeakPolarHBondContact O-CB 3.5Å; R251-A254 PolarHBondContact O-N 3.28Å; R251-A254 VanDerWaalsContact O-N 3.16Å; R251-G417 PolarHBondContact NE-O 3Å; R251-G417 VanDerWaalsContact NE-O 3.14Å; R251-G417 PolarHBondContact NH2-O 2.78Å; R251-V420 HydrophobicContact CB-CG1 4.13Å; R251-S421 PolarHBondContact NE-OG 3.15Å; R251-S421 PolarHBondContact NH2-OG 3.18Å
252	I	95.4	Very high	97.6	Very high	69 Å²	69	29.6 Å²	29.6	35%	0.354	17%	0.169	S	C	.	.	H	α-helix	trans	-56.3	-44	177.8	-52.8	177.3	0	0	0	110.5	E213 G250 H298	E213-I252 VanDerWaalsContact CD-CD1 3.44Å; E213-I252 HydrophobicContact CG-CD1 4.07Å; E213-I252 HydrophobicContact CG-CG1 4.17Å; G250-I252 PolarHBondContact O-N 2.98Å; I252-H298 PolarHBondContact O-CD2 3.01Å
253	S	96.4	Very high	97.6	Very high	17 Å²	17	28.6 Å²	28.6	12%	0.119	16%	0.162	C	C	.	.	H	α-helix	trans	-86.3	-3.6	-178.6	75.9	0	0	0	0	115.3	G250 R251 T255 G256 R257 H298 Y302	G250-S253 CarbonylContact O-C 3.59Å; G250-S253 PolarHBondContact O-N 2.75Å; G250-S253 VanDerWaalsContact O-N 3.09Å; G250-S253 PolarHBondContact O-OG 2.77Å; G250-S253 VanDerWaalsContact O-OG 3.04Å; R251-S253 PolarHBondContact O-N 3.27Å; S253-T255 PolarHBondContact O-N 3.13Å; S253-G256 PolarHBondContact O-N 3.04Å; S253-R257 WeakPolarHBondContact O-CB 3.34Å; S253-R257 PolarHBondContact O-N 2.64Å; S253-H298 VanDerWaalsContact CA-CD2 3.41Å; S253-H298 WeakPolarHBondContact CA-CD2 3.34Å; S253-H298 WeakPolarHBondContact CB-ND1 3.44Å; S253-Y302 PolarHBondContact OG-OH 3.26Å; S253-Y302 VanDerWaalsContact OG-OH 3.1Å
254	A	97.4	Very high	97.6	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-40.5	-170.2	0	0	0	0	0	112.8	G250 R251 R257 G258 V420	G250-A254 PolarHBondContact O-N 3.23Å; R251-A254 VanDerWaalsContact O-CB 3.27Å; R251-A254 WeakPolarHBondContact O-CB 3.5Å; R251-A254 PolarHBondContact O-N 3.28Å; R251-A254 VanDerWaalsContact O-N 3.16Å; A254-R257 PolarHBondContact O-N 2.9Å; A254-G258 PolarHBondContact O-N 3.29Å; A254-V420 HydrophobicContact CB-CB 3.57Å; A254-V420 HydrophobicContact CB-CG1 4.04Å; A254-V420 HydrophobicContact CB-CG2 3.49Å; A254-V420 VanDerWaalsContact CB-CG2 3.49Å
255	T	97.5	Very high	97.7	Very high	21 Å²	21	22.4 Å²	22.4	13%	0.129	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-49.3	178.3	-47.3	0	0	0	0	110.7	S253 R257 G258 V259 V295 N414 G417	S253-T255 PolarHBondContact O-N 3.13Å; T255-R257 VanDerWaalsContact C-N 3.32Å; T255-R257 PolarHBondContact O-N 2.7Å; T255-G258 PolarHBondContact O-N 3.3Å; T255-G258 VanDerWaalsContact O-N 3.12Å; T255-V259 WeakPolarHBondContact O-CG2 3.34Å; T255-V259 PolarHBondContact O-N 3.21Å; T255-V295 HydrophobicContact CG2-CB 4.48Å; T255-V295 HydrophobicContact CG2-CG1 4.08Å; T255-V295 HydrophobicContact CG2-CG2 3.73Å; T255-N414 HydrophobicContact CG2-CB 3.93Å; T255-G417 WeakPolarHBondContact OG1-CA 3.01Å
256	G	98.2	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-32.4	178.1	0	0	0	0	0	113.7	S253 V259 F260 T299	S253-G256 PolarHBondContact O-N 3.04Å; G256-V259 PolarHBondContact O-N 3.43Å; G256-F260 PolarHBondContact O-N 3.21Å; G256-T299 VanDerWaalsContact CA-OG1 3.3Å; G256-T299 WeakPolarHBondContact CA-OG1 3.45Å
257	R	98.6	Very high	97.8	Very high	38 Å²	38	17.9 Å²	17.9	14%	0.143	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-40.2	171	-172.6	176.1	-71.5	-138.5	14.7	112	S253 A254 T255 F260 H261 Y302 H490 L493	S253-R257 WeakPolarHBondContact O-CB 3.34Å; S253-R257 PolarHBondContact O-N 2.64Å; A254-R257 PolarHBondContact O-N 2.9Å; T255-R257 VanDerWaalsContact C-N 3.32Å; T255-R257 PolarHBondContact O-N 2.7Å; R257-F260 WeakPolarHBondContact O-CB 3.44Å; R257-F260 PolarHBondContact O-N 3.36Å; R257-H261 PolarHBondContact O-CD2 3.24Å; R257-H261 VanDerWaalsContact O-CD2 3.27Å; R257-H261 PolarHBondContact O-N 3.21Å; R257-Y302 HydrophobicContact CB-CD2 3.95Å; R257-Y302 HydrophobicContact CB-CE2 3.5Å; R257-Y302 VanDerWaalsContact CB-CE2 3.5Å; R257-Y302 HydrophobicContact CG-CE1 4.39Å; R257-Y302 HydrophobicContact CG-CE2 4.22Å; R257-Y302 VanDerWaalsContact NE-CZ 3.29Å; R257-Y302 PolarHBondContact NE-OH 3.19Å; R257-Y302 PolarHBondContact NH2-OH 2.8Å; R257-H490 VanDerWaalsContact CZ-CD2 3.42Å; R257-H490 VanDerWaalsContact CZ-NE2 3.31Å; R257-H490 PolarHBondContact NH1-CD2 2.9Å; R257-H490 PolarHBondContact NH1-ND1 2.89Å; R257-H490 PolarHBondContact NH1-NE2 3.43Å; R257-H490 PolarHBondContact NH2-NE2 3.31Å; R257-L493 HydrophobicContact CB-CD2 3.95Å; R257-L493 HydrophobicContact CG-CD2 3.91Å
258	G	98.5	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-43.8	174	0	0	0	0	0	111.6	A254 T255 F260 H261 G262 L413 M497	A254-G258 PolarHBondContact O-N 3.29Å; T255-G258 PolarHBondContact O-N 3.3Å; T255-G258 VanDerWaalsContact O-N 3.12Å; G258-F260 VanDerWaalsContact C-N 3.34Å; G258-F260 PolarHBondContact O-N 2.96Å; G258-H261 PolarHBondContact O-N 3.44Å; G258-G262 PolarHBondContact O-N 3.33Å; G258-L413 CarbonylContact C-O 3.47Å; G258-M497 WeakPolarHBondContact O-CE 3.4Å
259	V	98.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-46.6	174.5	175.9	0	0	0	0	110.6	T255 G256 G262 I263 V295 T299 L413	T255-V259 WeakPolarHBondContact O-CG2 3.34Å; T255-V259 PolarHBondContact O-N 3.21Å; G256-V259 PolarHBondContact O-N 3.43Å; V259-G262 PolarHBondContact O-N 3.3Å; V259-I263 HydrophobicContact CG1-CD1 3.82Å; V259-I263 HydrophobicContact CG1-CG1 4.44Å; V259-I263 VanDerWaalsContact O-CG1 3.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.4Å; V259-I263 PolarHBondContact O-N 3.37Å; V259-V295 HydrophobicContact CG2-CG1 4.37Å; V259-T299 HydrophobicContact CB-CG2 4.09Å; V259-T299 HydrophobicContact CG1-CG2 3.5Å; V259-L413 HydrophobicContact CB-CG 4.32Å; V259-L413 HydrophobicContact CG1-CD1 4.38Å; V259-L413 HydrophobicContact CG1-CD2 4.1Å; V259-L413 HydrophobicContact CG1-CG 4.12Å; V259-L413 HydrophobicContact CG2-CG 4.18Å; V259-L413 PolarHBondContact N-O 2.9Å; V259-L413 WeakPolarHBondContact O-CD1 3.38Å
260	F	98.8	Very high	97.8	Very high	3 Å²	3	23 Å²	23	1%	0.013	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-54.5	173.9	163.2	-98	0	0	0	112.2	G256 R257 G258 G262 I263 E264 F282 Y302 L303 F306	G256-F260 PolarHBondContact O-N 3.21Å; R257-F260 WeakPolarHBondContact O-CB 3.44Å; R257-F260 PolarHBondContact O-N 3.36Å; G258-F260 VanDerWaalsContact C-N 3.34Å; G258-F260 PolarHBondContact O-N 2.96Å; F260-G262 VanDerWaalsContact C-N 3.29Å; F260-G262 PolarHBondContact O-N 3.02Å; F260-I263 PolarHBondContact O-N 3.5Å; F260-E264 HydrophobicContact CZ-CB 4.49Å; F260-E264 WeakPolarHBondContact O-CB 3.28Å; F260-E264 PolarHBondContact O-N 3.13Å; F260-F282 HydrophobicContact CD2-CE2 4.22Å; F260-F282 HydrophobicContact CD2-CZ 4.02Å; F260-F282 HydrophobicContact CE2-CD2 4.15Å; F260-F282 AromaticContact CE2-CE2 3.49Å; F260-F282 HydrophobicContact CE2-CE2 3.49Å; F260-F282 VanDerWaalsContact CE2-CE2 3.49Å; F260-F282 AromaticContact CE2-CZ 3.77Å; F260-F282 HydrophobicContact CE2-CZ 3.77Å; F260-F282 HydrophobicContact CZ-CE2 4.09Å; F260-Y302 HydrophobicContact CB-CG 4.37Å; F260-L303 HydrophobicContact CD2-CD2 4.13Å; F260-F306 HydrophobicContact CD2-CD2 4.24Å; F260-F306 HydrophobicContact CE1-CD2 4.2Å; F260-F306 AromaticContact CE1-CE2 3.87Å; F260-F306 HydrophobicContact CE1-CE2 3.87Å; F260-F306 HydrophobicContact CE1-CZ 4.08Å; F260-F306 HydrophobicContact CE2-CB 3.79Å; F260-F306 HydrophobicContact CE2-CD1 4.17Å; F260-F306 AromaticContact CE2-CD2 3.4Å; F260-F306 HydrophobicContact CE2-CD2 3.4Å; F260-F306 AromaticContact CE2-CE2 3.94Å; F260-F306 HydrophobicContact CE2-CE2 3.94Å; F260-F306 AromaticContact CE2-CG 3.52Å; F260-F306 HydrophobicContact CE2-CG 3.52Å; F260-F306 HydrophobicContact CZ-CB 4.31Å; F260-F306 AromaticContact CZ-CD1 3.8Å; F260-F306 HydrophobicContact CZ-CD1 3.8Å; F260-F306 AromaticContact CZ-CD2 3.39Å; F260-F306 HydrophobicContact CZ-CD2 3.39Å; F260-F306 AromaticContact CZ-CE1 3.85Å; F260-F306 HydrophobicContact CZ-CE1 3.85Å; F260-F306 AromaticContact CZ-CE2 3.45Å; F260-F306 HydrophobicContact CZ-CE2 3.45Å; F260-F306 VanDerWaalsContact CZ-CE2 3.45Å; F260-F306 AromaticContact CZ-CG 3.57Å; F260-F306 HydrophobicContact CZ-CG 3.57Å; F260-F306 AromaticContact CZ-CZ 3.68Å; F260-F306 HydrophobicContact CZ-CZ 3.68Å
261	H	98.8	Very high	97.9	Very high	23 Å²	23	25.1 Å²	25.1	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-36.3	-179.5	-73.9	-52.2	0	0	0	112.4	R257 G258 E264 N265 M497	R257-H261 PolarHBondContact O-CD2 3.24Å; R257-H261 VanDerWaalsContact O-CD2 3.27Å; R257-H261 PolarHBondContact O-N 3.21Å; G258-H261 PolarHBondContact O-N 3.44Å; H261-E264 IonicContact CE1-OE2 3.5Å; H261-E264 IonicContact CG-OE2 2.75Å; H261-E264 IonicContact ND1-OE2 2.7Å; H261-E264 PolarHBondContact ND1-OE2 2.78Å; H261-E264 WeakPolarHBondContact O-CB 3.42Å; H261-E264 PolarHBondContact O-N 3.03Å; H261-N265 PolarHBondContact O-N 2.83Å; H261-N265 PolarHBondContact O-ND2 3.33Å; H261-M497 HydrophobicContact CB-CB 3.84Å; H261-M497 HydrophobicContact CB-CG 4.1Å
262	G	98.7	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-43.7	177.1	0	0	0	0	0	112	G258 V259 F260 F266 Y412	G258-G262 PolarHBondContact O-N 3.33Å; V259-G262 PolarHBondContact O-N 3.3Å; F260-G262 VanDerWaalsContact C-N 3.29Å; F260-G262 PolarHBondContact O-N 3.02Å; G262-F266 VanDerWaalsContact O-CD2 3.3Å; G262-F266 WeakPolarHBondContact O-CD2 3.32Å; G262-Y412 WeakPolarHBondContact CA-OH 3.44Å
263	I	98.8	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-46.3	172.3	-61.9	164.4	0	0	0	110	V259 F260 N265 F266 I267 F282 L303 I361 I363 A385 I408 L413	V259-I263 HydrophobicContact CG1-CD1 3.82Å; V259-I263 HydrophobicContact CG1-CG1 4.44Å; V259-I263 VanDerWaalsContact O-CG1 3.3Å; V259-I263 WeakPolarHBondContact O-CG1 3.4Å; V259-I263 PolarHBondContact O-N 3.37Å; F260-I263 PolarHBondContact O-N 3.5Å; I263-N265 VanDerWaalsContact C-N 3.29Å; I263-N265 PolarHBondContact O-N 3Å; I263-F266 PolarHBondContact O-N 2.75Å; I263-F266 VanDerWaalsContact O-N 3.14Å; I263-I267 HydrophobicContact CG2-CB 4.23Å; I263-I267 HydrophobicContact CG2-CD1 4.02Å; I263-I267 HydrophobicContact CG2-CG2 4.47Å; I263-I267 VanDerWaalsContact O-CB 3.25Å; I263-I267 WeakPolarHBondContact O-CB 3Å; I263-I267 WeakPolarHBondContact O-CG2 3.48Å; I263-I267 PolarHBondContact O-N 2.79Å; I263-F282 HydrophobicContact CB-CE1 4.27Å; I263-F282 HydrophobicContact CB-CZ 4.31Å; I263-F282 HydrophobicContact CG2-CE1 3.59Å; I263-F282 HydrophobicContact CG2-CZ 4Å; I263-L303 HydrophobicContact CD1-CD1 4.18Å; I263-L303 HydrophobicContact CD1-CD2 4.18Å; I263-I361 HydrophobicContact CD1-CG2 4.44Å; I263-I361 HydrophobicContact CG2-CD1 4.28Å; I263-I363 HydrophobicContact CD1-CD1 4.33Å; I263-A385 HydrophobicContact CD1-CB 3.7Å; I263-A385 HydrophobicContact CG1-CB 3.81Å; I263-I408 HydrophobicContact CG1-CD1 4.32Å; I263-L413 HydrophobicContact CG1-CD1 4.38Å
264	E	98.7	Very high	98.1	Very high	50 Å²	50	26 Å²	26	23%	0.234	15%	0.146	C	C	.	.	H	α-helix	trans	-53.3	-43.8	-179.2	-179.4	176.8	-131.8	0	0	112.5	F260 H261 F266 N268 F282	F260-E264 HydrophobicContact CZ-CB 4.49Å; F260-E264 WeakPolarHBondContact O-CB 3.28Å; F260-E264 PolarHBondContact O-N 3.13Å; H261-E264 IonicContact CE1-OE2 3.5Å; H261-E264 IonicContact CG-OE2 2.75Å; H261-E264 IonicContact ND1-OE2 2.7Å; H261-E264 PolarHBondContact ND1-OE2 2.78Å; H261-E264 WeakPolarHBondContact O-CB 3.42Å; H261-E264 PolarHBondContact O-N 3.03Å; E264-F266 PolarHBondContact O-N 3.24Å; E264-N268 WeakPolarHBondContact CG-ND2 3.03Å; E264-N268 WeakPolarHBondContact O-CB 3.36Å; E264-N268 PolarHBondContact O-N 3.01Å; E264-N268 PolarHBondContact O-ND2 3.49Å; E264-N268 VanDerWaalsContact O-ND2 3.1Å; E264-F282 HydrophobicContact CB-CE2 3.68Å; E264-F282 HydrophobicContact CB-CZ 3.78Å; E264-F282 HydrophobicContact CG-CE2 3.93Å
265	N	98.7	Very high	98	Very high	33 Å²	33	32.2 Å²	32.2	18%	0.176	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-40	-179.6	-83.2	-78.4	0	0	0	112.7	H261 I263 E498 A501 M505	H261-N265 PolarHBondContact O-N 2.83Å; H261-N265 PolarHBondContact O-ND2 3.33Å; I263-N265 VanDerWaalsContact C-N 3.29Å; I263-N265 PolarHBondContact O-N 3Å; N265-E498 WeakPolarHBondContact OD1-CA 3.49Å; N265-A501 HydrophobicContact CB-CB 3.62Å; N265-M505 HydrophobicContact CB-CE 4.46Å; N265-M505 WeakPolarHBondContact O-CE 3.45Å
266	F	98.5	Very high	97.9	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-85.7	-34.1	-180	-71.1	-80.5	0	0	0	112.9	G262 I263 E264 N268 D269 F272 L406 I408 Y412 A501 I504 M505 L517	G262-F266 VanDerWaalsContact O-CD2 3.3Å; G262-F266 WeakPolarHBondContact O-CD2 3.32Å; I263-F266 PolarHBondContact O-N 2.75Å; I263-F266 VanDerWaalsContact O-N 3.14Å; E264-F266 PolarHBondContact O-N 3.24Å; F266-N268 VanDerWaalsContact C-N 3.28Å; F266-N268 PolarHBondContact O-N 2.95Å; F266-D269 PolarHBondContact O-N 3.2Å; F266-F272 HydrophobicContact CD1-CD2 4.09Å; F266-F272 HydrophobicContact CD1-CE2 4.12Å; F266-F272 HydrophobicContact CD1-CG 4.31Å; F266-F272 HydrophobicContact CD1-CZ 4.36Å; F266-F272 HydrophobicContact CE1-CE2 4.24Å; F266-F272 HydrophobicContact CE1-CZ 4.23Å; F266-L406 HydrophobicContact CB-CD2 4.16Å; F266-I408 HydrophobicContact CB-CD1 4.1Å; F266-I408 HydrophobicContact CD2-CD1 4.1Å; F266-I408 HydrophobicContact CD2-CG1 4.36Å; F266-I408 HydrophobicContact CD2-CG2 4.1Å; F266-I408 HydrophobicContact CE2-CG2 4.13Å; F266-I408 HydrophobicContact CG-CD1 4.37Å; F266-Y412 HydrophobicContact CD2-CE1 4.35Å; F266-Y412 HydrophobicContact CE2-CD1 4.18Å; F266-Y412 AromaticContact CE2-CE1 3.67Å; F266-Y412 HydrophobicContact CE2-CE1 3.67Å; F266-A501 HydrophobicContact CE2-CB 4.11Å; F266-A501 HydrophobicContact CZ-CB 4.32Å; F266-I504 HydrophobicContact CZ-CG2 4.23Å; F266-M505 HydrophobicContact CD1-CE 3.42Å; F266-M505 VanDerWaalsContact CD1-CE 3.42Å; F266-M505 HydrophobicContact CD1-CG 4.37Å; F266-M505 HydrophobicContact CD2-CE 4.4Å; F266-M505 HydrophobicContact CE1-CE 3.5Å; F266-M505 HydrophobicContact CE1-CG 3.65Å; F266-M505 HydrophobicContact CE1-SD 4.45Å; F266-M505 HydrophobicContact CE2-CE 4.46Å; F266-M505 HydrophobicContact CG-CE 3.9Å; F266-M505 HydrophobicContact CZ-CE 4.03Å; F266-M505 HydrophobicContact CZ-CG 4.23Å; F266-L517 HydrophobicContact CD1-CD1 3.8Å; F266-L517 HydrophobicContact CD2-CD1 4.46Å; F266-L517 HydrophobicContact CE1-CD1 3.42Å; F266-L517 VanDerWaalsContact CE1-CD1 3.42Å; F266-L517 HydrophobicContact CE1-CD2 3.86Å; F266-L517 HydrophobicContact CE1-CG 4.3Å; F266-L517 HydrophobicContact CE2-CD1 4.16Å; F266-L517 HydrophobicContact CG-CD1 4.32Å; F266-L517 HydrophobicContact CZ-CD1 3.64Å; F266-L517 HydrophobicContact CZ-CD2 4.38Å
267	I	98.3	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.9	-22.9	-177.5	-148.7	169.2	0	0	0	112.7	I263 M273 P280 G281 F282 K285 I361 I383	I263-I267 HydrophobicContact CG2-CB 4.23Å; I263-I267 HydrophobicContact CG2-CD1 4.02Å; I263-I267 HydrophobicContact CG2-CG2 4.47Å; I263-I267 VanDerWaalsContact O-CB 3.25Å; I263-I267 WeakPolarHBondContact O-CB 3Å; I263-I267 WeakPolarHBondContact O-CG2 3.48Å; I263-I267 PolarHBondContact O-N 2.79Å; I267-M273 HydrophobicContact CB-SD 4.35Å; I267-M273 HydrophobicContact CG1-CE 4.48Å; I267-M273 HydrophobicContact CG1-SD 3.7Å; I267-M273 WeakPolarHBondContact O-CG 3.41Å; I267-P280 WeakPolarHBondContact O-CA 3.3Å; I267-G281 WeakPolarHBondContact CD1-O 3.49Å; I267-G281 PolarHBondContact O-N 3.45Å; I267-G281 VanDerWaalsContact O-N 3.13Å; I267-F282 HydrophobicContact CD1-CD1 3.99Å; I267-F282 HydrophobicContact CD1-CE1 4.03Å; I267-F282 HydrophobicContact CG2-CD1 4.37Å; I267-F282 HydrophobicContact CG2-CD2 4.42Å; I267-F282 HydrophobicContact CG2-CE1 4.01Å; I267-F282 HydrophobicContact CG2-CE2 4.07Å; I267-F282 HydrophobicContact CG2-CZ 3.87Å; I267-K285 HydrophobicContact CD1-CD 3.39Å; I267-K285 HydrophobicContact CG1-CD 4.15Å; I267-I361 HydrophobicContact CD1-CD1 3.79Å; I267-I383 HydrophobicContact CD1-CD1 4.22Å; I267-I383 HydrophobicContact CG1-CD1 4.15Å
268	N	98.2	Very high	97.8	Very high	85 Å²	85	34 Å²	34	46%	0.455	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.3	173.6	-69.7	-32.5	0	0	0	112.6	E264 F266 A270 G281	E264-N268 WeakPolarHBondContact CG-ND2 3.03Å; E264-N268 WeakPolarHBondContact O-CB 3.36Å; E264-N268 PolarHBondContact O-N 3.01Å; E264-N268 PolarHBondContact O-ND2 3.49Å; E264-N268 VanDerWaalsContact O-ND2 3.1Å; F266-N268 VanDerWaalsContact C-N 3.28Å; F266-N268 PolarHBondContact O-N 2.95Å; N268-A270 PolarHBondContact O-N 3.1Å; N268-G281 WeakPolarHBondContact OD1-CA 3.48Å; N268-G281 PolarHBondContact OD1-N 3.43Å
269	D	97.9	Very high	97.7	Very high	48 Å²	48	37.1 Å²	37.1	26%	0.257	22%	0.222	S	C	.	.			trans	-85	108.8	176.1	-170.4	-61.7	0	0	0	110.5	F266 S271 F272 M273 M505	F266-D269 PolarHBondContact O-N 3.2Å; D269-S271 PolarHBondContact O-N 3.33Å; D269-S271 WeakPolarHBondContact OD1-CA 3.3Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 3.25Å; D269-S271 PolarHBondContact OD1-N 3.48Å; D269-S271 PolarHBondContact OD1-OG 3.43Å; D269-F272 HydrophobicContact CB-CD2 3.98Å; D269-F272 PolarHBondContact O-N 2.86Å; D269-F272 PolarHBondContact OD1-N 2.9Å; D269-M273 WeakPolarHBondContact O-CG 3.5Å; D269-M273 PolarHBondContact O-N 2.85Å; D269-M505 HydrophobicContact CB-CE 4.43Å
270	A	96.8	Very high	97.7	Very high	48 Å²	48	40.3 Å²	40.3	40%	0.397	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-28.6	-178.5	0	0	0	0	0	113.3	N268 N274 P280	N268-A270 PolarHBondContact O-N 3.1Å; A270-N274 VanDerWaalsContact O-CB 3.22Å; A270-N274 WeakPolarHBondContact O-CB 3.37Å; A270-N274 PolarHBondContact O-N 2.72Å; A270-N274 PolarHBondContact O-ND2 3.32Å; A270-N274 VanDerWaalsContact O-ND2 3.12Å; A270-P280 HydrophobicContact CB-CG 4.2Å
271	S	96.3	Very high	97.6	Very high	64 Å²	64	41 Å²	41	45%	0.448	25%	0.25	S	S	.	.	H	α-helix	trans	-69.4	-39.4	-179.5	78.9	0	0	0	0	111.9	D269 R275	D269-S271 PolarHBondContact O-N 3.33Å; D269-S271 WeakPolarHBondContact OD1-CA 3.3Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 3.25Å; D269-S271 PolarHBondContact OD1-N 3.48Å; D269-S271 PolarHBondContact OD1-OG 3.43Å; S271-R275 WeakPolarHBondContact O-CG 3.47Å
272	F	97.4	Very high	97.5	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-73.5	-43.5	174.2	-74.9	-79.7	0	0	0	111.5	F266 D269 N274 R275 V276 L406 M505 L515 L517	F266-F272 HydrophobicContact CD1-CD2 4.09Å; F266-F272 HydrophobicContact CD1-CE2 4.12Å; F266-F272 HydrophobicContact CD1-CG 4.31Å; F266-F272 HydrophobicContact CD1-CZ 4.36Å; F266-F272 HydrophobicContact CE1-CE2 4.24Å; F266-F272 HydrophobicContact CE1-CZ 4.23Å; D269-F272 HydrophobicContact CB-CD2 3.98Å; D269-F272 PolarHBondContact O-N 2.86Å; D269-F272 PolarHBondContact OD1-N 2.9Å; F272-N274 PolarHBondContact O-N 3.18Å; F272-R275 WeakPolarHBondContact O-CB 3.44Å; F272-R275 PolarHBondContact O-N 3.29Å; F272-R275 VanDerWaalsContact O-N 3.16Å; F272-V276 PolarHBondContact O-N 2.94Å; F272-L406 HydrophobicContact CB-CD2 4.44Å; F272-L406 HydrophobicContact CD1-CD1 3.97Å; F272-L406 HydrophobicContact CE1-CD1 4.47Å; F272-M505 HydrophobicContact CE2-CB 4.45Å; F272-M505 HydrophobicContact CE2-CE 4.48Å; F272-M505 HydrophobicContact CE2-CG 3.82Å; F272-M505 HydrophobicContact CZ-CG 4.28Å; F272-L515 HydrophobicContact CD1-CD2 3.79Å; F272-L515 HydrophobicContact CE1-CD2 4.27Å; F272-L517 HydrophobicContact CE1-CD2 3.76Å; F272-L517 HydrophobicContact CZ-CD2 3.97Å
273	M	97.8	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-40.9	-178.7	-69.5	-56.9	97.1	0	0	113	I267 D269 R275 V276 G277 L278 P280 I383 L406	I267-M273 HydrophobicContact CB-SD 4.35Å; I267-M273 HydrophobicContact CG1-CE 4.48Å; I267-M273 HydrophobicContact CG1-SD 3.7Å; I267-M273 WeakPolarHBondContact O-CG 3.41Å; D269-M273 WeakPolarHBondContact O-CG 3.5Å; D269-M273 PolarHBondContact O-N 2.85Å; M273-R275 VanDerWaalsContact C-N 3.29Å; M273-R275 PolarHBondContact O-N 2.74Å; M273-V276 HydrophobicContact CE-CG2 4.04Å; M273-V276 WeakPolarHBondContact O-CG2 3.49Å; M273-V276 PolarHBondContact O-N 3.38Å; M273-V276 HydrophobicContact SD-CG2 4.39Å; M273-G277 PolarHBondContact O-N 3.47Å; M273-L278 CarbonylContact C-O 3.34Å; M273-L278 WeakPolarHBondContact CB-O 3.28Å; M273-L278 PolarHBondContact O-N 3.1Å; M273-L278 HydrophobicContact SD-CB 4.13Å; M273-P280 HydrophobicContact CB-CG 4.25Å; M273-P280 HydrophobicContact CG-CG 4.41Å; M273-I383 HydrophobicContact CE-CD1 3.8Å; M273-I383 HydrophobicContact SD-CD1 4.11Å; M273-L406 HydrophobicContact CE-CD2 3.87Å
274	N	96.6	Very high	96.9	Very high	121 Å²	121	52.3 Å²	52.3	65%	0.647	31%	0.307	S	S	*	.	H	α-helix	trans	-61.9	-35.8	174.4	-72.5	-20.2	0	0	0	112.6	A270 F272 G277	A270-N274 VanDerWaalsContact O-CB 3.22Å; A270-N274 WeakPolarHBondContact O-CB 3.37Å; A270-N274 PolarHBondContact O-N 2.72Å; A270-N274 PolarHBondContact O-ND2 3.32Å; A270-N274 VanDerWaalsContact O-ND2 3.12Å; F272-N274 PolarHBondContact O-N 3.18Å; N274-G277 PolarHBondContact O-N 3.3Å
275	R	95.6	Very high	96.8	Very high	133 Å²	133	50.6 Å²	50.6	50%	0.502	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-34.8	178.7	-75.2	177.4	177.4	-174.9	1	113.1	S271 F272 M273 G514 L515	S271-R275 WeakPolarHBondContact O-CG 3.47Å; F272-R275 WeakPolarHBondContact O-CB 3.44Å; F272-R275 PolarHBondContact O-N 3.29Å; F272-R275 VanDerWaalsContact O-N 3.16Å; M273-R275 VanDerWaalsContact C-N 3.29Å; M273-R275 PolarHBondContact O-N 2.74Å; R275-G514 VanDerWaalsContact NH1-C 3.27Å; R275-G514 VanDerWaalsContact NH1-CA 3.33Å; R275-G514 PolarHBondContact NH1-O 2.9Å; R275-L515 HydrophobicContact CB-CD2 4.09Å
276	V	96.8	Very high	96.8	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-91.8	-2.5	178.6	-56.5	0	0	0	0	113.4	F272 M273 L278 K382 N404 L406 L515	F272-V276 PolarHBondContact O-N 2.94Å; M273-V276 HydrophobicContact CE-CG2 4.04Å; M273-V276 WeakPolarHBondContact O-CG2 3.49Å; M273-V276 PolarHBondContact O-N 3.38Å; M273-V276 HydrophobicContact SD-CG2 4.39Å; V276-L278 HydrophobicContact CG2-CB 4.07Å; V276-L278 HydrophobicContact CG2-CD1 4.14Å; V276-L278 HydrophobicContact CG2-CG 4.06Å; V276-K382 HydrophobicContact CB-CB 4.32Å; V276-N404 WeakPolarHBondContact CG1-O 3.46Å; V276-L406 HydrophobicContact CG1-CB 3.7Å; V276-L515 HydrophobicContact CG1-CD1 4.12Å
277	G	96.6	Very high	96.9	Very high	64 Å²	64	50.2 Å²	50.2	66%	0.66	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	32.9	178.2	0	0	0	0	0	114	M273 N274	M273-G277 PolarHBondContact O-N 3.47Å; N274-G277 PolarHBondContact O-N 3.3Å
278	L	96.8	Very high	96.9	Very high	24 Å²	24	50.2 Å²	50.2	13%	0.126	30%	0.298	C	S	.	.			trans	-117.6	154.1	177.6	-69.7	-177	0	0	0	111.2	M273 V276 D360 K382 I383	M273-L278 CarbonylContact C-O 3.34Å; M273-L278 WeakPolarHBondContact CB-O 3.28Å; M273-L278 PolarHBondContact O-N 3.1Å; M273-L278 HydrophobicContact SD-CB 4.13Å; V276-L278 HydrophobicContact CG2-CB 4.07Å; V276-L278 HydrophobicContact CG2-CD1 4.14Å; V276-L278 HydrophobicContact CG2-CG 4.06Å; L278-D360 HydrophobicContact CD1-CB 4.37Å; L278-D360 WeakPolarHBondContact CD2-OD1 3.37Å; L278-K382 HydrophobicContact CD1-CB 3.7Å; L278-K382 HydrophobicContact CD1-CG 4.23Å; L278-K382 HydrophobicContact CD2-CG 4.23Å; L278-K382 HydrophobicContact CG-CB 4.09Å; L278-K382 HydrophobicContact CG-CG 4.16Å; L278-I383 HydrophobicContact CD1-CD1 3.98Å; L278-I383 HydrophobicContact CD1-CG1 4.14Å
279	A	97.1	Very high	96.9	Very high	67 Å²	67	46.2 Å²	46.2	55%	0.554	28%	0.276	S	S	*	.			trans	-79.1	148.9	167.9	0	0	0	0	0	111.1	K285	A279-K285 WeakPolarHBondContact O-CE 3.42Å; A279-K285 PolarHBondContact O-NZ 3.41Å
280	P	97.9	Very high	96.9	Very high	67 Å²	67	45 Å²	45	44%	0.435	27%	0.269	S	S	.	.	S	Bend	trans	-63.2	155.3	173.5	-23.6	34.7	0	0	0	114.6	I267 A270 M273	I267-P280 WeakPolarHBondContact O-CA 3.3Å; A270-P280 HydrophobicContact CB-CG 4.2Å; M273-P280 HydrophobicContact CB-CG 4.25Å; M273-P280 HydrophobicContact CG-CG 4.41Å
281	G	97.5	Very high	96.9	Very high	17 Å²	17	43 Å²	43	18%	0.175	25%	0.253	C	S	.	.	S	Bend	trans	97.6	176.3	176.9	0	0	0	0	0	114.4	I267 N268 K285	I267-G281 WeakPolarHBondContact CD1-O 3.49Å; I267-G281 PolarHBondContact O-N 3.45Å; I267-G281 VanDerWaalsContact O-N 3.13Å; N268-G281 WeakPolarHBondContact OD1-CA 3.48Å; N268-G281 PolarHBondContact OD1-N 3.43Å; G281-K285 VanDerWaalsContact O-CD 3.27Å; G281-K285 WeakPolarHBondContact O-CD 3.49Å; G281-K285 WeakPolarHBondContact O-CE 3.46Å
282	F	97.7	Very high	96.9	Very high	14 Å²	14	40.2 Å²	40.2	6%	0.061	23%	0.232	C	C	.	.	S	Bend	trans	-98.5	-23.5	179.9	-75	-68.8	0	0	0	114.3	F260 I263 E264 I267 D284 K285 L303 F306 A308	F260-F282 HydrophobicContact CD2-CE2 4.22Å; F260-F282 HydrophobicContact CD2-CZ 4.02Å; F260-F282 HydrophobicContact CE2-CD2 4.15Å; F260-F282 AromaticContact CE2-CE2 3.49Å; F260-F282 HydrophobicContact CE2-CE2 3.49Å; F260-F282 VanDerWaalsContact CE2-CE2 3.49Å; F260-F282 AromaticContact CE2-CZ 3.77Å; F260-F282 HydrophobicContact CE2-CZ 3.77Å; F260-F282 HydrophobicContact CZ-CE2 4.09Å; I263-F282 HydrophobicContact CB-CE1 4.27Å; I263-F282 HydrophobicContact CB-CZ 4.31Å; I263-F282 HydrophobicContact CG2-CE1 3.59Å; I263-F282 HydrophobicContact CG2-CZ 4Å; E264-F282 HydrophobicContact CB-CE2 3.68Å; E264-F282 HydrophobicContact CB-CZ 3.78Å; E264-F282 HydrophobicContact CG-CE2 3.93Å; I267-F282 HydrophobicContact CD1-CD1 3.99Å; I267-F282 HydrophobicContact CD1-CE1 4.03Å; I267-F282 HydrophobicContact CG2-CD1 4.37Å; I267-F282 HydrophobicContact CG2-CD2 4.42Å; I267-F282 HydrophobicContact CG2-CE1 4.01Å; I267-F282 HydrophobicContact CG2-CE2 4.07Å; I267-F282 HydrophobicContact CG2-CZ 3.87Å; F282-D284 PolarHBondContact O-N 2.96Å; F282-K285 WeakPolarHBondContact O-CB 3.31Å; F282-K285 PolarHBondContact O-N 2.97Å; F282-K285 VanDerWaalsContact O-N 3.15Å; F282-L303 HydrophobicContact CD1-CD2 3.85Å; F282-L303 HydrophobicContact CE1-CD2 3.32Å; F282-L303 HydrophobicContact CZ-CD2 4.02Å; F282-F306 VanDerWaalsContact CB-O 3.26Å; F282-F306 WeakPolarHBondContact CB-O 3.46Å; F282-F306 HydrophobicContact CD2-CB 4.19Å; F282-A308 HydrophobicContact CB-CB 4.34Å; F282-A308 HydrophobicContact CD1-CB 4.33Å
283	Q	95	Very high	96.7	Very high	127 Å²	127	41.5 Å²	41.5	59%	0.593	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	131.5	-173.2	-169.7	58.7	40.8	0	0	110.6	K285	Q283-K285 PolarHBondContact O-N 3.22Å
284	D	88.5	Confident	96.5	Very high	120 Å²	120	45.5 Å²	45.5	64%	0.642	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	0.3	178.1	-50.3	-34.4	0	0	0	116.2	F282 G307	F282-D284 PolarHBondContact O-N 2.96Å; D284-G307 PolarHBondContact N-O 2.98Å
285	K	98.1	Very high	96.5	Very high	14 Å²	14	41.2 Å²	41.2	6%	0.061	25%	0.248	C	C	.	.			trans	-73.2	141.7	173.5	-66.1	-171	-174	-60.1	0	111.5	I267 A279 G281 F282 Q283 A308 R309 D360 I361	I267-K285 HydrophobicContact CD1-CD 3.39Å; I267-K285 HydrophobicContact CG1-CD 4.15Å; A279-K285 WeakPolarHBondContact O-CE 3.42Å; A279-K285 PolarHBondContact O-NZ 3.41Å; G281-K285 VanDerWaalsContact O-CD 3.27Å; G281-K285 WeakPolarHBondContact O-CD 3.49Å; G281-K285 WeakPolarHBondContact O-CE 3.46Å; F282-K285 WeakPolarHBondContact O-CB 3.31Å; F282-K285 PolarHBondContact O-N 2.97Å; F282-K285 VanDerWaalsContact O-N 3.15Å; Q283-K285 PolarHBondContact O-N 3.22Å; K285-A308 CarbonylContact O-C 3.58Å; K285-A308 WeakPolarHBondContact O-CA 3.49Å; K285-R309 PolarHBondContact O-N 3.12Å; K285-D360 WeakPolarHBondContact CA-OD2 3.36Å; K285-D360 HydrophobicContact CB-CB 4.32Å; K285-I361 HydrophobicContact CD-CD1 4.44Å
286	T	98.6	Very high	96.6	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.5	178.6	58.1	0	0	0	0	110.9	R309 V311 C359 D360 I361	T286-R309 CarbonylContact C-O 3.56Å; T286-R309 WeakPolarHBondContact CA-O 3.15Å; T286-V311 HydrophobicContact CG2-CG1 3.78Å; T286-C359 WeakPolarHBondContact OG1-CA 3.49Å; T286-D360 PolarHBondContact N-OD2 3.49Å; T286-D360 WeakPolarHBondContact O-CB 3.32Å; T286-D360 PolarHBondContact O-N 2.98Å; T286-D360 PolarHBondContact OG1-N 3.25Å; T286-D360 VanDerWaalsContact OG1-N 3.16Å; T286-D360 PolarHBondContact OG1-OD2 3.36Å; T286-I361 PolarHBondContact O-N 3.48Å; T286-I361 VanDerWaalsContact O-N 3.08Å
287	F	98.8	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.4	177.7	69.8	-92.8	0	0	0	113.5	I289 M300 L303 A308 R309 C310 V311 I361 I363	F287-I289 HydrophobicContact CD2-CD1 4Å; F287-I289 HydrophobicContact CD2-CG1 3.87Å; F287-I289 HydrophobicContact CE2-CD1 3.52Å; F287-I289 HydrophobicContact CE2-CG1 3.92Å; F287-M300 HydrophobicContact CE2-CB 4.43Å; F287-M300 HydrophobicContact CE2-CG 3.98Å; F287-M300 HydrophobicContact CZ-CG 4.06Å; F287-L303 HydrophobicContact CD1-CB 4.19Å; F287-L303 HydrophobicContact CD1-CD1 4.21Å; F287-L303 HydrophobicContact CD2-CD1 4.1Å; F287-L303 HydrophobicContact CE1-CB 3.58Å; F287-L303 HydrophobicContact CE1-CD1 4.26Å; F287-L303 HydrophobicContact CE2-CB 4.46Å; F287-L303 HydrophobicContact CE2-CD1 4.18Å; F287-L303 HydrophobicContact CG-CD1 4.11Å; F287-L303 HydrophobicContact CZ-CB 3.72Å; F287-L303 HydrophobicContact CZ-CD1 4.23Å; F287-A308 HydrophobicContact CD1-CB 3.8Å; F287-A308 HydrophobicContact CE1-CB 3.86Å; F287-R309 VanDerWaalsContact CD1-C 3.49Å; F287-R309 WeakPolarHBondContact CD1-O 3.31Å; F287-R309 VanDerWaalsContact CE1-C 3.41Å; F287-R309 PolarHBondContact N-O 3.49Å; F287-C310 HydrophobicContact CD2-CB 4.19Å; F287-C310 HydrophobicContact CE1-CB 4.01Å; F287-C310 VanDerWaalsContact CE1-N 3.27Å; F287-C310 HydrophobicContact CE2-CB 3.44Å; F287-C310 VanDerWaalsContact CE2-CB 3.44Å; F287-C310 HydrophobicContact CZ-CB 3.36Å; F287-C310 WeakPolarHBondContact O-CA 3.35Å; F287-V311 VanDerWaalsContact O-CG2 3.28Å; F287-V311 WeakPolarHBondContact O-CG2 3.26Å; F287-V311 PolarHBondContact O-N 3.12Å; F287-I361 CarbonylContact C-O 3.51Å; F287-I361 WeakPolarHBondContact CA-O 3.5Å; F287-I361 HydrophobicContact CB-CB 3.87Å; F287-I361 VanDerWaalsContact CB-O 3.32Å; F287-I361 WeakPolarHBondContact CB-O 3.5Å; F287-I363 HydrophobicContact CB-CD1 4.49Å; F287-I363 HydrophobicContact CD2-CD1 4.04Å; F287-I363 HydrophobicContact CG-CD1 4.49Å
288	I	98.7	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.8	176.3	-69.6	177.4	0	0	0	109.3	V311 G312 W321 L354 A357 C359 I361 L362 I363	I288-V311 HydrophobicContact CG1-CG2 3.89Å; I288-G312 WeakPolarHBondContact CA-O 3.01Å; I288-W321 HydrophobicContact CD1-CZ3 3.84Å; I288-W321 HydrophobicContact CG1-CZ3 4.02Å; I288-L354 HydrophobicContact CD1-CD1 4.42Å; I288-L354 HydrophobicContact CD1-CG 4.36Å; I288-L354 HydrophobicContact CG2-CD2 3.71Å; I288-L354 HydrophobicContact CG2-CG 3.73Å; I288-A357 HydrophobicContact CD1-CB 3.55Å; I288-C359 HydrophobicContact CD1-CB 3.89Å; I288-C359 HydrophobicContact CG1-CB 3.82Å; I288-I361 PolarHBondContact N-O 3Å; I288-L362 HydrophobicContact CB-CD1 4.05Å; I288-L362 HydrophobicContact CG2-CD1 3.84Å; I288-I363 WeakPolarHBondContact O-CB 3.3Å; I288-I363 PolarHBondContact O-N 2.8Å
289	I	98.3	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.7	176.3	-66.6	174.4	0	0	0	110	F287 G291 G296 M300 G312 V313 A314 I363	F287-I289 HydrophobicContact CD2-CD1 4Å; F287-I289 HydrophobicContact CD2-CG1 3.87Å; F287-I289 HydrophobicContact CE2-CD1 3.52Å; F287-I289 HydrophobicContact CE2-CG1 3.92Å; I289-G291 VanDerWaalsContact CG2-O 3.27Å; I289-G291 WeakPolarHBondContact CG2-O 3.47Å; I289-G296 WeakPolarHBondContact CD1-O 3.42Å; I289-M300 HydrophobicContact CD1-CB 3.41Å; I289-M300 VanDerWaalsContact CD1-CB 3.41Å; I289-M300 HydrophobicContact CD1-CG 3.9Å; I289-G312 PolarHBondContact N-O 2.85Å; I289-V313 CarbonylContact O-C 3.53Å; I289-V313 WeakPolarHBondContact O-CA 3.2Å; I289-A314 PolarHBondContact O-N 3.43Å; I289-I363 HydrophobicContact CD1-CD1 4.45Å; I289-I363 HydrophobicContact CG1-CB 4Å; I289-I363 HydrophobicContact CG1-CD1 4.01Å; I289-I363 HydrophobicContact CG1-CG1 4.4Å; I289-I363 HydrophobicContact CG1-CG2 4.47Å
290	Q	98	Very high	96.9	Very high	23 Å²	23	28.9 Å²	28.9	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122	165.5	-176.1	-155.9	24	0	0	109.4	A314 L355 I363 A365 A366	Q290-A314 HydrophobicContact CB-CB 4.47Å; Q290-A314 HydrophobicContact CG-CB 4.29Å; Q290-L355 HydrophobicContact CB-CD2 3.72Å; Q290-L355 HydrophobicContact CG-CD2 4.07Å; Q290-I363 PolarHBondContact N-O 2.89Å; Q290-A365 CarbonylContact O-C 3.57Å; Q290-A365 WeakPolarHBondContact O-CA 3.22Å; Q290-A365 VanDerWaalsContact O-CB 3.31Å; Q290-A365 WeakPolarHBondContact O-CB 3.44Å; Q290-A365 PolarHBondContact O-N 2.97Å; Q290-A366 HydrophobicContact CG-CB 4.08Å; Q290-A366 PolarHBondContact O-N 2.87Å
291	G	96.3	Very high	96.9	Very high	5 Å²	5	29.6 Å²	29.6	5%	0.052	16%	0.161	C	C	.	.			trans	89.4	117.2	-176.1	0	0	0	0	0	111.3	I289 G296 A314	I289-G291 VanDerWaalsContact CG2-O 3.27Å; I289-G291 WeakPolarHBondContact CG2-O 3.47Å; G291-G296 WeakPolarHBondContact O-CA 3.34Å; G291-A314 WeakPolarHBondContact CA-O 3.42Å; G291-A314 PolarHBondContact N-O 3.05Å
292	F	96.7	Very high	97	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.026	16%	0.155	C	C	.	.			trans	-108.5	40.2	179.7	-165	-118.6	0	0	0	111.1	L297 M300 V313 E315 L331 K335 I341	F292-L297 HydrophobicContact CD2-CB 4.22Å; F292-L297 HydrophobicContact CE1-CD1 4.26Å; F292-L297 HydrophobicContact CE2-CB 4.02Å; F292-L297 HydrophobicContact CE2-CD1 3.67Å; F292-L297 HydrophobicContact CE2-CG 4.45Å; F292-L297 HydrophobicContact CZ-CB 4.39Å; F292-L297 HydrophobicContact CZ-CD1 3.45Å; F292-L297 VanDerWaalsContact CZ-CD1 3.45Å; F292-L297 HydrophobicContact CZ-CG 4.45Å; F292-M300 HydrophobicContact CD2-SD 4.35Å; F292-M300 HydrophobicContact CE2-SD 3.61Å; F292-M300 HydrophobicContact CZ-SD 4.45Å; F292-V313 HydrophobicContact CB-CG1 3.79Å; F292-V313 HydrophobicContact CD2-CG1 3.99Å; F292-V313 HydrophobicContact CG-CG1 4.05Å; F292-E315 VanDerWaalsContact C-OE1 3.3Å; F292-E315 WeakPolarHBondContact CA-OE1 3.43Å; F292-E315 HydrophobicContact CB-CG 3.98Å; F292-E315 WeakPolarHBondContact CB-OE1 3.32Å; F292-E315 PolarHBondContact N-OE1 3.03Å; F292-L331 HydrophobicContact CD1-CD2 4.32Å; F292-L331 HydrophobicContact CD1-CG 4.4Å; F292-L331 HydrophobicContact CD2-CD2 4.22Å; F292-L331 HydrophobicContact CE1-CB 4.39Å; F292-L331 HydrophobicContact CE1-CD2 3.91Å; F292-L331 HydrophobicContact CE1-CG 3.71Å; F292-L331 HydrophobicContact CE2-CD2 3.79Å; F292-L331 HydrophobicContact CE2-CG 4.37Å; F292-L331 HydrophobicContact CG-CD2 4.48Å; F292-L331 HydrophobicContact CZ-CB 4.02Å; F292-L331 HydrophobicContact CZ-CD2 3.61Å; F292-L331 HydrophobicContact CZ-CG 3.67Å; F292-K335 HydrophobicContact CD1-CD 3.52Å; F292-K335 HydrophobicContact CE1-CB 4.38Å; F292-K335 HydrophobicContact CE1-CD 4.06Å; F292-K335 PolarHBondContact O-NZ 3.45Å; F292-I341 HydrophobicContact CB-CG2 4.42Å; F292-I341 HydrophobicContact CD1-CG2 3.79Å; F292-I341 HydrophobicContact CE1-CG2 4.43Å; F292-I341 HydrophobicContact CG-CG2 4.37Å
293	G	93.8	Very high	97	Very high	37 Å²	37	28.8 Å²	28.8	38%	0.381	15%	0.152	S	C	.	.	S	Bend	trans	-87.2	-161.7	167.9	0	0	0	0	0	112.3	V295 G296 L297	G293-V295 VanDerWaalsContact C-N 3.31Å; G293-V295 PolarHBondContact O-N 3.42Å; G293-G296 PolarHBondContact O-N 3.46Å; G293-L297 VanDerWaalsContact O-CB 3.29Å; G293-L297 WeakPolarHBondContact O-CB 3.46Å; G293-L297 PolarHBondContact O-N 3.19Å
294	N	93.1	Very high	97.2	Very high	83 Å²	83	26.3 Å²	26.3	44%	0.444	14%	0.141	S	C	.	.	H	α-helix	trans	-51.1	-45	-177.1	-71.6	-17.8	0	0	0	113.5	H298	N294-H298 WeakPolarHBondContact O-CB 3.19Å; N294-H298 PolarHBondContact O-CD2 3.27Å; N294-H298 PolarHBondContact O-N 3.08Å
295	V	96.5	Very high	97.6	Very high	31 Å²	31	27.7 Å²	27.7	19%	0.188	14%	0.137	C	C	.	.	H	α-helix	trans	-69.2	-53.4	-179.2	-177.7	0	0	0	0	110.9	T255 V259 G293 T299 A365	T255-V295 HydrophobicContact CG2-CB 4.48Å; T255-V295 HydrophobicContact CG2-CG1 4.08Å; T255-V295 HydrophobicContact CG2-CG2 3.73Å; V259-V295 HydrophobicContact CG2-CG1 4.37Å; G293-V295 VanDerWaalsContact C-N 3.31Å; G293-V295 PolarHBondContact O-N 3.42Å; V295-T299 VanDerWaalsContact O-CB 3.29Å; V295-T299 WeakPolarHBondContact O-CB 3.46Å; V295-T299 PolarHBondContact O-N 2.52Å; V295-T299 PolarHBondContact O-OG1 3.37Å; V295-A365 HydrophobicContact CB-CB 4.17Å; V295-A365 HydrophobicContact CG1-CB 3.92Å
296	G	97.8	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-52	-176.7	0	0	0	0	0	113.5	I289 G291 G293 H298 T299 M300	I289-G296 WeakPolarHBondContact CD1-O 3.42Å; G291-G296 WeakPolarHBondContact O-CA 3.34Å; G293-G296 PolarHBondContact O-N 3.46Å; G296-H298 PolarHBondContact O-N 2.97Å; G296-T299 PolarHBondContact O-N 2.81Å; G296-M300 WeakPolarHBondContact O-CB 3.39Å; G296-M300 PolarHBondContact O-N 3.3Å
297	L	98.1	Very high	97.5	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-54.8	-50.4	179.7	168.1	62.8	0	0	0	111.7	F292 G293 M300 R301 E332	F292-L297 HydrophobicContact CD2-CB 4.22Å; F292-L297 HydrophobicContact CE1-CD1 4.26Å; F292-L297 HydrophobicContact CE2-CB 4.02Å; F292-L297 HydrophobicContact CE2-CD1 3.67Å; F292-L297 HydrophobicContact CE2-CG 4.45Å; F292-L297 HydrophobicContact CZ-CB 4.39Å; F292-L297 HydrophobicContact CZ-CD1 3.45Å; F292-L297 VanDerWaalsContact CZ-CD1 3.45Å; F292-L297 HydrophobicContact CZ-CG 4.45Å; G293-L297 VanDerWaalsContact O-CB 3.29Å; G293-L297 WeakPolarHBondContact O-CB 3.46Å; G293-L297 PolarHBondContact O-N 3.19Å; L297-M300 WeakPolarHBondContact O-CB 3.26Å; L297-M300 PolarHBondContact O-N 3.38Å; L297-R301 HydrophobicContact CD1-CG 4.33Å; L297-R301 WeakPolarHBondContact O-CG 3.19Å; L297-R301 PolarHBondContact O-N 3.14Å; L297-E332 HydrophobicContact CD1-CB 3.94Å; L297-E332 HydrophobicContact CD1-CG 4.23Å; L297-E332 HydrophobicContact CD2-CG 4.19Å; L297-E332 WeakPolarHBondContact CD2-OE1 3.48Å
298	H	98.4	Very high	97.4	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-70.3	-35.9	-178.1	-70	-56	0	0	0	112.2	I252 S253 N294 G296 R301 Y302	I252-H298 PolarHBondContact O-CD2 3.01Å; S253-H298 VanDerWaalsContact CA-CD2 3.41Å; S253-H298 WeakPolarHBondContact CA-CD2 3.34Å; S253-H298 WeakPolarHBondContact CB-ND1 3.44Å; N294-H298 WeakPolarHBondContact O-CB 3.19Å; N294-H298 PolarHBondContact O-CD2 3.27Å; N294-H298 PolarHBondContact O-N 3.08Å; G296-H298 PolarHBondContact O-N 2.97Å; H298-R301 PolarHBondContact CE1-NH1 2.81Å; H298-R301 PolarHBondContact ND1-NH1 2.84Å; H298-R301 PolarHBondContact O-N 3.17Å; H298-Y302 HydrophobicContact CB-CE2 4.3Å; H298-Y302 WeakPolarHBondContact O-CD2 3.19Å; H298-Y302 PolarHBondContact O-N 2.71Å; H298-Y302 VanDerWaalsContact O-N 3.08Å
299	T	98.7	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-46.8	173.1	-56.9	0	0	0	0	111	G256 V259 V295 G296 R301 Y302 L303 I363	G256-T299 VanDerWaalsContact CA-OG1 3.3Å; G256-T299 WeakPolarHBondContact CA-OG1 3.45Å; V259-T299 HydrophobicContact CB-CG2 4.09Å; V259-T299 HydrophobicContact CG1-CG2 3.5Å; V295-T299 VanDerWaalsContact O-CB 3.29Å; V295-T299 WeakPolarHBondContact O-CB 3.46Å; V295-T299 PolarHBondContact O-N 2.52Å; V295-T299 PolarHBondContact O-OG1 3.37Å; G296-T299 PolarHBondContact O-N 2.81Å; T299-R301 VanDerWaalsContact C-N 3.32Å; T299-R301 PolarHBondContact O-N 2.7Å; T299-Y302 PolarHBondContact O-N 2.9Å; T299-L303 HydrophobicContact CG2-CD1 3.79Å; T299-L303 HydrophobicContact CG2-CG 4.33Å; T299-L303 WeakPolarHBondContact O-CG 3.18Å; T299-L303 PolarHBondContact O-N 2.99Å; T299-I363 HydrophobicContact CG2-CD1 3.72Å; T299-I363 HydrophobicContact CG2-CG2 4.18Å
300	M	98.6	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-47.8	175.8	-163.5	-176.7	163.9	0	0	111.2	F287 I289 F292 G296 L297 Y302 H304 C310 V313 I326 P328 L331	F287-M300 HydrophobicContact CE2-CB 4.43Å; F287-M300 HydrophobicContact CE2-CG 3.98Å; F287-M300 HydrophobicContact CZ-CG 4.06Å; I289-M300 HydrophobicContact CD1-CB 3.41Å; I289-M300 VanDerWaalsContact CD1-CB 3.41Å; I289-M300 HydrophobicContact CD1-CG 3.9Å; F292-M300 HydrophobicContact CD2-SD 4.35Å; F292-M300 HydrophobicContact CE2-SD 3.61Å; F292-M300 HydrophobicContact CZ-SD 4.45Å; G296-M300 WeakPolarHBondContact O-CB 3.39Å; G296-M300 PolarHBondContact O-N 3.3Å; L297-M300 WeakPolarHBondContact O-CB 3.26Å; L297-M300 PolarHBondContact O-N 3.38Å; M300-Y302 PolarHBondContact O-N 2.97Å; M300-H304 WeakPolarHBondContact O-CB 3.29Å; M300-H304 PolarHBondContact O-N 3.06Å; M300-C310 HydrophobicContact CE-CB 3.63Å; M300-C310 HydrophobicContact CG-CB 3.95Å; M300-C310 HydrophobicContact SD-CB 4.39Å; M300-V313 HydrophobicContact CE-CG2 4.45Å; M300-V313 HydrophobicContact SD-CG2 4.2Å; M300-I326 HydrophobicContact CE-CB 3.87Å; M300-I326 HydrophobicContact CE-CG2 3.74Å; M300-I326 WeakPolarHBondContact CE-O 3.33Å; M300-P328 HydrophobicContact CB-CB 4.28Å; M300-P328 HydrophobicContact CE-CB 3.88Å; M300-P328 HydrophobicContact CG-CB 3.89Å; M300-P328 HydrophobicContact SD-CB 3.82Å; M300-L331 HydrophobicContact CE-CD2 4.33Å; M300-L331 HydrophobicContact SD-CD2 4.35Å
301	R	98.5	Very high	97.4	Very high	82 Å²	82	35.7 Å²	35.7	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-60.5	-42.7	180	-74.3	178	65.4	-158.2	-0.7	113	L297 H298 T299 R305 P328	L297-R301 HydrophobicContact CD1-CG 4.33Å; L297-R301 WeakPolarHBondContact O-CG 3.19Å; L297-R301 PolarHBondContact O-N 3.14Å; H298-R301 PolarHBondContact CE1-NH1 2.81Å; H298-R301 PolarHBondContact ND1-NH1 2.84Å; H298-R301 PolarHBondContact O-N 3.17Å; T299-R301 VanDerWaalsContact C-N 3.32Å; T299-R301 PolarHBondContact O-N 2.7Å; R301-R305 WeakPolarHBondContact O-CB 3.33Å; R301-R305 PolarHBondContact O-N 2.94Å; R301-R305 VanDerWaalsContact O-N 3.15Å; R301-P328 HydrophobicContact CG-CB 3.68Å; R301-P328 HydrophobicContact CG-CG 4.07Å
302	Y	98.5	Very high	97.5	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-73.9	-45.5	-179.7	-69.4	-64.7	0	0	0	111.3	S253 R257 F260 H298 T299 M300 H304 R305 F306	S253-Y302 PolarHBondContact OG-OH 3.26Å; S253-Y302 VanDerWaalsContact OG-OH 3.1Å; R257-Y302 HydrophobicContact CB-CD2 3.95Å; R257-Y302 HydrophobicContact CB-CE2 3.5Å; R257-Y302 VanDerWaalsContact CB-CE2 3.5Å; R257-Y302 HydrophobicContact CG-CE1 4.39Å; R257-Y302 HydrophobicContact CG-CE2 4.22Å; R257-Y302 VanDerWaalsContact NE-CZ 3.29Å; R257-Y302 PolarHBondContact NE-OH 3.19Å; R257-Y302 PolarHBondContact NH2-OH 2.8Å; F260-Y302 HydrophobicContact CB-CG 4.37Å; H298-Y302 HydrophobicContact CB-CE2 4.3Å; H298-Y302 WeakPolarHBondContact O-CD2 3.19Å; H298-Y302 PolarHBondContact O-N 2.71Å; H298-Y302 VanDerWaalsContact O-N 3.08Å; T299-Y302 PolarHBondContact O-N 2.9Å; M300-Y302 PolarHBondContact O-N 2.97Å; Y302-H304 PolarHBondContact O-N 3.1Å; Y302-R305 WeakPolarHBondContact O-CB 2.98Å; Y302-R305 PolarHBondContact O-N 3.39Å; Y302-F306 VanDerWaalsContact O-CD2 3.32Å; Y302-F306 WeakPolarHBondContact O-CD2 3.42Å; Y302-F306 PolarHBondContact O-N 3.4Å
303	L	98.6	Very high	97.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-43.9	176.8	-70.6	173.8	0	0	0	112.3	F260 I263 F282 F287 T299 R305 F306 G307 A308 I363	F260-L303 HydrophobicContact CD2-CD2 4.13Å; I263-L303 HydrophobicContact CD1-CD1 4.18Å; I263-L303 HydrophobicContact CD1-CD2 4.18Å; F282-L303 HydrophobicContact CD1-CD2 3.85Å; F282-L303 HydrophobicContact CE1-CD2 3.32Å; F282-L303 HydrophobicContact CZ-CD2 4.02Å; F287-L303 HydrophobicContact CD1-CB 4.19Å; F287-L303 HydrophobicContact CD1-CD1 4.21Å; F287-L303 HydrophobicContact CD2-CD1 4.1Å; F287-L303 HydrophobicContact CE1-CB 3.58Å; F287-L303 HydrophobicContact CE1-CD1 4.26Å; F287-L303 HydrophobicContact CE2-CB 4.46Å; F287-L303 HydrophobicContact CE2-CD1 4.18Å; F287-L303 HydrophobicContact CG-CD1 4.11Å; F287-L303 HydrophobicContact CZ-CB 3.72Å; F287-L303 HydrophobicContact CZ-CD1 4.23Å; T299-L303 HydrophobicContact CG2-CD1 3.79Å; T299-L303 HydrophobicContact CG2-CG 4.33Å; T299-L303 WeakPolarHBondContact O-CG 3.18Å; T299-L303 PolarHBondContact O-N 2.99Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.42Å; L303-F306 CarbonylContact O-C 3.4Å; L303-F306 PolarHBondContact O-N 3.34Å; L303-F306 VanDerWaalsContact O-N 3.14Å; L303-G307 PolarHBondContact O-N 3.4Å; L303-A308 HydrophobicContact CB-CB 4.23Å; L303-A308 PolarHBondContact O-N 3.28Å; L303-A308 VanDerWaalsContact O-N 3.15Å; L303-I363 HydrophobicContact CD1-CD1 3.27Å
304	H	98	Very high	97.7	Very high	76 Å²	76	33.9 Å²	33.9	35%	0.352	16%	0.156	S	C	.	.	H	α-helix	trans	-58.7	-42.7	175.4	-176.7	-98	0	0	0	112.5	M300 Y302 F306 G307 A308 D327 P328	M300-H304 WeakPolarHBondContact O-CB 3.29Å; M300-H304 PolarHBondContact O-N 3.06Å; Y302-H304 PolarHBondContact O-N 3.1Å; H304-F306 PolarHBondContact O-N 2.97Å; H304-G307 PolarHBondContact O-N 2.97Å; H304-A308 WeakPolarHBondContact CA-O 3.46Å; H304-D327 IonicContact CE1-OD2 2.95Å; H304-D327 PolarHBondContact CE1-OD2 3.16Å; H304-D327 IonicContact NE2-OD2 3.07Å; H304-P328 HydrophobicContact CB-CG 3.95Å
305	R	97.7	Very high	97.7	Very high	149 Å²	149	32.2 Å²	32.2	56%	0.562	15%	0.146	S	C	*	.	H	α-helix	trans	-60.4	-31	177.9	-179	-178.6	-61.4	174.6	0.3	113	R301 Y302 L303	R301-R305 WeakPolarHBondContact O-CB 3.33Å; R301-R305 PolarHBondContact O-N 2.94Å; R301-R305 VanDerWaalsContact O-N 3.15Å; Y302-R305 WeakPolarHBondContact O-CB 2.98Å; Y302-R305 PolarHBondContact O-N 3.39Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.42Å
306	F	97.3	Very high	97.3	Very high	95 Å²	95	38.8 Å²	38.8	42%	0.417	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	19.1	-178	-75.3	-95.4	0	0	0	113	F260 F282 Y302 L303 H304	F260-F306 HydrophobicContact CD2-CD2 4.24Å; F260-F306 HydrophobicContact CE1-CD2 4.2Å; F260-F306 AromaticContact CE1-CE2 3.87Å; F260-F306 HydrophobicContact CE1-CE2 3.87Å; F260-F306 HydrophobicContact CE1-CZ 4.08Å; F260-F306 HydrophobicContact CE2-CB 3.79Å; F260-F306 HydrophobicContact CE2-CD1 4.17Å; F260-F306 AromaticContact CE2-CD2 3.4Å; F260-F306 HydrophobicContact CE2-CD2 3.4Å; F260-F306 AromaticContact CE2-CE2 3.94Å; F260-F306 HydrophobicContact CE2-CE2 3.94Å; F260-F306 AromaticContact CE2-CG 3.52Å; F260-F306 HydrophobicContact CE2-CG 3.52Å; F260-F306 HydrophobicContact CZ-CB 4.31Å; F260-F306 AromaticContact CZ-CD1 3.8Å; F260-F306 HydrophobicContact CZ-CD1 3.8Å; F260-F306 AromaticContact CZ-CD2 3.39Å; F260-F306 HydrophobicContact CZ-CD2 3.39Å; F260-F306 AromaticContact CZ-CE1 3.85Å; F260-F306 HydrophobicContact CZ-CE1 3.85Å; F260-F306 AromaticContact CZ-CE2 3.45Å; F260-F306 HydrophobicContact CZ-CE2 3.45Å; F260-F306 VanDerWaalsContact CZ-CE2 3.45Å; F260-F306 AromaticContact CZ-CG 3.57Å; F260-F306 HydrophobicContact CZ-CG 3.57Å; F260-F306 AromaticContact CZ-CZ 3.68Å; F260-F306 HydrophobicContact CZ-CZ 3.68Å; F282-F306 VanDerWaalsContact CB-O 3.26Å; F282-F306 WeakPolarHBondContact CB-O 3.46Å; F282-F306 HydrophobicContact CD2-CB 4.19Å; Y302-F306 VanDerWaalsContact O-CD2 3.32Å; Y302-F306 WeakPolarHBondContact O-CD2 3.42Å; Y302-F306 PolarHBondContact O-N 3.4Å; L303-F306 CarbonylContact O-C 3.4Å; L303-F306 PolarHBondContact O-N 3.34Å; L303-F306 VanDerWaalsContact O-N 3.14Å; H304-F306 PolarHBondContact O-N 2.97Å
307	G	96.4	Very high	96.8	Very high	26 Å²	26	43.1 Å²	43.1	27%	0.268	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-0.1	167.5	0	0	0	0	0	115.8	D284 L303 H304	D284-G307 PolarHBondContact N-O 2.98Å; L303-G307 PolarHBondContact O-N 3.4Å; H304-G307 PolarHBondContact O-N 2.97Å
308	A	98.1	Very high	96.5	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	21%	0.207	C	C	.	.			trans	-80.4	148.3	171.2	0	0	0	0	0	110.6	F282 K285 F287 L303 H304	F282-A308 HydrophobicContact CB-CB 4.34Å; F282-A308 HydrophobicContact CD1-CB 4.33Å; K285-A308 CarbonylContact O-C 3.58Å; K285-A308 WeakPolarHBondContact O-CA 3.49Å; F287-A308 HydrophobicContact CD1-CB 3.8Å; F287-A308 HydrophobicContact CE1-CB 3.86Å; L303-A308 HydrophobicContact CB-CB 4.23Å; L303-A308 PolarHBondContact O-N 3.28Å; L303-A308 VanDerWaalsContact O-N 3.15Å; H304-A308 WeakPolarHBondContact CA-O 3.46Å
309	R	98.1	Very high	96.4	Very high	106 Å²	106	43.8 Å²	43.8	40%	0.4	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.5	-173.3	-176.7	169.1	55	179.4	-1.8	111.7	K285 T286 F287 V311 P323 R324 G325	K285-R309 PolarHBondContact O-N 3.12Å; T286-R309 CarbonylContact C-O 3.56Å; T286-R309 WeakPolarHBondContact CA-O 3.15Å; F287-R309 VanDerWaalsContact CD1-C 3.49Å; F287-R309 WeakPolarHBondContact CD1-O 3.31Å; F287-R309 VanDerWaalsContact CE1-C 3.41Å; F287-R309 PolarHBondContact N-O 3.49Å; R309-V311 HydrophobicContact CG-CG1 4.1Å; R309-V311 PolarHBondContact O-N 2.85Å; R309-P323 PolarHBondContact NH1-O 3.45Å; R309-R324 VanDerWaalsContact CD-O 3.29Å; R309-R324 WeakPolarHBondContact CD-O 3.36Å; R309-G325 VanDerWaalsContact CG-CA 3.48Å
310	C	98.4	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.6	172.5	-171.2	0	0	0	0	108.9	F287 M300 G325 I326	F287-C310 HydrophobicContact CD2-CB 4.19Å; F287-C310 HydrophobicContact CE1-CB 4.01Å; F287-C310 VanDerWaalsContact CE1-N 3.27Å; F287-C310 HydrophobicContact CE2-CB 3.44Å; F287-C310 VanDerWaalsContact CE2-CB 3.44Å; F287-C310 HydrophobicContact CZ-CB 3.36Å; F287-C310 WeakPolarHBondContact O-CA 3.35Å; M300-C310 HydrophobicContact CE-CB 3.63Å; M300-C310 HydrophobicContact CG-CB 3.95Å; M300-C310 HydrophobicContact SD-CB 4.39Å; C310-G325 CarbonylContact O-C 3.52Å; C310-G325 VanDerWaalsContact O-CA 3.23Å; C310-G325 WeakPolarHBondContact O-CA 3.35Å; C310-I326 PolarHBondContact O-N 2.97Å
311	V	98.2	Very high	96.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-23.2	-177.1	-71.9	0	0	0	0	111.9	T286 F287 I288 R309 W321 N322 C359	T286-V311 HydrophobicContact CG2-CG1 3.78Å; F287-V311 VanDerWaalsContact O-CG2 3.28Å; F287-V311 WeakPolarHBondContact O-CG2 3.26Å; F287-V311 PolarHBondContact O-N 3.12Å; I288-V311 HydrophobicContact CG1-CG2 3.89Å; R309-V311 HydrophobicContact CG-CG1 4.1Å; R309-V311 PolarHBondContact O-N 2.85Å; V311-W321 HydrophobicContact CB-CE3 4.11Å; V311-W321 HydrophobicContact CB-CH2 3.28Å; V311-W321 HydrophobicContact CB-CZ2 4.18Å; V311-W321 HydrophobicContact CB-CZ3 3.24Å; V311-W321 HydrophobicContact CG1-CH2 4.27Å; V311-W321 HydrophobicContact CG2-CE3 4.43Å; V311-W321 HydrophobicContact CG2-CH2 3.32Å; V311-W321 HydrophobicContact CG2-CZ3 3.25Å; V311-W321 WeakPolarHBondContact O-CZ3 3.48Å; V311-N322 WeakPolarHBondContact CA-O 3.44Å; V311-N322 CarbonylContact O-C 3.32Å; V311-N322 PolarHBondContact O-N 3.24Å; V311-C359 HydrophobicContact CG2-CB 4.22Å
312	G	97.9	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150	175.9	0	0	0	0	0	114.4	I288 I289 I320	I288-G312 WeakPolarHBondContact CA-O 3.01Å; I289-G312 PolarHBondContact N-O 2.85Å; G312-I320 VanDerWaalsContact CA-O 3.23Å; G312-I320 WeakPolarHBondContact CA-O 3.42Å
313	V	98.1	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.2	175.1	-174.9	0	0	0	0	109.8	I289 F292 M300 S319 I320 I326 L331 I341	I289-V313 CarbonylContact O-C 3.53Å; I289-V313 WeakPolarHBondContact O-CA 3.2Å; F292-V313 HydrophobicContact CB-CG1 3.79Å; F292-V313 HydrophobicContact CD2-CG1 3.99Å; F292-V313 HydrophobicContact CG-CG1 4.05Å; M300-V313 HydrophobicContact CE-CG2 4.45Å; M300-V313 HydrophobicContact SD-CG2 4.2Å; V313-S319 WeakPolarHBondContact O-CA 3.16Å; V313-I320 HydrophobicContact CB-CD1 4.41Å; V313-I320 HydrophobicContact CB-CG1 4.04Å; V313-I320 PolarHBondContact N-O 3.22Å; V313-I320 PolarHBondContact O-N 3.03Å; V313-I326 HydrophobicContact CG2-CD1 4.32Å; V313-L331 HydrophobicContact CB-CD2 4.21Å; V313-L331 HydrophobicContact CG1-CD2 4.3Å; V313-L331 HydrophobicContact CG2-CD2 3.79Å; V313-I341 HydrophobicContact CB-CD1 4.21Å; V313-I341 HydrophobicContact CG1-CD1 3.83Å
314	A	96.6	Very high	95.9	Very high	10 Å²	10	54.9 Å²	54.9	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.3	175.9	0	0	0	0	0	111.5	I289 Q290 G291 S319 L354	I289-A314 PolarHBondContact O-N 3.43Å; Q290-A314 HydrophobicContact CB-CB 4.47Å; Q290-A314 HydrophobicContact CG-CB 4.29Å; G291-A314 WeakPolarHBondContact CA-O 3.42Å; G291-A314 PolarHBondContact N-O 3.05Å; A314-S319 VanDerWaalsContact CB-OG 3.25Å; A314-S319 WeakPolarHBondContact CB-OG 3.39Å; A314-L354 HydrophobicContact CB-CB 4.09Å; A314-L354 HydrophobicContact CB-CD2 3.65Å
315	E	93.4	Very high	95.8	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.22	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	177.2	171.4	-84.9	-77.9	-169.5	0	0	109.7	F292 D317 G318 K335 I341	F292-E315 VanDerWaalsContact C-OE1 3.3Å; F292-E315 WeakPolarHBondContact CA-OE1 3.43Å; F292-E315 HydrophobicContact CB-CG 3.98Å; F292-E315 WeakPolarHBondContact CB-OE1 3.32Å; F292-E315 PolarHBondContact N-OE1 3.03Å; E315-D317 VanDerWaalsContact CB-OD1 3.26Å; E315-D317 WeakPolarHBondContact CB-OD1 3.07Å; E315-D317 PolarHBondContact O-N 2.96Å; E315-G318 PolarHBondContact N-O 2.65Å; E315-G318 PolarHBondContact O-N 3.31Å; E315-K335 IonicContact OE1-NZ 3.66Å; E315-K335 PolarHBondContact OE1-NZ 2.83Å; E315-I341 HydrophobicContact CB-CD1 3.75Å; E315-I341 HydrophobicContact CB-CG1 4.04Å; E315-I341 HydrophobicContact CG-CD1 3.62Å; E315-I341 HydrophobicContact CG-CG1 4.03Å; E315-I341 HydrophobicContact CG-CG2 4.32Å
316	M	87.6	Confident	95.9	Very high	170 Å²	170	45.2 Å²	45.2	84%	0.837	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.2	179.9	-66.9	-175.2	-68.7	0	0	113.7
317	D	87.5	Confident	95.9	Very high	91 Å²	91	42.9 Å²	42.9	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.7	-175.5	56.1	-9.2	0	0	0	113.8	E315 T340	E315-D317 VanDerWaalsContact CB-OD1 3.26Å; E315-D317 WeakPolarHBondContact CB-OD1 3.07Å; E315-D317 PolarHBondContact O-N 2.96Å; D317-T340 WeakPolarHBondContact OD2-CB 3.29Å; D317-T340 PolarHBondContact OD2-OG1 3.2Å
318	G	92.1	Very high	95.9	Very high	25 Å²	25	42 Å²	42	26%	0.258	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	178	176.6	0	0	0	0	0	113.7	E315	E315-G318 PolarHBondContact N-O 2.65Å; E315-G318 PolarHBondContact O-N 3.31Å
319	S	96	Very high	95.9	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.3	178.2	-65.5	0	0	0	0	110.5	V313 A314 P349 Y350	V313-S319 WeakPolarHBondContact O-CA 3.16Å; A314-S319 VanDerWaalsContact CB-OG 3.25Å; A314-S319 WeakPolarHBondContact CB-OG 3.39Å; S319-P349 WeakPolarHBondContact O-CA 3.49Å; S319-Y350 PolarHBondContact O-N 3.27Å
320	I	97.2	Very high	95.9	Very high	3 Å²	3	47 Å²	47	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.4	174.2	62.1	172.6	0	0	0	110.7	G312 V313 I326 L331 I341 F344	G312-I320 VanDerWaalsContact CA-O 3.23Å; G312-I320 WeakPolarHBondContact CA-O 3.42Å; V313-I320 HydrophobicContact CB-CD1 4.41Å; V313-I320 HydrophobicContact CB-CG1 4.04Å; V313-I320 PolarHBondContact N-O 3.22Å; V313-I320 PolarHBondContact O-N 3.03Å; I320-I326 HydrophobicContact CD1-CD1 4.08Å; I320-I326 HydrophobicContact CG1-CD1 4.08Å; I320-L331 HydrophobicContact CD1-CD1 3.58Å; I320-L331 HydrophobicContact CD1-CD2 4.08Å; I320-I341 HydrophobicContact CD1-CB 4.34Å; I320-I341 HydrophobicContact CG1-CD1 4.25Å; I320-I341 WeakPolarHBondContact CG2-O 3.34Å; I320-F344 HydrophobicContact CD1-CB 4.03Å; I320-F344 HydrophobicContact CD1-CD1 4.23Å; I320-F344 HydrophobicContact CD1-CG 4.4Å
321	W	97.6	Very high	95.9	Very high	49 Å²	49	47 Å²	47	19%	0.186	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.9	-176.7	178.7	-121.3	0	0	0	111.1	I288 V311 P323 T348 Y350 L354	I288-W321 HydrophobicContact CD1-CZ3 3.84Å; I288-W321 HydrophobicContact CG1-CZ3 4.02Å; V311-W321 HydrophobicContact CB-CE3 4.11Å; V311-W321 HydrophobicContact CB-CH2 3.28Å; V311-W321 HydrophobicContact CB-CZ2 4.18Å; V311-W321 HydrophobicContact CB-CZ3 3.24Å; V311-W321 HydrophobicContact CG1-CH2 4.27Å; V311-W321 HydrophobicContact CG2-CE3 4.43Å; V311-W321 HydrophobicContact CG2-CH2 3.32Å; V311-W321 HydrophobicContact CG2-CZ3 3.25Å; V311-W321 WeakPolarHBondContact O-CZ3 3.48Å; W321-P323 HydrophobicContact CZ2-CB 4.14Å; W321-T348 PolarHBondContact N-O 3.34Å; W321-T348 PolarHBondContact O-N 3.4Å; W321-T348 PolarHBondContact O-OG1 3.05Å; W321-Y350 HydrophobicContact CB-CD2 3.69Å; W321-Y350 HydrophobicContact CB-CG 4.31Å; W321-Y350 HydrophobicContact CD2-CD2 4.31Å; W321-Y350 AromaticContact CG-CD2 3.75Å; W321-Y350 HydrophobicContact CG-CD2 3.75Å; W321-Y350 HydrophobicContact CG-CE2 4.35Å; W321-L354 HydrophobicContact CE3-CD1 4.17Å
322	N	97.3	Very high	95.9	Very high	17 Å²	17	48.7 Å²	48.7	9%	0.091	25%	0.246	C	C	.	.			trans	-151.2	108	169.3	179.8	-3.2	0	0	0	109.8	V311 R324 G325 I326 D346	V311-N322 WeakPolarHBondContact CA-O 3.44Å; V311-N322 CarbonylContact O-C 3.32Å; V311-N322 PolarHBondContact O-N 3.24Å; N322-R324 PolarHBondContact O-N 3.19Å; N322-R324 VanDerWaalsContact O-N 3.14Å; N322-R324 WeakPolarHBondContact OD1-CA 3.27Å; N322-R324 VanDerWaalsContact OD1-CB 3.3Å; N322-R324 WeakPolarHBondContact OD1-CB 3.19Å; N322-R324 PolarHBondContact OD1-N 2.95Å; N322-G325 PolarHBondContact ND2-O 3.11Å; N322-G325 PolarHBondContact O-N 3.37Å; N322-I326 HydrophobicContact CB-CD1 4.44Å; N322-I326 HydrophobicContact CB-CG1 3.86Å; N322-D346 PolarHBondContact ND2-O 3.42Å
323	P	95.3	Very high	95.9	Very high	73 Å²	73	52.3 Å²	52.3	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18	-179.6	27.9	-35	0	0	0	113.3	R309 W321 G325	R309-P323 PolarHBondContact NH1-O 3.45Å; W321-P323 HydrophobicContact CZ2-CB 4.14Å; P323-G325 VanDerWaalsContact C-N 3.29Å
324	R	95.4	Very high	95.8	Very high	187 Å²	187	54.5 Å²	54.5	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.6	174.7	-60	-173.8	-66.2	-165	2	113.1	R309 N322	R309-R324 VanDerWaalsContact CD-O 3.29Å; R309-R324 WeakPolarHBondContact CD-O 3.36Å; N322-R324 PolarHBondContact O-N 3.19Å; N322-R324 VanDerWaalsContact O-N 3.14Å; N322-R324 WeakPolarHBondContact OD1-CA 3.27Å; N322-R324 VanDerWaalsContact OD1-CB 3.3Å; N322-R324 WeakPolarHBondContact OD1-CB 3.19Å; N322-R324 PolarHBondContact OD1-N 2.95Å
325	G	96.6	Very high	95.8	Very high	20 Å²	20	56.7 Å²	56.7	21%	0.206	28%	0.282	C	S	.	.			trans	110	147.9	178.5	0	0	0	0	0	113.1	R309 C310 N322 P323	R309-G325 VanDerWaalsContact CG-CA 3.48Å; C310-G325 CarbonylContact O-C 3.52Å; C310-G325 VanDerWaalsContact O-CA 3.23Å; C310-G325 WeakPolarHBondContact O-CA 3.35Å; N322-G325 PolarHBondContact ND2-O 3.11Å; N322-G325 PolarHBondContact O-N 3.37Å; P323-G325 VanDerWaalsContact C-N 3.29Å
326	I	97.9	Very high	95.9	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.015	31%	0.305	C	S	.	.			trans	-113.9	123.6	175.8	-55.1	173.6	0	0	0	107.8	M300 C310 V313 I320 N322 L331 F344	M300-I326 HydrophobicContact CE-CB 3.87Å; M300-I326 HydrophobicContact CE-CG2 3.74Å; M300-I326 WeakPolarHBondContact CE-O 3.33Å; C310-I326 PolarHBondContact O-N 2.97Å; V313-I326 HydrophobicContact CG2-CD1 4.32Å; I320-I326 HydrophobicContact CD1-CD1 4.08Å; I320-I326 HydrophobicContact CG1-CD1 4.08Å; N322-I326 HydrophobicContact CB-CD1 4.44Å; N322-I326 HydrophobicContact CB-CG1 3.86Å; I326-L331 HydrophobicContact CG2-CB 4.15Å; I326-L331 HydrophobicContact CG2-CD2 4Å; I326-F344 HydrophobicContact CG2-CD1 4.31Å; I326-F344 HydrophobicContact CG2-CE1 3.89Å
327	D	97.9	Very high	96.3	Very high	46 Å²	46	56.6 Å²	56.6	25%	0.246	30%	0.297	C	S	.	.			trans	-75.8	126.5	176	178	-91.3	0	0	0	110.3	H304 K329 Q330 L331	H304-D327 IonicContact CE1-OD2 2.95Å; H304-D327 PolarHBondContact CE1-OD2 3.16Å; H304-D327 IonicContact NE2-OD2 3.07Å; D327-K329 VanDerWaalsContact C-N 3.3Å; D327-K329 PolarHBondContact O-N 3.15Å; D327-K329 WeakPolarHBondContact OD1-CA 3.38Å; D327-K329 WeakPolarHBondContact OD1-CB 3.45Å; D327-K329 PolarHBondContact OD1-N 2.9Å; D327-Q330 HydrophobicContact CB-CB 4.24Å; D327-Q330 HydrophobicContact CB-CG 4.13Å; D327-Q330 WeakPolarHBondContact OD1-CG 3.48Å; D327-Q330 PolarHBondContact OD1-N 2.71Å; D327-L331 WeakPolarHBondContact O-CB 3.34Å; D327-L331 PolarHBondContact O-N 3.05Å; D327-L331 VanDerWaalsContact O-N 3.12Å
328	P	97.6	Very high	96.8	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-28.2	-175.6	25	-33.8	0	0	0	113.6	M300 R301 H304 E332	M300-P328 HydrophobicContact CB-CB 4.28Å; M300-P328 HydrophobicContact CE-CB 3.88Å; M300-P328 HydrophobicContact CG-CB 3.89Å; M300-P328 HydrophobicContact SD-CB 3.82Å; R301-P328 HydrophobicContact CG-CB 3.68Å; R301-P328 HydrophobicContact CG-CG 4.07Å; H304-P328 HydrophobicContact CB-CG 3.95Å; P328-E332 VanDerWaalsContact O-CB 3.3Å; P328-E332 WeakPolarHBondContact O-CB 3.41Å; P328-E332 PolarHBondContact O-N 3.29Å; P328-E332 VanDerWaalsContact O-N 3.1Å
329	K	97.4	Very high	96.8	Very high	99 Å²	99	58.3 Å²	58.3	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-76.7	-44.6	-178.5	-179.2	52.8	-176.7	154.2	0	110.6	D327 L331 E332 D333	D327-K329 VanDerWaalsContact C-N 3.3Å; D327-K329 PolarHBondContact O-N 3.15Å; D327-K329 WeakPolarHBondContact OD1-CA 3.38Å; D327-K329 WeakPolarHBondContact OD1-CB 3.45Å; D327-K329 PolarHBondContact OD1-N 2.9Å; K329-L331 VanDerWaalsContact C-N 3.33Å; K329-L331 PolarHBondContact O-N 3.13Å; K329-E332 WeakPolarHBondContact CD-OE2 3.48Å; K329-E332 IonicContact NZ-OE2 3.06Å; K329-E332 PolarHBondContact NZ-OE2 3.47Å; K329-E332 WeakPolarHBondContact O-CB 3.46Å; K329-E332 PolarHBondContact O-N 3.08Å; K329-D333 WeakPolarHBondContact CE-OD1 3.39Å; K329-D333 VanDerWaalsContact CE-OD2 3.29Å; K329-D333 WeakPolarHBondContact CE-OD2 3.41Å; K329-D333 IonicContact NZ-OD1 3.47Å; K329-D333 PolarHBondContact NZ-OD1 3.4Å; K329-D333 IonicContact NZ-OD2 2.67Å; K329-D333 VanDerWaalsContact O-CG 3.31Å; K329-D333 PolarHBondContact O-N 3.4Å
330	Q	97.9	Very high	96.8	Very high	114 Å²	114	58.7 Å²	58.7	53%	0.533	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-42	175.7	-65.1	176.5	18.4	0	0	111.7	D327 D333 Y334 F344	D327-Q330 HydrophobicContact CB-CB 4.24Å; D327-Q330 HydrophobicContact CB-CG 4.13Å; D327-Q330 WeakPolarHBondContact OD1-CG 3.48Å; D327-Q330 PolarHBondContact OD1-N 2.71Å; Q330-D333 PolarHBondContact O-N 3.42Å; Q330-Y334 WeakPolarHBondContact O-CB 3.49Å; Q330-Y334 PolarHBondContact O-N 3.34Å; Q330-F344 HydrophobicContact CB-CE2 4.04Å; Q330-F344 HydrophobicContact CB-CZ 3.81Å
331	L	97.9	Very high	96.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-38.3	177.5	-175.3	64.1	0	0	0	112.5	F292 M300 V313 I320 I326 D327 K329 Y334 K335 I341 F344	F292-L331 HydrophobicContact CD1-CD2 4.32Å; F292-L331 HydrophobicContact CD1-CG 4.4Å; F292-L331 HydrophobicContact CD2-CD2 4.22Å; F292-L331 HydrophobicContact CE1-CB 4.39Å; F292-L331 HydrophobicContact CE1-CD2 3.91Å; F292-L331 HydrophobicContact CE1-CG 3.71Å; F292-L331 HydrophobicContact CE2-CD2 3.79Å; F292-L331 HydrophobicContact CE2-CG 4.37Å; F292-L331 HydrophobicContact CG-CD2 4.48Å; F292-L331 HydrophobicContact CZ-CB 4.02Å; F292-L331 HydrophobicContact CZ-CD2 3.61Å; F292-L331 HydrophobicContact CZ-CG 3.67Å; M300-L331 HydrophobicContact CE-CD2 4.33Å; M300-L331 HydrophobicContact SD-CD2 4.35Å; V313-L331 HydrophobicContact CB-CD2 4.21Å; V313-L331 HydrophobicContact CG1-CD2 4.3Å; V313-L331 HydrophobicContact CG2-CD2 3.79Å; I320-L331 HydrophobicContact CD1-CD1 3.58Å; I320-L331 HydrophobicContact CD1-CD2 4.08Å; I326-L331 HydrophobicContact CG2-CB 4.15Å; I326-L331 HydrophobicContact CG2-CD2 4Å; D327-L331 WeakPolarHBondContact O-CB 3.34Å; D327-L331 PolarHBondContact O-N 3.05Å; D327-L331 VanDerWaalsContact O-N 3.12Å; K329-L331 VanDerWaalsContact C-N 3.33Å; K329-L331 PolarHBondContact O-N 3.13Å; L331-Y334 PolarHBondContact O-N 3.13Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 PolarHBondContact O-N 2.88Å; L331-I341 HydrophobicContact CD1-CB 4.11Å; L331-I341 HydrophobicContact CD1-CG2 4.09Å; L331-I341 HydrophobicContact CG-CG2 4.4Å; L331-F344 HydrophobicContact CB-CE2 4.33Å; L331-F344 HydrophobicContact CB-CZ 4.4Å; L331-F344 HydrophobicContact CD1-CB 3.93Å; L331-F344 HydrophobicContact CD1-CD1 4.06Å; L331-F344 HydrophobicContact CD1-CD2 3.75Å; L331-F344 HydrophobicContact CD1-CE2 4.3Å; L331-F344 HydrophobicContact CD1-CG 3.63Å
332	E	97.8	Very high	96.6	Very high	39 Å²	39	58.9 Å²	58.9	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-50.8	173	179.4	-174.8	-135.3	0	0	110.9	L297 P328 K329 Y334 K335 L336	L297-E332 HydrophobicContact CD1-CB 3.94Å; L297-E332 HydrophobicContact CD1-CG 4.23Å; L297-E332 HydrophobicContact CD2-CG 4.19Å; L297-E332 WeakPolarHBondContact CD2-OE1 3.48Å; P328-E332 VanDerWaalsContact O-CB 3.3Å; P328-E332 WeakPolarHBondContact O-CB 3.41Å; P328-E332 PolarHBondContact O-N 3.29Å; P328-E332 VanDerWaalsContact O-N 3.1Å; K329-E332 WeakPolarHBondContact CD-OE2 3.48Å; K329-E332 IonicContact NZ-OE2 3.06Å; K329-E332 PolarHBondContact NZ-OE2 3.47Å; K329-E332 WeakPolarHBondContact O-CB 3.46Å; K329-E332 PolarHBondContact O-N 3.08Å; E332-Y334 VanDerWaalsContact C-N 3.32Å; E332-Y334 PolarHBondContact O-N 2.88Å; E332-K335 PolarHBondContact O-N 3.04Å; E332-L336 HydrophobicContact CG-CD1 4.12Å; E332-L336 WeakPolarHBondContact O-CG 3.05Å; E332-L336 PolarHBondContact O-N 3.34Å
333	D	97.9	Very high	96.5	Very high	75 Å²	75	60.5 Å²	60.5	40%	0.401	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-40.3	-179.5	-67.7	-24	0	0	0	111.4	K329 Q330 L336 A337	K329-D333 WeakPolarHBondContact CE-OD1 3.39Å; K329-D333 VanDerWaalsContact CE-OD2 3.29Å; K329-D333 WeakPolarHBondContact CE-OD2 3.41Å; K329-D333 IonicContact NZ-OD1 3.47Å; K329-D333 PolarHBondContact NZ-OD1 3.4Å; K329-D333 IonicContact NZ-OD2 2.67Å; K329-D333 VanDerWaalsContact O-CG 3.31Å; K329-D333 PolarHBondContact O-N 3.4Å; Q330-D333 PolarHBondContact O-N 3.42Å; D333-L336 PolarHBondContact O-N 3.11Å; D333-A337 WeakPolarHBondContact O-CB 3.46Å; D333-A337 PolarHBondContact O-N 3.43Å
334	Y	97.8	Very high	96.5	Very high	47 Å²	47	57.7 Å²	57.7	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-45.6	174.8	-178.3	-89	0	0	0	112.4	Q330 L331 E332 L336 A337 N338 T340 V342 G343 F344	Q330-Y334 WeakPolarHBondContact O-CB 3.49Å; Q330-Y334 PolarHBondContact O-N 3.34Å; L331-Y334 PolarHBondContact O-N 3.13Å; E332-Y334 VanDerWaalsContact C-N 3.32Å; E332-Y334 PolarHBondContact O-N 2.88Å; Y334-L336 VanDerWaalsContact C-N 3.33Å; Y334-L336 PolarHBondContact O-N 3.23Å; Y334-A337 PolarHBondContact O-N 2.9Å; Y334-N338 VanDerWaalsContact CD2-ND2 3.3Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.17Å; Y334-N338 HydrophobicContact CE1-CB 4.13Å; Y334-N338 VanDerWaalsContact CE2-ND2 3.28Å; Y334-N338 WeakPolarHBondContact CE2-ND2 3.44Å; Y334-N338 WeakPolarHBondContact O-CB 3.29Å; Y334-N338 PolarHBondContact O-N 3.46Å; Y334-N338 PolarHBondContact O-ND2 3.01Å; Y334-T340 WeakPolarHBondContact CD1-O 3.45Å; Y334-T340 VanDerWaalsContact CE1-O 3.31Å; Y334-T340 WeakPolarHBondContact CE1-O 3.24Å; Y334-V342 WeakPolarHBondContact CE1-O 3.35Å; Y334-V342 PolarHBondContact OH-O 2.84Å; Y334-G343 PolarHBondContact OH-O 3.27Å; Y334-F344 HydrophobicContact CD1-CB 4.17Å; Y334-F344 HydrophobicContact CD1-CD2 4.06Å; Y334-F344 HydrophobicContact CD2-CD2 4.05Å; Y334-F344 HydrophobicContact CE1-CB 4.25Å; Y334-F344 HydrophobicContact CG-CB 4.49Å; Y334-F344 AromaticContact CG-CD2 3.64Å; Y334-F344 HydrophobicContact CG-CD2 3.64Å; Y334-F344 HydrophobicContact CG-CE2 4.44Å
335	K	96.2	Very high	96.5	Very high	55 Å²	55	52.3 Å²	52.3	24%	0.239	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-38.5	178.4	178.9	171.4	177.3	178.3	0	111.8	F292 E315 L331 E332 A337 G339 T340 I341	F292-K335 HydrophobicContact CD1-CD 3.52Å; F292-K335 HydrophobicContact CE1-CB 4.38Å; F292-K335 HydrophobicContact CE1-CD 4.06Å; F292-K335 PolarHBondContact O-NZ 3.45Å; E315-K335 IonicContact OE1-NZ 3.66Å; E315-K335 PolarHBondContact OE1-NZ 2.83Å; L331-K335 WeakPolarHBondContact O-CB 3.48Å; L331-K335 PolarHBondContact O-N 2.88Å; E332-K335 PolarHBondContact O-N 3.04Å; K335-A337 VanDerWaalsContact C-N 3.31Å; K335-G339 VanDerWaalsContact O-CA 3.24Å; K335-G339 WeakPolarHBondContact O-CA 3.32Å; K335-G339 PolarHBondContact O-N 3.23Å; K335-T340 WeakPolarHBondContact CA-O 3.36Å; K335-I341 HydrophobicContact CB-CG2 4.38Å; K335-I341 HydrophobicContact CD-CG2 3.96Å; K335-I341 HydrophobicContact CG-CG2 4.49Å
336	L	95.1	Very high	96.1	Very high	134 Å²	134	57.3 Å²	57.3	70%	0.702	34%	0.335	S	S	*	.	H	α-helix	trans	-64.5	-37	175.9	-71.8	172.7	0	0	0	111.9	E332 D333 Y334	E332-L336 HydrophobicContact CG-CD1 4.12Å; E332-L336 WeakPolarHBondContact O-CG 3.05Å; E332-L336 PolarHBondContact O-N 3.34Å; D333-L336 PolarHBondContact O-N 3.11Å; Y334-L336 VanDerWaalsContact C-N 3.33Å; Y334-L336 PolarHBondContact O-N 3.23Å
337	A	96.8	Very high	96	Very high	81 Å²	81	58.3 Å²	58.3	67%	0.669	34%	0.342	S	S	*	.	H	α-helix	trans	-76.7	-37.7	179.2	0	0	0	0	0	113.6	D333 Y334 K335	D333-A337 WeakPolarHBondContact O-CB 3.46Å; D333-A337 PolarHBondContact O-N 3.43Å; Y334-A337 PolarHBondContact O-N 2.9Å; K335-A337 VanDerWaalsContact C-N 3.31Å
338	N	96.2	Very high	95.8	Very high	90 Å²	90	60 Å²	60	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-108.7	-11.5	-170.3	-61.2	-81.1	0	0	0	114	Y334 T340	Y334-N338 VanDerWaalsContact CD2-ND2 3.3Å; Y334-N338 WeakPolarHBondContact CD2-ND2 3.17Å; Y334-N338 HydrophobicContact CE1-CB 4.13Å; Y334-N338 VanDerWaalsContact CE2-ND2 3.28Å; Y334-N338 WeakPolarHBondContact CE2-ND2 3.44Å; Y334-N338 WeakPolarHBondContact O-CB 3.29Å; Y334-N338 PolarHBondContact O-N 3.46Å; Y334-N338 PolarHBondContact O-ND2 3.01Å; N338-T340 HydrophobicContact CB-CG2 4.34Å; N338-T340 PolarHBondContact O-N 3.4Å
339	G	93.8	Very high	95.7	Very high	62 Å²	62	64.4 Å²	64.4	64%	0.639	38%	0.383	S	S	*	.	S	Bend	trans	73.9	1.1	-176.4	0	0	0	0	0	115.1	K335	K335-G339 VanDerWaalsContact O-CA 3.24Å; K335-G339 WeakPolarHBondContact O-CA 3.32Å; K335-G339 PolarHBondContact O-N 3.23Å
340	T	95.5	Very high	95.4	Very high	32 Å²	32	62.9 Å²	62.9	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-144.2	158.5	-178.3	179.6	0	0	0	0	110.9	D317 Y334 K335 N338 V342	D317-T340 WeakPolarHBondContact OD2-CB 3.29Å; D317-T340 PolarHBondContact OD2-OG1 3.2Å; Y334-T340 WeakPolarHBondContact CD1-O 3.45Å; Y334-T340 VanDerWaalsContact CE1-O 3.31Å; Y334-T340 WeakPolarHBondContact CE1-O 3.24Å; K335-T340 WeakPolarHBondContact CA-O 3.36Å; N338-T340 HydrophobicContact CB-CG2 4.34Å; N338-T340 PolarHBondContact O-N 3.4Å; T340-V342 PolarHBondContact OG1-N 3.07Å
341	I	95.5	Very high	94.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-87.8	-16.6	167.8	64.8	171.1	0	0	0	112.5	F292 V313 E315 I320 L331 K335 F344	F292-I341 HydrophobicContact CB-CG2 4.42Å; F292-I341 HydrophobicContact CD1-CG2 3.79Å; F292-I341 HydrophobicContact CE1-CG2 4.43Å; F292-I341 HydrophobicContact CG-CG2 4.37Å; V313-I341 HydrophobicContact CB-CD1 4.21Å; V313-I341 HydrophobicContact CG1-CD1 3.83Å; E315-I341 HydrophobicContact CB-CD1 3.75Å; E315-I341 HydrophobicContact CB-CG1 4.04Å; E315-I341 HydrophobicContact CG-CD1 3.62Å; E315-I341 HydrophobicContact CG-CG1 4.03Å; E315-I341 HydrophobicContact CG-CG2 4.32Å; I320-I341 HydrophobicContact CD1-CB 4.34Å; I320-I341 HydrophobicContact CG1-CD1 4.25Å; I320-I341 WeakPolarHBondContact CG2-O 3.34Å; L331-I341 HydrophobicContact CD1-CB 4.11Å; L331-I341 HydrophobicContact CD1-CG2 4.09Å; L331-I341 HydrophobicContact CG-CG2 4.4Å; K335-I341 HydrophobicContact CB-CG2 4.38Å; K335-I341 HydrophobicContact CD-CG2 3.96Å; K335-I341 HydrophobicContact CG-CG2 4.49Å; I341-F344 WeakPolarHBondContact O-CB 3.29Å; I341-F344 PolarHBondContact O-N 2.99Å
342	V	94.9	Very high	94.3	Very high	56 Å²	56	69.5 Å²	69.5	34%	0.339	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	135.9	-176.5	-179.8	0	0	0	0	109.5	Y334 T340	Y334-V342 WeakPolarHBondContact CE1-O 3.35Å; Y334-V342 PolarHBondContact OH-O 2.84Å; T340-V342 PolarHBondContact OG1-N 3.07Å
343	G	94.4	Very high	94	Very high	51 Å²	51	69.8 Å²	69.8	53%	0.526	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.5	-175.9	0	0	0	0	0	114.7	Y334	Y334-G343 PolarHBondContact OH-O 3.27Å
344	F	96.8	Very high	93.8	Very high	14 Å²	14	66.4 Å²	66.4	6%	0.061	41%	0.412	C	S	.	.			trans	-53.2	126.1	174.8	179.5	-110.7	0	0	0	110.9	I320 I326 Q330 L331 Y334 I341 S347	I320-F344 HydrophobicContact CD1-CB 4.03Å; I320-F344 HydrophobicContact CD1-CD1 4.23Å; I320-F344 HydrophobicContact CD1-CG 4.4Å; I326-F344 HydrophobicContact CG2-CD1 4.31Å; I326-F344 HydrophobicContact CG2-CE1 3.89Å; Q330-F344 HydrophobicContact CB-CE2 4.04Å; Q330-F344 HydrophobicContact CB-CZ 3.81Å; L331-F344 HydrophobicContact CB-CE2 4.33Å; L331-F344 HydrophobicContact CB-CZ 4.4Å; L331-F344 HydrophobicContact CD1-CB 3.93Å; L331-F344 HydrophobicContact CD1-CD1 4.06Å; L331-F344 HydrophobicContact CD1-CD2 3.75Å; L331-F344 HydrophobicContact CD1-CE2 4.3Å; L331-F344 HydrophobicContact CD1-CG 3.63Å; Y334-F344 HydrophobicContact CD1-CB 4.17Å; Y334-F344 HydrophobicContact CD1-CD2 4.06Å; Y334-F344 HydrophobicContact CD2-CD2 4.05Å; Y334-F344 HydrophobicContact CE1-CB 4.25Å; Y334-F344 HydrophobicContact CG-CB 4.49Å; Y334-F344 AromaticContact CG-CD2 3.64Å; Y334-F344 HydrophobicContact CG-CD2 3.64Å; Y334-F344 HydrophobicContact CG-CE2 4.44Å; I341-F344 WeakPolarHBondContact O-CB 3.29Å; I341-F344 PolarHBondContact O-N 2.99Å; F344-S347 PolarHBondContact O-N 3.12Å; F344-S347 PolarHBondContact O-OG 3.09Å
345	P	94.7	Very high	93.7	Very high	74 Å²	74	64.8 Å²	64.8	48%	0.481	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	150.4	179.5	-27.2	35	0	0	0	112.5	S347	P345-S347 PolarHBondContact O-N 3.13Å; P345-S347 VanDerWaalsContact O-N 3.07Å
346	D	89	Confident	93.7	Very high	126 Å²	126	64 Å²	64	67%	0.674	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	17	-178.4	-59.5	-45.1	0	0	0	115.1	N322	N322-D346 PolarHBondContact ND2-O 3.42Å
347	S	93.8	Very high	93.8	Very high	23 Å²	23	57.7 Å²	57.7	16%	0.161	37%	0.371	C	S	.	.			trans	-122.5	153.7	169.2	76	0	0	0	0	111.5	F344 P345	F344-S347 PolarHBondContact O-N 3.12Å; F344-S347 PolarHBondContact O-OG 3.09Å; P345-S347 PolarHBondContact O-N 3.13Å; P345-S347 VanDerWaalsContact O-N 3.07Å
348	T	95.2	Very high	93.8	Very high	82 Å²	82	59 Å²	59	50%	0.503	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.9	173.5	54.1	0	0	0	0	109.9	W321 Y350	W321-T348 PolarHBondContact N-O 3.34Å; W321-T348 PolarHBondContact O-N 3.4Å; W321-T348 PolarHBondContact O-OG1 3.05Å; T348-Y350 PolarHBondContact O-N 3.23Å
349	P	94.3	Very high	93.9	Very high	99 Å²	99	55.1 Å²	55.1	64%	0.643	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.1	135.5	164.9	-23	33.6	0	0	0	110	S319	S319-P349 WeakPolarHBondContact O-CA 3.49Å
350	Y	91.1	Very high	94.1	Very high	67 Å²	67	54 Å²	54	26%	0.263	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-94.4	121	176.9	-168.4	-92.3	0	0	0	110.1	S319 W321 T348 L354 A357	S319-Y350 PolarHBondContact O-N 3.27Å; W321-Y350 HydrophobicContact CB-CD2 3.69Å; W321-Y350 HydrophobicContact CB-CG 4.31Å; W321-Y350 HydrophobicContact CD2-CD2 4.31Å; W321-Y350 AromaticContact CG-CD2 3.75Å; W321-Y350 HydrophobicContact CG-CD2 3.75Å; W321-Y350 HydrophobicContact CG-CE2 4.35Å; T348-Y350 PolarHBondContact O-N 3.23Å; Y350-L354 HydrophobicContact CD1-CB 4.3Å; Y350-L354 HydrophobicContact CD1-CD1 3.84Å; Y350-L354 HydrophobicContact CD2-CD1 3.88Å; Y350-L354 HydrophobicContact CE1-CD1 4.31Å; Y350-L354 HydrophobicContact CE2-CD1 4.34Å; Y350-L354 HydrophobicContact CG-CD1 3.61Å; Y350-A357 HydrophobicContact CE1-CB 4.21Å; Y350-A357 HydrophobicContact CE2-CB 3.95Å; Y350-A357 WeakPolarHBondContact OH-CB 3.31Å
351	E	86.3	Confident	94.3	Very high	186 Å²	186	52.5 Å²	52.5	87%	0.869	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-82.3	125	173.8	-66	-171.5	172.3	0	0	110.5
352	G	86.9	Confident	94.4	Very high	66 Å²	66	52.5 Å²	52.5	68%	0.68	32%	0.317	S	S	*	.	S	Bend	trans	96.2	-166.2	-177.6	0	0	0	0	0	113.7	L354	G352-L354 PolarHBondContact O-N 3.16Å
353	S	91.8	Very high	94.6	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	30%	0.3	S	S	.	.			trans	-82.6	114.8	-177.3	-178.3	0	0	0	0	111	L355 E356	S353-L355 PolarHBondContact O-N 3.32Å; S353-E356 PolarHBondContact O-N 2.96Å
354	L	94	Very high	94.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.6	176	-165.2	72.1	0	0	0	112.5	I288 A314 W321 Y350 G352 E356 A357	I288-L354 HydrophobicContact CD1-CD1 4.42Å; I288-L354 HydrophobicContact CD1-CG 4.36Å; I288-L354 HydrophobicContact CG2-CD2 3.71Å; I288-L354 HydrophobicContact CG2-CG 3.73Å; A314-L354 HydrophobicContact CB-CB 4.09Å; A314-L354 HydrophobicContact CB-CD2 3.65Å; W321-L354 HydrophobicContact CE3-CD1 4.17Å; Y350-L354 HydrophobicContact CD1-CB 4.3Å; Y350-L354 HydrophobicContact CD1-CD1 3.84Å; Y350-L354 HydrophobicContact CD2-CD1 3.88Å; Y350-L354 HydrophobicContact CE1-CD1 4.31Å; Y350-L354 HydrophobicContact CE2-CD1 4.34Å; Y350-L354 HydrophobicContact CG-CD1 3.61Å; G352-L354 PolarHBondContact O-N 3.16Å; L354-E356 PolarHBondContact O-N 3.24Å; L354-A357 HydrophobicContact CD1-CB 4.15Å; L354-A357 WeakPolarHBondContact O-CB 3.47Å; L354-A357 PolarHBondContact O-N 2.79Å
355	L	95.6	Very high	94.8	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.4	-19.5	173.9	-59.8	177.2	0	0	0	112.9	Q290 S353 L362 Q370 L371	Q290-L355 HydrophobicContact CB-CD2 3.72Å; Q290-L355 HydrophobicContact CG-CD2 4.07Å; S353-L355 PolarHBondContact O-N 3.32Å; L355-L362 HydrophobicContact CB-CD2 4.44Å; L355-L362 HydrophobicContact CD2-CD1 3.95Å; L355-L362 HydrophobicContact CD2-CD2 4.36Å; L355-L362 WeakPolarHBondContact O-CD2 3.32Å; L355-Q370 HydrophobicContact CD1-CB 4.23Å; L355-L371 HydrophobicContact CB-CD2 4.37Å; L355-L371 HydrophobicContact CD1-CD2 4.22Å
356	E	96.9	Very high	94.7	Very high	39 Å²	39	45.3 Å²	45.3	18%	0.182	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-102.7	-1.3	-178.4	-56.7	175.9	-173.3	0	0	112.5	S353 L354 N375 R378 K380	S353-E356 PolarHBondContact O-N 2.96Å; L354-E356 PolarHBondContact O-N 3.24Å; E356-N375 WeakPolarHBondContact OE1-CB 3.32Å; E356-R378 HydrophobicContact CB-CB 4.23Å; E356-R378 HydrophobicContact CG-CB 3.92Å; E356-R378 IonicContact OE1-CZ 3.62Å; E356-R378 IonicContact OE1-NE 3.04Å; E356-R378 PolarHBondContact OE1-NE 2.92Å; E356-R378 VanDerWaalsContact OE1-NE 3.11Å; E356-R378 IonicContact OE1-NH2 3.25Å; E356-R378 PolarHBondContact OE1-NH2 3.1Å; E356-R378 WeakPolarHBondContact OE2-CD 3.2Å; E356-R378 IonicContact OE2-CZ 2.79Å; E356-R378 IonicContact OE2-NE 2.99Å; E356-R378 PolarHBondContact OE2-NE 3.46Å; E356-R378 IonicContact OE2-NH2 3.44Å; E356-K380 WeakPolarHBondContact O-CD 3.33Å
357	A	96.4	Very high	94.8	Very high	2 Å²	2	41 Å²	41	2%	0.017	25%	0.246	C	C	.	.	S	Bend	trans	-72.2	160.5	-180	0	0	0	0	0	112	I288 Y350 L354 C359	I288-A357 HydrophobicContact CD1-CB 3.55Å; Y350-A357 HydrophobicContact CE1-CB 4.21Å; Y350-A357 HydrophobicContact CE2-CB 3.95Å; Y350-A357 WeakPolarHBondContact OH-CB 3.31Å; L354-A357 HydrophobicContact CD1-CB 4.15Å; L354-A357 WeakPolarHBondContact O-CB 3.47Å; L354-A357 PolarHBondContact O-N 2.79Å; A357-C359 PolarHBondContact O-N 3.32Å
358	D	96.9	Very high	94.7	Very high	109 Å²	109	41 Å²	41	58%	0.583	24%	0.244	S	C	*	.			trans	-76	124.1	-177	-164.7	37.3	0	0	0	111.2	K380	D358-K380 HydrophobicContact CB-CD 4.08Å
359	C	98.1	Very high	94.7	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.054	23%	0.23	C	C	.	.			trans	-165.3	168	175.3	62	0	0	0	0	110.2	T286 I288 V311 A357 A381	T286-C359 WeakPolarHBondContact OG1-CA 3.49Å; I288-C359 HydrophobicContact CD1-CB 3.89Å; I288-C359 HydrophobicContact CG1-CB 3.82Å; V311-C359 HydrophobicContact CG2-CB 4.22Å; A357-C359 PolarHBondContact O-N 3.32Å; C359-A381 VanDerWaalsContact O-CA 3.25Å; C359-A381 WeakPolarHBondContact O-CA 3.3Å
360	D	98.6	Very high	94.8	Very high	38 Å²	38	37.4 Å²	37.4	20%	0.203	21%	0.212	C	C	.	.	S	Bend	trans	-81.3	-41.1	173.7	-59.2	-70.8	0	0	0	111.7	L278 K285 T286 K382 I383	L278-D360 HydrophobicContact CD1-CB 4.37Å; L278-D360 WeakPolarHBondContact CD2-OD1 3.37Å; K285-D360 WeakPolarHBondContact CA-OD2 3.36Å; K285-D360 HydrophobicContact CB-CB 4.32Å; T286-D360 PolarHBondContact N-OD2 3.49Å; T286-D360 WeakPolarHBondContact O-CB 3.32Å; T286-D360 PolarHBondContact O-N 2.98Å; T286-D360 PolarHBondContact OG1-N 3.25Å; T286-D360 VanDerWaalsContact OG1-N 3.16Å; T286-D360 PolarHBondContact OG1-OD2 3.36Å; D360-K382 PolarHBondContact O-N 3.03Å; D360-I383 PolarHBondContact O-N 3.37Å
361	I	98.8	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120	-172.2	-47.9	169.5	0	0	0	110.4	I263 I267 K285 T286 F287 I288 I363 I383 A385	I263-I361 HydrophobicContact CD1-CG2 4.44Å; I263-I361 HydrophobicContact CG2-CD1 4.28Å; I267-I361 HydrophobicContact CD1-CD1 3.79Å; K285-I361 HydrophobicContact CD-CD1 4.44Å; T286-I361 PolarHBondContact O-N 3.48Å; T286-I361 VanDerWaalsContact O-N 3.08Å; F287-I361 CarbonylContact C-O 3.51Å; F287-I361 WeakPolarHBondContact CA-O 3.5Å; F287-I361 HydrophobicContact CB-CB 3.87Å; F287-I361 VanDerWaalsContact CB-O 3.32Å; F287-I361 WeakPolarHBondContact CB-O 3.5Å; I288-I361 PolarHBondContact N-O 3Å; I361-I363 HydrophobicContact CG2-CD1 4.34Å; I361-I363 HydrophobicContact CG2-CG1 3.96Å; I361-I383 CarbonylContact C-O 3.58Å; I361-I383 WeakPolarHBondContact CA-O 3.11Å; I361-I383 HydrophobicContact CG1-CB 4.28Å; I361-I383 HydrophobicContact CG1-CD1 4.32Å; I361-I383 HydrophobicContact CG2-CB 4.32Å; I361-I383 HydrophobicContact CG2-CG2 4.24Å; I361-A385 HydrophobicContact CG2-CB 4.15Å
362	L	98.9	Very high	95.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.6	172.1	179.6	65.3	0	0	0	110.6	I288 L355 P364 L371 V379 A381 I383 I384 A385	I288-L362 HydrophobicContact CB-CD1 4.05Å; I288-L362 HydrophobicContact CG2-CD1 3.84Å; L355-L362 HydrophobicContact CB-CD2 4.44Å; L355-L362 HydrophobicContact CD2-CD1 3.95Å; L355-L362 HydrophobicContact CD2-CD2 4.36Å; L355-L362 WeakPolarHBondContact O-CD2 3.32Å; L362-P364 WeakPolarHBondContact O-CD 3.27Å; L362-L371 HydrophobicContact CD2-CD1 4.35Å; L362-L371 HydrophobicContact CD2-CD2 4.12Å; L362-V379 HydrophobicContact CD2-CG1 3.9Å; L362-A381 HydrophobicContact CB-CB 3.69Å; L362-I383 PolarHBondContact N-O 3.5Å; L362-I384 WeakPolarHBondContact O-CA 3.41Å; L362-A385 PolarHBondContact O-N 3.1Å
363	I	98.8	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	90.4	-175.1	-49.1	179.2	0	0	0	109.8	I263 F287 I288 I289 Q290 T299 L303 I361 A365 A385	I263-I363 HydrophobicContact CD1-CD1 4.33Å; F287-I363 HydrophobicContact CB-CD1 4.49Å; F287-I363 HydrophobicContact CD2-CD1 4.04Å; F287-I363 HydrophobicContact CG-CD1 4.49Å; I288-I363 WeakPolarHBondContact O-CB 3.3Å; I288-I363 PolarHBondContact O-N 2.8Å; I289-I363 HydrophobicContact CD1-CD1 4.45Å; I289-I363 HydrophobicContact CG1-CB 4Å; I289-I363 HydrophobicContact CG1-CD1 4.01Å; I289-I363 HydrophobicContact CG1-CG1 4.4Å; I289-I363 HydrophobicContact CG1-CG2 4.47Å; Q290-I363 PolarHBondContact N-O 2.89Å; T299-I363 HydrophobicContact CG2-CD1 3.72Å; T299-I363 HydrophobicContact CG2-CG2 4.18Å; L303-I363 HydrophobicContact CD1-CD1 3.27Å; I361-I363 HydrophobicContact CG2-CD1 4.34Å; I361-I363 HydrophobicContact CG2-CG1 3.96Å; I363-A365 PolarHBondContact O-N 3.25Å; I363-A385 WeakPolarHBondContact CA-O 3.39Å; I363-A385 HydrophobicContact CG1-CB 4.14Å
364	P	98.3	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.8	169.9	28.4	-32.7	0	0	0	110.2	L362 L371 I384 A385 G387 A388 P391	L362-P364 WeakPolarHBondContact O-CD 3.27Å; P364-L371 HydrophobicContact CG-CD1 4.4Å; P364-I384 HydrophobicContact CG-CG2 4.3Å; P364-A385 WeakPolarHBondContact CD-O 3.48Å; P364-G387 CarbonylContact O-C 3.59Å; P364-G387 WeakPolarHBondContact O-CA 3.37Å; P364-G387 PolarHBondContact O-N 3.34Å; P364-A388 PolarHBondContact O-N 3.33Å; P364-P391 HydrophobicContact CB-CB 3.67Å; P364-P391 HydrophobicContact CB-CG 4.16Å; P364-P391 HydrophobicContact CG-CB 3.77Å; P364-P391 HydrophobicContact CG-CG 3.74Å
365	A	97.4	Very high	96.2	Very high	13 Å²	13	34.8 Å²	34.8	11%	0.107	17%	0.173	C	C	.	.			trans	-133.1	25.2	-176.3	0	0	0	0	0	112.9	Q290 V295 I363	Q290-A365 CarbonylContact O-C 3.57Å; Q290-A365 WeakPolarHBondContact O-CA 3.22Å; Q290-A365 VanDerWaalsContact O-CB 3.31Å; Q290-A365 WeakPolarHBondContact O-CB 3.44Å; Q290-A365 PolarHBondContact O-N 2.97Å; V295-A365 HydrophobicContact CB-CB 4.17Å; V295-A365 HydrophobicContact CG1-CB 3.92Å; I363-A365 PolarHBondContact O-N 3.25Å
366	A	91.8	Very high	96.3	Very high	31 Å²	31	34.1 Å²	34.1	26%	0.256	17%	0.17	S	C	.	.	S	Bend	trans	-106	-114.4	176.5	0	0	0	0	0	111.3	Q290	Q290-A366 HydrophobicContact CG-CB 4.08Å; Q290-A366 PolarHBondContact O-N 2.87Å
367	S	90.5	Very high	96.3	Very high	34 Å²	34	37.4 Å²	37.4	24%	0.238	19%	0.185	C	C	.	.	S	Bend	trans	-96.8	175.9	178	48.9	0	0	0	0	112.9	Q370	S367-Q370 VanDerWaalsContact O-CG 3.28Å; S367-Q370 WeakPolarHBondContact O-CG 3.49Å; S367-Q370 PolarHBondContact OG-NE2 2.95Å
368	E	92.9	Very high	96.4	Very high	25 Å²	25	43.2 Å²	43.2	12%	0.117	21%	0.206	C	C	.	.	S	Bend	trans	-70.2	166.2	172.2	64.4	-75	166.5	0	0	113.3	F49 R134 Q370 N389 G390	F49-E368 HydrophobicContact CD1-CB 4.41Å; F49-E368 HydrophobicContact CD1-CG 3.91Å; F49-E368 HydrophobicContact CE1-CB 3.76Å; F49-E368 HydrophobicContact CE1-CG 3.66Å; F49-E368 HydrophobicContact CE2-CB 4.26Å; F49-E368 HydrophobicContact CZ-CB 3.67Å; F49-E368 HydrophobicContact CZ-CG 4.09Å; R134-E368 IonicContact CZ-OE2 2.7Å; R134-E368 IonicContact NH1-OE2 3.94Å; R134-E368 PolarHBondContact NH1-OE2 3.48Å; E368-Q370 VanDerWaalsContact C-N 3.3Å; E368-Q370 PolarHBondContact O-N 3.09Å; E368-Q370 PolarHBondContact O-NE2 2.81Å; E368-N389 VanDerWaalsContact CB-O 3.32Å; E368-N389 WeakPolarHBondContact CB-O 3.38Å; E368-G390 CarbonylContact C-O 3.56Å; E368-G390 WeakPolarHBondContact CA-O 3.36Å; E368-G390 WeakPolarHBondContact CB-O 3.42Å
369	K	95	Very high	96.4	Very high	48 Å²	48	38 Å²	38	21%	0.209	18%	0.179	C	C	.	.	S	Bend	trans	51.7	38.9	170.8	-56.8	177.6	-71.2	170.3	0	115	D46 M52 T372 G390 P391 T393	D46-K369 WeakPolarHBondContact OD1-CD 3.34Å; D46-K369 WeakPolarHBondContact OD1-CE 3.45Å; D46-K369 IonicContact OD1-NZ 3.01Å; D46-K369 PolarHBondContact OD1-NZ 3.26Å; D46-K369 IonicContact OD2-NZ 3.5Å; M52-K369 HydrophobicContact CE-CG 4.44Å; M52-K369 HydrophobicContact SD-CG 4.17Å; K369-T372 VanDerWaalsContact O-CG2 3.31Å; K369-T372 WeakPolarHBondContact O-CG2 3.49Å; K369-G390 PolarHBondContact N-O 3.24Å; K369-P391 CarbonylContact C-O 3.54Å; K369-T393 HydrophobicContact CB-CG2 4.17Å; K369-T393 HydrophobicContact CG-CG2 4.18Å
370	Q	95.7	Very high	96.4	Very high	56 Å²	56	43 Å²	43	26%	0.262	20%	0.199	S	C	.	.			trans	-84.1	-30.3	178.1	-59.5	-58.9	-64.6	0	0	112.6	L355 S367 E368 N375 P391	L355-Q370 HydrophobicContact CD1-CB 4.23Å; S367-Q370 VanDerWaalsContact O-CG 3.28Å; S367-Q370 WeakPolarHBondContact O-CG 3.49Å; S367-Q370 PolarHBondContact OG-NE2 2.95Å; E368-Q370 VanDerWaalsContact C-N 3.3Å; E368-Q370 PolarHBondContact O-N 3.09Å; E368-Q370 PolarHBondContact O-NE2 2.81Å; Q370-N375 PolarHBondContact O-ND2 3.42Å; Q370-P391 PolarHBondContact N-O 2.9Å
371	L	97.5	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-104.6	112.8	175.7	-60.3	175.3	0	0	0	108.4	L355 L362 P364 N375 V379 I384 P391 T392 T393 A396 F400	L355-L371 HydrophobicContact CB-CD2 4.37Å; L355-L371 HydrophobicContact CD1-CD2 4.22Å; L362-L371 HydrophobicContact CD2-CD1 4.35Å; L362-L371 HydrophobicContact CD2-CD2 4.12Å; P364-L371 HydrophobicContact CG-CD1 4.4Å; L371-N375 WeakPolarHBondContact CA-OD1 3.27Å; L371-V379 HydrophobicContact CD2-CG2 4Å; L371-I384 HydrophobicContact CD1-CD1 3.98Å; L371-I384 HydrophobicContact CD1-CG2 3.82Å; L371-P391 PolarHBondContact N-O 2.9Å; L371-T392 HydrophobicContact CB-CG2 4.22Å; L371-T392 WeakPolarHBondContact O-CA 3.44Å; L371-T393 PolarHBondContact O-N 3.09Å; L371-T393 PolarHBondContact O-OG1 3.26Å; L371-A396 HydrophobicContact CB-CB 4.45Å; L371-A396 VanDerWaalsContact O-CB 3.31Å; L371-A396 WeakPolarHBondContact O-CB 3.47Å; L371-F400 HydrophobicContact CB-CE2 4.13Å; L371-F400 HydrophobicContact CB-CZ 4.16Å; L371-F400 HydrophobicContact CD1-CE2 4.03Å; L371-F400 HydrophobicContact CD1-CZ 4.12Å
372	T	97	Very high	96.4	Very high	19 Å²	19	45.6 Å²	45.6	12%	0.117	21%	0.209	C	C	.	.			trans	-130.2	172.9	-170.1	81.4	0	0	0	0	110.4	D45 K369 R374 N375 A376 T393	D45-T372 VanDerWaalsContact CG-CB 3.44Å; D45-T372 VanDerWaalsContact OD1-CB 3.28Å; D45-T372 WeakPolarHBondContact OD1-CB 3.43Å; D45-T372 WeakPolarHBondContact OD2-CB 3.22Å; D45-T372 PolarHBondContact OD2-OG1 3.12Å; K369-T372 VanDerWaalsContact O-CG2 3.31Å; K369-T372 WeakPolarHBondContact O-CG2 3.49Å; T372-R374 PolarHBondContact O-N 3.47Å; T372-R374 VanDerWaalsContact O-N 3.16Å; T372-R374 PolarHBondContact OG1-N 3.44Å; T372-N375 PolarHBondContact N-OD1 2.67Å; T372-N375 PolarHBondContact O-N 2.94Å; T372-N375 PolarHBondContact O-OD1 2.95Å; T372-N375 VanDerWaalsContact O-OD1 3.09Å; T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 3.34Å; T372-T393 HydrophobicContact CG2-CG2 4.11Å
373	Q	95.2	Very high	96.4	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-54.2	-36.5	177.6	-167.6	-175.9	21	0	0	111.6	D45 N375 H377 E395 I399	D45-Q373 WeakPolarHBondContact OD1-CB 3.32Å; D45-Q373 PolarHBondContact OD1-N 2.91Å; D45-Q373 PolarHBondContact OD2-N 3.24Å; Q373-N375 PolarHBondContact O-N 3.24Å; Q373-H377 PolarHBondContact O-CD2 3.41Å; Q373-E395 HydrophobicContact CB-CB 4.02Å; Q373-E395 HydrophobicContact CG-CB 4.31Å; Q373-I399 HydrophobicContact CG-CD1 4.01Å
374	R	94.3	Very high	96.4	Very high	189 Å²	189	45.6 Å²	45.6	71%	0.713	21%	0.209	S	C	*	.	H	α-helix	trans	-64.1	-35.9	-179.2	-73.7	164.7	-173.6	-175.2	3.3	114.4	D45 T372 R378	D45-R374 WeakPolarHBondContact OD2-CB 3.44Å; D45-R374 WeakPolarHBondContact OD2-CD 3.42Å; D45-R374 WeakPolarHBondContact OD2-CG 3.28Å; D45-R374 PolarHBondContact OD2-N 3.06Å; D45-R374 IonicContact OD2-NE 2.81Å; T372-R374 PolarHBondContact O-N 3.47Å; T372-R374 VanDerWaalsContact O-N 3.16Å; T372-R374 PolarHBondContact OG1-N 3.44Å; R374-R378 VanDerWaalsContact O-CZ 3.28Å; R374-R378 PolarHBondContact O-NH1 2.88Å; R374-R378 PolarHBondContact O-NH2 2.88Å; R374-R378 VanDerWaalsContact O-NH2 3.11Å
375	N	95.8	Very high	96.4	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.102	21%	0.209	C	C	.	.	H	α-helix	trans	-112.2	-18.4	-174.5	68.7	7.1	0	0	0	114.2	E356 Q370 L371 T372 Q373 H377 R378 V379	E356-N375 WeakPolarHBondContact OE1-CB 3.32Å; Q370-N375 PolarHBondContact O-ND2 3.42Å; L371-N375 WeakPolarHBondContact CA-OD1 3.27Å; T372-N375 PolarHBondContact N-OD1 2.67Å; T372-N375 PolarHBondContact O-N 2.94Å; T372-N375 PolarHBondContact O-OD1 2.95Å; T372-N375 VanDerWaalsContact O-OD1 3.09Å; Q373-N375 PolarHBondContact O-N 3.24Å; N375-H377 PolarHBondContact O-N 3.39Å; N375-H377 VanDerWaalsContact O-N 3.09Å; N375-R378 PolarHBondContact O-N 3.5Å; N375-V379 PolarHBondContact O-N 3.17Å
376	A	97.2	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-31.2	-177.4	0	0	0	0	0	113.5	T372 R378 A396 I399 F400 R403	T372-A376 WeakPolarHBondContact O-CB 3.45Å; T372-A376 PolarHBondContact O-N 3.34Å; A376-R378 VanDerWaalsContact C-N 3.28Å; A376-R378 PolarHBondContact O-N 3.43Å; A376-A396 HydrophobicContact CB-CB 3.79Å; A376-I399 HydrophobicContact CB-CB 4.05Å; A376-I399 HydrophobicContact CB-CD1 3.88Å; A376-I399 HydrophobicContact CB-CG2 3.93Å; A376-F400 HydrophobicContact CB-CD1 4.36Å; A376-F400 HydrophobicContact CB-CE1 3.65Å; A376-F400 HydrophobicContact CB-CE2 4.46Å; A376-F400 HydrophobicContact CB-CZ 3.71Å; A376-F400 WeakPolarHBondContact O-CE1 3.38Å; A376-R403 PolarHBondContact O-NH1 2.85Å
377	H	97.4	Very high	96.7	Very high	107 Å²	107	43.6 Å²	43.6	50%	0.495	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.4	175.7	-64.5	-71.6	0	0	0	114.1	Q373 N375 I399 R403	Q373-H377 PolarHBondContact O-CD2 3.41Å; N375-H377 PolarHBondContact O-N 3.39Å; N375-H377 VanDerWaalsContact O-N 3.09Å; H377-I399 VanDerWaalsContact NE2-CD1 3.26Å; H377-I399 WeakPolarHBondContact NE2-CD1 3.25Å; H377-R403 PolarHBondContact O-NH1 3.12Å
378	R	97.6	Very high	97	Very high	125 Å²	125	42.3 Å²	42.3	47%	0.472	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-13.8	-177	-65.9	-169.8	-60.6	-74.9	-8.1	113.6	E356 R374 N375 A376 K380	E356-R378 HydrophobicContact CB-CB 4.23Å; E356-R378 HydrophobicContact CG-CB 3.92Å; E356-R378 IonicContact OE1-CZ 3.62Å; E356-R378 IonicContact OE1-NE 3.04Å; E356-R378 PolarHBondContact OE1-NE 2.92Å; E356-R378 VanDerWaalsContact OE1-NE 3.11Å; E356-R378 IonicContact OE1-NH2 3.25Å; E356-R378 PolarHBondContact OE1-NH2 3.1Å; E356-R378 WeakPolarHBondContact OE2-CD 3.2Å; E356-R378 IonicContact OE2-CZ 2.79Å; E356-R378 IonicContact OE2-NE 2.99Å; E356-R378 PolarHBondContact OE2-NE 3.46Å; E356-R378 IonicContact OE2-NH2 3.44Å; R374-R378 VanDerWaalsContact O-CZ 3.28Å; R374-R378 PolarHBondContact O-NH1 2.88Å; R374-R378 PolarHBondContact O-NH2 2.88Å; R374-R378 VanDerWaalsContact O-NH2 3.11Å; N375-R378 PolarHBondContact O-N 3.5Å; A376-R378 VanDerWaalsContact C-N 3.28Å; A376-R378 PolarHBondContact O-N 3.43Å; R378-K380 PolarHBondContact O-N 2.59Å
379	V	98.1	Very high	97.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	18%	0.184	C	C	.	.			trans	-57.7	128.4	172.2	-179.3	0	0	0	0	109.5	L362 L371 N375 A381 I384 F400 R403 M405	L362-V379 HydrophobicContact CD2-CG1 3.9Å; L371-V379 HydrophobicContact CD2-CG2 4Å; N375-V379 PolarHBondContact O-N 3.17Å; V379-A381 HydrophobicContact CG1-CB 4.16Å; V379-I384 HydrophobicContact CG1-CD1 4.5Å; V379-F400 HydrophobicContact CB-CE1 4.03Å; V379-F400 HydrophobicContact CG1-CE1 4.47Å; V379-F400 HydrophobicContact CG2-CE1 4.03Å; V379-F400 HydrophobicContact CG2-CZ 4.1Å; V379-R403 VanDerWaalsContact O-CZ 3.29Å; V379-R403 PolarHBondContact O-NH1 3.36Å; V379-R403 PolarHBondContact O-NH2 3.37Å; V379-M405 HydrophobicContact CB-CE 4.41Å; V379-M405 HydrophobicContact CG1-CE 3.79Å
380	K	97.7	Very high	97.2	Very high	112 Å²	112	40 Å²	40	49%	0.487	18%	0.175	S	C	.	.			trans	-99.1	-20.1	-177.4	-65.1	180	-176	175.1	0	113.7	E356 D358 R378	E356-K380 WeakPolarHBondContact O-CD 3.33Å; D358-K380 HydrophobicContact CB-CD 4.08Å; R378-K380 PolarHBondContact O-N 2.59Å
381	A	98.4	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	16%	0.163	C	C	.	.			trans	-54.5	155.3	178	0	0	0	0	0	113.5	C359 L362 V379 M405	C359-A381 VanDerWaalsContact O-CA 3.25Å; C359-A381 WeakPolarHBondContact O-CA 3.3Å; L362-A381 HydrophobicContact CB-CB 3.69Å; V379-A381 HydrophobicContact CG1-CB 4.16Å; A381-M405 WeakPolarHBondContact O-CE 3.46Å
382	K	98.4	Very high	97.4	Very high	90 Å²	90	37.3 Å²	37.3	39%	0.391	16%	0.163	S	C	.	.	S	Bend	trans	-99.3	-29.3	174.1	-61.7	-56.6	-174.1	-179	0	112.2	V276 L278 D360 L406	V276-K382 HydrophobicContact CB-CB 4.32Å; L278-K382 HydrophobicContact CD1-CB 3.7Å; L278-K382 HydrophobicContact CD1-CG 4.23Å; L278-K382 HydrophobicContact CD2-CG 4.23Å; L278-K382 HydrophobicContact CG-CB 4.09Å; L278-K382 HydrophobicContact CG-CG 4.16Å; D360-K382 PolarHBondContact O-N 3.03Å; K382-L406 PolarHBondContact O-N 2.67Å
383	I	98.8	Very high	97.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.7	177.6	-55.9	175.7	0	0	0	108.5	I267 M273 L278 D360 I361 L362 L406 I408	I267-I383 HydrophobicContact CD1-CD1 4.22Å; I267-I383 HydrophobicContact CG1-CD1 4.15Å; M273-I383 HydrophobicContact CE-CD1 3.8Å; M273-I383 HydrophobicContact SD-CD1 4.11Å; L278-I383 HydrophobicContact CD1-CD1 3.98Å; L278-I383 HydrophobicContact CD1-CG1 4.14Å; D360-I383 PolarHBondContact O-N 3.37Å; I361-I383 CarbonylContact C-O 3.58Å; I361-I383 WeakPolarHBondContact CA-O 3.11Å; I361-I383 HydrophobicContact CG1-CB 4.28Å; I361-I383 HydrophobicContact CG1-CD1 4.32Å; I361-I383 HydrophobicContact CG2-CB 4.32Å; I361-I383 HydrophobicContact CG2-CG2 4.24Å; L362-I383 PolarHBondContact N-O 3.5Å; I383-L406 CarbonylContact C-O 3.49Å; I383-L406 WeakPolarHBondContact CA-O 3.45Å; I383-L406 HydrophobicContact CG1-CB 4.38Å; I383-L406 HydrophobicContact CG1-CD2 4.4Å; I383-I408 HydrophobicContact CG2-CD1 3.94Å; I383-I408 HydrophobicContact CG2-CG1 4.29Å
384	I	98.9	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.4	168.7	-57.2	-178.4	0	0	0	107.5	L362 P364 L371 V379 E386 F400 M405 L406 V407 I408	L362-I384 WeakPolarHBondContact O-CA 3.41Å; P364-I384 HydrophobicContact CG-CG2 4.3Å; L371-I384 HydrophobicContact CD1-CD1 3.98Å; L371-I384 HydrophobicContact CD1-CG2 3.82Å; V379-I384 HydrophobicContact CG1-CD1 4.5Å; I384-E386 HydrophobicContact CG2-CG 4.35Å; I384-F400 HydrophobicContact CD1-CD1 3.93Å; I384-F400 HydrophobicContact CD1-CD2 3.54Å; I384-F400 HydrophobicContact CD1-CE1 3.7Å; I384-F400 HydrophobicContact CD1-CE2 3.28Å; I384-F400 HydrophobicContact CD1-CG 3.86Å; I384-F400 HydrophobicContact CD1-CZ 3.38Å; I384-M405 HydrophobicContact CD1-CE 3.51Å; I384-M405 HydrophobicContact CG1-CE 3.76Å; I384-L406 PolarHBondContact N-O 3.31Å; I384-V407 HydrophobicContact CB-CG2 4.31Å; I384-V407 HydrophobicContact CD1-CG2 4.33Å; I384-I408 PolarHBondContact O-N 3.42Å
385	A	98.8	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	94.5	-176.3	0	0	0	0	0	109.5	I263 I361 L362 I363 P364 G387 L413	I263-A385 HydrophobicContact CD1-CB 3.7Å; I263-A385 HydrophobicContact CG1-CB 3.81Å; I361-A385 HydrophobicContact CG2-CB 4.15Å; L362-A385 PolarHBondContact O-N 3.1Å; I363-A385 WeakPolarHBondContact CA-O 3.39Å; I363-A385 HydrophobicContact CG1-CB 4.14Å; P364-A385 WeakPolarHBondContact CD-O 3.48Å; A385-G387 PolarHBondContact O-N 3.26Å; A385-L413 VanDerWaalsContact CA-CD2 3.43Å; A385-L413 HydrophobicContact CB-CD2 3.59Å
386	E	98.8	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.			trans	-70.6	92.8	-174.3	-57.2	-169.2	144.7	0	0	113.2	I384 P391 T392 V407 I408 P409 D410 L413 R518	I384-E386 HydrophobicContact CG2-CG 4.35Å; E386-P391 HydrophobicContact CB-CG 3.72Å; E386-P391 HydrophobicContact CG-CG 3.67Å; E386-T392 WeakPolarHBondContact OE1-CB 3.33Å; E386-T392 PolarHBondContact OE1-OG1 3.04Å; E386-V407 HydrophobicContact CG-CG1 4.24Å; E386-I408 PolarHBondContact N-O 3.26Å; E386-P409 WeakPolarHBondContact OE2-CA 3.32Å; E386-D410 HydrophobicContact CB-CB 3.82Å; E386-D410 PolarHBondContact OE2-N 2.87Å; E386-L413 VanDerWaalsContact N-CD2 3.3Å; E386-R518 IonicContact OE1-CZ 3.32Å; E386-R518 IonicContact OE1-NH1 2.9Å; E386-R518 IonicContact OE1-NH2 3.11Å; E386-R518 PolarHBondContact OE1-NH2 2.86Å; E386-R518 IonicContact OE2-CZ 2.73Å; E386-R518 IonicContact OE2-NH1 3.11Å; E386-R518 PolarHBondContact OE2-NH1 3.18Å; E386-R518 IonicContact OE2-NH2 3.5Å; E386-R518 PolarHBondContact OE2-NH2 3.22Å; E386-R518 VanDerWaalsContact OE2-NH2 3.08Å
387	G	97.6	Very high	97.6	Very high	3 Å²	3	25 Å²	25	3%	0.031	11%	0.113	C	C	.	.			trans	-78.5	-35.7	173.3	0	0	0	0	0	113	P364 A385 N414	P364-G387 CarbonylContact O-C 3.59Å; P364-G387 WeakPolarHBondContact O-CA 3.37Å; P364-G387 PolarHBondContact O-N 3.34Å; A385-G387 PolarHBondContact O-N 3.26Å; G387-N414 WeakPolarHBondContact O-CB 3.2Å; G387-N414 PolarHBondContact O-ND2 3.32Å
388	A	96.1	Very high	97.5	Very high	7 Å²	7	24.3 Å²	24.3	6%	0.058	11%	0.106	C	C	.	.	S	Bend	trans	-76.3	169.2	172.4	0	0	0	0	0	111.6	P364 P391 D410 N414	P364-A388 PolarHBondContact O-N 3.33Å; A388-P391 HydrophobicContact CB-CB 4.23Å; A388-P391 HydrophobicContact CB-CG 4.39Å; A388-D410 VanDerWaalsContact O-CB 3.26Å; A388-D410 WeakPolarHBondContact O-CB 3.29Å; A388-N414 PolarHBondContact O-ND2 3.43Å; A388-N414 VanDerWaalsContact O-ND2 3.08Å
389	N	96.4	Very high	97.6	Very high	21 Å²	21	18.4 Å²	18.4	11%	0.112	8%	0.083	C	C	.	.	S	Bend	trans	-91.2	127.8	172.7	-63.6	-69.2	0	0	0	109.5	L147 L150 K154 E368 P391 N414	L147-N389 HydrophobicContact CD2-CB 3.53Å; L150-N389 HydrophobicContact CD1-CB 4.19Å; K154-N389 PolarHBondContact NZ-OD1 2.84Å; E368-N389 VanDerWaalsContact CB-O 3.32Å; E368-N389 WeakPolarHBondContact CB-O 3.38Å; N389-P391 VanDerWaalsContact C-CD 3.41Å; N389-N414 PolarHBondContact OD1-ND2 2.75Å
390	G	96.4	Very high	97.6	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	54.3	40.4	180	0	0	0	0	0	116.1	E368 K369 T392 D410	E368-G390 CarbonylContact C-O 3.56Å; E368-G390 WeakPolarHBondContact CA-O 3.36Å; E368-G390 WeakPolarHBondContact CB-O 3.42Å; K369-G390 PolarHBondContact N-O 3.24Å; G390-T392 PolarHBondContact O-N 3.5Å; G390-D410 PolarHBondContact N-OD2 2.74Å
391	P	97.6	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.			trans	-68.3	-18.5	-179.2	30.2	-34.8	0	0	0	113.2	P364 K369 Q370 L371 E386 A388 N389	P364-P391 HydrophobicContact CB-CB 3.67Å; P364-P391 HydrophobicContact CB-CG 4.16Å; P364-P391 HydrophobicContact CG-CB 3.77Å; P364-P391 HydrophobicContact CG-CG 3.74Å; K369-P391 CarbonylContact C-O 3.54Å; Q370-P391 PolarHBondContact N-O 2.9Å; L371-P391 PolarHBondContact N-O 2.9Å; E386-P391 HydrophobicContact CB-CG 3.72Å; E386-P391 HydrophobicContact CG-CG 3.67Å; A388-P391 HydrophobicContact CB-CB 4.23Å; A388-P391 HydrophobicContact CB-CG 4.39Å; N389-P391 VanDerWaalsContact C-CD 3.41Å
392	T	98	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-113.9	129.8	-175.9	-50.9	0	0	0	0	111.4	L371 E386 G390 A396 D397 F400	L371-T392 HydrophobicContact CB-CG2 4.22Å; L371-T392 WeakPolarHBondContact O-CA 3.44Å; E386-T392 WeakPolarHBondContact OE1-CB 3.33Å; E386-T392 PolarHBondContact OE1-OG1 3.04Å; G390-T392 PolarHBondContact O-N 3.5Å; T392-A396 HydrophobicContact CG2-CB 3.62Å; T392-D397 HydrophobicContact CG2-CB 4.28Å; T392-F400 HydrophobicContact CG2-CD2 3.93Å; T392-F400 HydrophobicContact CG2-CE2 3.62Å
393	T	97.7	Very high	97.5	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	10%	0.096	C	C	.	.			trans	-78	157.7	174.2	69	0	0	0	0	111.7	P47 M52 K369 L371 T372 E395 A396 D397	P47-T393 HydrophobicContact CG-CG2 4.31Å; M52-T393 HydrophobicContact SD-CG2 4.41Å; K369-T393 HydrophobicContact CB-CG2 4.17Å; K369-T393 HydrophobicContact CG-CG2 4.18Å; L371-T393 PolarHBondContact O-N 3.09Å; L371-T393 PolarHBondContact O-OG1 3.26Å; T372-T393 HydrophobicContact CG2-CG2 4.11Å; T393-E395 VanDerWaalsContact C-N 3.27Å; T393-E395 PolarHBondContact O-N 2.95Å; T393-A396 WeakPolarHBondContact O-CB 3.48Å; T393-A396 PolarHBondContact O-N 3.01Å; T393-A396 VanDerWaalsContact O-N 3.09Å; T393-A396 PolarHBondContact OG1-N 3.48Å; T393-D397 PolarHBondContact O-N 2.94Å
394	P	96	Very high	97.4	Very high	7 Å²	7	25.9 Å²	25.9	5%	0.045	12%	0.121	C	C	.	.	H	α-helix	trans	-50.3	-41.6	174.7	-34.1	38.2	0	0	0	114.6	Y37 M52 F56 D397 R398	Y37-P394 HydrophobicContact CD1-CB 3.71Å; Y37-P394 HydrophobicContact CD1-CG 4.31Å; Y37-P394 HydrophobicContact CD2-CB 3.93Å; Y37-P394 HydrophobicContact CE1-CB 3.59Å; Y37-P394 HydrophobicContact CE1-CG 4.27Å; Y37-P394 HydrophobicContact CE2-CB 3.83Å; Y37-P394 WeakPolarHBondContact CE2-O 3.49Å; Y37-P394 HydrophobicContact CG-CB 3.88Å; Y37-P394 PolarHBondContact OH-O 3.32Å; M52-P394 HydrophobicContact CG-CG 3.66Å; F56-P394 HydrophobicContact CE1-CB 4.24Å; F56-P394 HydrophobicContact CE1-CG 3.87Å; F56-P394 HydrophobicContact CZ-CG 3.8Å; P394-D397 WeakPolarHBondContact O-CB 3.26Å; P394-D397 PolarHBondContact O-N 3.43Å; P394-R398 PolarHBondContact O-N 3.33Å
395	E	95.3	Very high	97.4	Very high	42 Å²	42	26 Å²	26	20%	0.196	12%	0.122	C	C	.	.	H	α-helix	trans	-69.7	-37.2	178.7	-69.7	-53.8	137.1	0	0	112.4	Q373 T393 R398 I399	Q373-E395 HydrophobicContact CB-CB 4.02Å; Q373-E395 HydrophobicContact CG-CB 4.31Å; T393-E395 VanDerWaalsContact C-N 3.27Å; T393-E395 PolarHBondContact O-N 2.95Å; E395-R398 PolarHBondContact O-N 3.44Å; E395-R398 IonicContact OE2-CZ 3.65Å; E395-R398 IonicContact OE2-NE 2.71Å; E395-R398 PolarHBondContact OE2-NE 3.26Å; E395-R398 IonicContact OE2-NH2 3.77Å; E395-R398 PolarHBondContact OE2-NH2 3.16Å; E395-I399 WeakPolarHBondContact O-CD1 3.38Å; E395-I399 WeakPolarHBondContact O-CG1 3.48Å; E395-I399 PolarHBondContact O-N 3.24Å; E395-I399 VanDerWaalsContact O-N 3.11Å
396	A	97.4	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-42.7	172.4	0	0	0	0	0	111.6	L371 A376 T392 T393 R398 I399 F400	L371-A396 HydrophobicContact CB-CB 4.45Å; L371-A396 VanDerWaalsContact O-CB 3.31Å; L371-A396 WeakPolarHBondContact O-CB 3.47Å; A376-A396 HydrophobicContact CB-CB 3.79Å; T392-A396 HydrophobicContact CG2-CB 3.62Å; T393-A396 WeakPolarHBondContact O-CB 3.48Å; T393-A396 PolarHBondContact O-N 3.01Å; T393-A396 VanDerWaalsContact O-N 3.09Å; T393-A396 PolarHBondContact OG1-N 3.48Å; A396-R398 VanDerWaalsContact C-N 3.31Å; A396-R398 PolarHBondContact O-N 3.39Å; A396-I399 PolarHBondContact O-N 3.46Å; A396-I399 VanDerWaalsContact O-N 3.15Å; A396-F400 HydrophobicContact CB-CD2 4.47Å; A396-F400 HydrophobicContact CB-CE2 3.95Å; A396-F400 HydrophobicContact CB-CZ 4.37Å; A396-F400 WeakPolarHBondContact O-CD2 3.49Å; A396-F400 WeakPolarHBondContact O-CG 3.15Å; A396-F400 PolarHBondContact O-N 3.07Å
397	D	97.3	Very high	97.3	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-42.5	176.1	-162.1	86.8	0	0	0	111.2	Y37 T392 T393 P394 F400 L401 R518	Y37-D397 PolarHBondContact OH-OD2 3.45Å; T392-D397 HydrophobicContact CG2-CB 4.28Å; T393-D397 PolarHBondContact O-N 2.94Å; P394-D397 WeakPolarHBondContact O-CB 3.26Å; P394-D397 PolarHBondContact O-N 3.43Å; D397-F400 PolarHBondContact O-N 3.01Å; D397-L401 WeakPolarHBondContact O-CG 3.33Å; D397-L401 PolarHBondContact O-N 3.3Å; D397-R518 IonicContact OD1-CZ 2.7Å; D397-R518 IonicContact OD1-NE 3.47Å; D397-R518 PolarHBondContact OD1-NE 2.68Å; D397-R518 IonicContact OD1-NH2 2.89Å; D397-R518 PolarHBondContact OD1-NH2 3.05Å; D397-R518 VanDerWaalsContact OD1-NH2 3.11Å
398	R	96.9	Very high	97.4	Very high	91 Å²	91	26.2 Å²	26.2	34%	0.343	12%	0.123	S	C	.	.	H	α-helix	trans	-59.3	-47.9	172.9	-174.1	179.3	66.7	84.3	-3.1	112.4	Y37 P394 E395 A396 F400 L401 E402	Y37-R398 HydrophobicContact CE2-CB 4.47Å; P394-R398 PolarHBondContact O-N 3.33Å; E395-R398 PolarHBondContact O-N 3.44Å; E395-R398 IonicContact OE2-CZ 3.65Å; E395-R398 IonicContact OE2-NE 2.71Å; E395-R398 PolarHBondContact OE2-NE 3.26Å; E395-R398 IonicContact OE2-NH2 3.77Å; E395-R398 PolarHBondContact OE2-NH2 3.16Å; A396-R398 VanDerWaalsContact C-N 3.31Å; A396-R398 PolarHBondContact O-N 3.39Å; R398-F400 VanDerWaalsContact C-N 3.32Å; R398-F400 PolarHBondContact O-N 3.43Å; R398-L401 PolarHBondContact O-N 3.14Å; R398-E402 IonicContact CZ-OE1 3.08Å; R398-E402 IonicContact NH1-OE1 3.73Å; R398-E402 PolarHBondContact NH1-OE1 3.39Å; R398-E402 IonicContact NH1-OE2 2.74Å; R398-E402 WeakPolarHBondContact O-CG 3.08Å; R398-E402 PolarHBondContact O-N 3.09Å; R398-E402 VanDerWaalsContact O-N 3.08Å
399	I	98.2	Very high	97.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-40.8	178.6	-67.6	160.5	0	0	0	110.9	Q373 A376 H377 E395 A396 E402 R403	Q373-I399 HydrophobicContact CG-CD1 4.01Å; A376-I399 HydrophobicContact CB-CB 4.05Å; A376-I399 HydrophobicContact CB-CD1 3.88Å; A376-I399 HydrophobicContact CB-CG2 3.93Å; H377-I399 VanDerWaalsContact NE2-CD1 3.26Å; H377-I399 WeakPolarHBondContact NE2-CD1 3.25Å; E395-I399 WeakPolarHBondContact O-CD1 3.38Å; E395-I399 WeakPolarHBondContact O-CG1 3.48Å; E395-I399 PolarHBondContact O-N 3.24Å; E395-I399 VanDerWaalsContact O-N 3.11Å; A396-I399 PolarHBondContact O-N 3.46Å; A396-I399 VanDerWaalsContact O-N 3.15Å; I399-E402 PolarHBondContact O-N 3.19Å; I399-R403 HydrophobicContact CG2-CG 4.44Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 VanDerWaalsContact O-CG 3.27Å; I399-R403 WeakPolarHBondContact O-CG 3.26Å; I399-R403 PolarHBondContact O-N 3.32Å
400	F	98.4	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-38.9	178.7	-64.3	-35.3	0	0	0	112.5	L371 A376 V379 I384 T392 A396 D397 R398 R403 N404 M405 V407	L371-F400 HydrophobicContact CB-CE2 4.13Å; L371-F400 HydrophobicContact CB-CZ 4.16Å; L371-F400 HydrophobicContact CD1-CE2 4.03Å; L371-F400 HydrophobicContact CD1-CZ 4.12Å; A376-F400 HydrophobicContact CB-CD1 4.36Å; A376-F400 HydrophobicContact CB-CE1 3.65Å; A376-F400 HydrophobicContact CB-CE2 4.46Å; A376-F400 HydrophobicContact CB-CZ 3.71Å; A376-F400 WeakPolarHBondContact O-CE1 3.38Å; V379-F400 HydrophobicContact CB-CE1 4.03Å; V379-F400 HydrophobicContact CG1-CE1 4.47Å; V379-F400 HydrophobicContact CG2-CE1 4.03Å; V379-F400 HydrophobicContact CG2-CZ 4.1Å; I384-F400 HydrophobicContact CD1-CD1 3.93Å; I384-F400 HydrophobicContact CD1-CD2 3.54Å; I384-F400 HydrophobicContact CD1-CE1 3.7Å; I384-F400 HydrophobicContact CD1-CE2 3.28Å; I384-F400 HydrophobicContact CD1-CG 3.86Å; I384-F400 HydrophobicContact CD1-CZ 3.38Å; T392-F400 HydrophobicContact CG2-CD2 3.93Å; T392-F400 HydrophobicContact CG2-CE2 3.62Å; A396-F400 HydrophobicContact CB-CD2 4.47Å; A396-F400 HydrophobicContact CB-CE2 3.95Å; A396-F400 HydrophobicContact CB-CZ 4.37Å; A396-F400 WeakPolarHBondContact O-CD2 3.49Å; A396-F400 WeakPolarHBondContact O-CG 3.15Å; A396-F400 PolarHBondContact O-N 3.07Å; D397-F400 PolarHBondContact O-N 3.01Å; R398-F400 VanDerWaalsContact C-N 3.32Å; R398-F400 PolarHBondContact O-N 3.43Å; F400-R403 CarbonylContact O-C 3.2Å; F400-R403 PolarHBondContact O-N 3.07Å; F400-N404 PolarHBondContact O-N 3.21Å; F400-M405 HydrophobicContact CB-CB 4.1Å; F400-M405 HydrophobicContact CD1-CE 3.63Å; F400-M405 HydrophobicContact CD1-SD 3.59Å; F400-M405 VanDerWaalsContact CD1-SD 3.59Å; F400-M405 HydrophobicContact CE1-CE 3.9Å; F400-M405 HydrophobicContact CE1-SD 4.19Å; F400-M405 HydrophobicContact CG-CE 4.33Å; F400-M405 HydrophobicContact CG-SD 4.45Å; F400-M405 PolarHBondContact O-N 2.7Å; F400-V407 HydrophobicContact CB-CG2 3.83Å; F400-V407 HydrophobicContact CD2-CG2 3.86Å; F400-V407 HydrophobicContact CG-CG2 4.18Å
401	L	97.2	Very high	97.5	Very high	45 Å²	45	24.9 Å²	24.9	24%	0.236	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-44.7	172.9	-70.5	172.8	0	0	0	112	D397 R398 R403 N404 L515 D516	D397-L401 WeakPolarHBondContact O-CG 3.33Å; D397-L401 PolarHBondContact O-N 3.3Å; R398-L401 PolarHBondContact O-N 3.14Å; L401-R403 PolarHBondContact O-N 3.21Å; L401-N404 PolarHBondContact O-N 3.43Å; L401-N404 VanDerWaalsContact O-N 3.15Å; L401-L515 HydrophobicContact CD2-CB 4.26Å; L401-D516 HydrophobicContact CD1-CB 4.19Å; L401-D516 HydrophobicContact CD2-CB 3.92Å
402	E	97.5	Very high	97.6	Very high	120 Å²	120	24.9 Å²	24.9	56%	0.561	11%	0.114	S	C	*	.	H	α-helix	trans	-61.3	-30.1	176.6	-72	170.8	-168	0	0	112.5	R398 I399	R398-E402 IonicContact CZ-OE1 3.08Å; R398-E402 IonicContact NH1-OE1 3.73Å; R398-E402 PolarHBondContact NH1-OE1 3.39Å; R398-E402 IonicContact NH1-OE2 2.74Å; R398-E402 WeakPolarHBondContact O-CG 3.08Å; R398-E402 PolarHBondContact O-N 3.09Å; R398-E402 VanDerWaalsContact O-N 3.08Å; I399-E402 PolarHBondContact O-N 3.19Å
403	R	97.4	Very high	97.6	Very high	97 Å²	97	24.9 Å²	24.9	37%	0.366	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.9	179.5	-65.1	178.6	72.3	-151.8	-5.1	114	A376 H377 V379 I399 F400 L401 M405	A376-R403 PolarHBondContact O-NH1 2.85Å; H377-R403 PolarHBondContact O-NH1 3.12Å; V379-R403 VanDerWaalsContact O-CZ 3.29Å; V379-R403 PolarHBondContact O-NH1 3.36Å; V379-R403 PolarHBondContact O-NH2 3.37Å; I399-R403 HydrophobicContact CG2-CG 4.44Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 VanDerWaalsContact O-CG 3.27Å; I399-R403 WeakPolarHBondContact O-CG 3.26Å; I399-R403 PolarHBondContact O-N 3.32Å; F400-R403 CarbonylContact O-C 3.2Å; F400-R403 PolarHBondContact O-N 3.07Å; L401-R403 PolarHBondContact O-N 3.21Å; R403-M405 VanDerWaalsContact C-N 3.27Å; R403-M405 HydrophobicContact CB-CG 4.17Å; R403-M405 HydrophobicContact CB-SD 4.22Å; R403-M405 PolarHBondContact O-N 3.16Å
404	N	97.1	Very high	97.6	Very high	100 Å²	100	25.1 Å²	25.1	54%	0.535	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	42.5	-176.2	-65.2	-58.2	0	0	0	113.2	V276 F400 L401 L515	V276-N404 WeakPolarHBondContact CG1-O 3.46Å; F400-N404 PolarHBondContact O-N 3.21Å; L401-N404 PolarHBondContact O-N 3.43Å; L401-N404 VanDerWaalsContact O-N 3.15Å; N404-L515 HydrophobicContact CB-CD1 4.34Å
405	M	98.4	Very high	97.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	11%	0.113	C	C	.	.			trans	-94.8	141.2	174.1	-65.7	176.7	52	0	0	110.2	V379 A381 I384 F400 R403 V407	V379-M405 HydrophobicContact CB-CE 4.41Å; V379-M405 HydrophobicContact CG1-CE 3.79Å; A381-M405 WeakPolarHBondContact O-CE 3.46Å; I384-M405 HydrophobicContact CD1-CE 3.51Å; I384-M405 HydrophobicContact CG1-CE 3.76Å; F400-M405 HydrophobicContact CB-CB 4.1Å; F400-M405 HydrophobicContact CD1-CE 3.63Å; F400-M405 HydrophobicContact CD1-SD 3.59Å; F400-M405 VanDerWaalsContact CD1-SD 3.59Å; F400-M405 HydrophobicContact CE1-CE 3.9Å; F400-M405 HydrophobicContact CE1-SD 4.19Å; F400-M405 HydrophobicContact CG-CE 4.33Å; F400-M405 HydrophobicContact CG-SD 4.45Å; F400-M405 PolarHBondContact O-N 2.7Å; R403-M405 VanDerWaalsContact C-N 3.27Å; R403-M405 HydrophobicContact CB-CG 4.17Å; R403-M405 HydrophobicContact CB-SD 4.22Å; R403-M405 PolarHBondContact O-N 3.16Å; M405-V407 PolarHBondContact O-N 3Å
406	L	98.6	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.7	177.7	177.9	64.8	0	0	0	109.9	F266 F272 M273 V276 K382 I383 I384 I408 L515 L517	F266-L406 HydrophobicContact CB-CD2 4.16Å; F272-L406 HydrophobicContact CB-CD2 4.44Å; F272-L406 HydrophobicContact CD1-CD1 3.97Å; F272-L406 HydrophobicContact CE1-CD1 4.47Å; M273-L406 HydrophobicContact CE-CD2 3.87Å; V276-L406 HydrophobicContact CG1-CB 3.7Å; K382-L406 PolarHBondContact O-N 2.67Å; I383-L406 CarbonylContact C-O 3.49Å; I383-L406 WeakPolarHBondContact CA-O 3.45Å; I383-L406 HydrophobicContact CG1-CB 4.38Å; I383-L406 HydrophobicContact CG1-CD2 4.4Å; I384-L406 PolarHBondContact N-O 3.31Å; L406-I408 HydrophobicContact CD2-CG1 4.31Å; L406-I408 HydrophobicContact CG-CG1 4.12Å; L406-L515 HydrophobicContact CD1-CD2 4.17Å; L406-L517 HydrophobicContact CD1-CD1 3.54Å; L406-L517 HydrophobicContact CD1-CG 3.98Å; L406-L517 HydrophobicContact CG-CD1 4.47Å
407	V	98.8	Very high	97.8	Very high	7 Å²	7	23 Å²	23	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.7	171.4	-174.5	0	0	0	0	108.8	I384 E386 F400 M405 P409	I384-V407 HydrophobicContact CB-CG2 4.31Å; I384-V407 HydrophobicContact CD1-CG2 4.33Å; E386-V407 HydrophobicContact CG-CG1 4.24Å; F400-V407 HydrophobicContact CB-CG2 3.83Å; F400-V407 HydrophobicContact CD2-CG2 3.86Å; F400-V407 HydrophobicContact CG-CG2 4.18Å; M405-V407 PolarHBondContact O-N 3Å; V407-P409 WeakPolarHBondContact O-CD 3.19Å
408	I	98.8	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.7	173.5	-50.5	177.2	0	0	0	107.5	I263 F266 I383 I384 E386 L406 Y412 L413 L517	I263-I408 HydrophobicContact CG1-CD1 4.32Å; F266-I408 HydrophobicContact CB-CD1 4.1Å; F266-I408 HydrophobicContact CD2-CD1 4.1Å; F266-I408 HydrophobicContact CD2-CG1 4.36Å; F266-I408 HydrophobicContact CD2-CG2 4.1Å; F266-I408 HydrophobicContact CE2-CG2 4.13Å; F266-I408 HydrophobicContact CG-CD1 4.37Å; I383-I408 HydrophobicContact CG2-CD1 3.94Å; I383-I408 HydrophobicContact CG2-CG1 4.29Å; I384-I408 PolarHBondContact O-N 3.42Å; E386-I408 PolarHBondContact N-O 3.26Å; L406-I408 HydrophobicContact CD2-CG1 4.31Å; L406-I408 HydrophobicContact CG-CG1 4.12Å; I408-Y412 HydrophobicContact CG2-CD1 3.84Å; I408-Y412 HydrophobicContact CG2-CE1 4.13Å; I408-L413 HydrophobicContact CB-CD2 4.18Å; I408-L413 HydrophobicContact CG2-CB 4.16Å; I408-L413 HydrophobicContact CG2-CD1 3.9Å; I408-L413 HydrophobicContact CG2-CD2 4.13Å; I408-L413 HydrophobicContact CG2-CG 4.29Å; I408-L517 HydrophobicContact CG1-CD1 4.42Å
409	P	98.6	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.			trans	-74.6	145	-162.4	30.4	-37.9	0	0	0	112.9	E386 V407 M411 Y412 L413 L517 R518 A521	E386-P409 WeakPolarHBondContact OE2-CA 3.32Å; V407-P409 WeakPolarHBondContact O-CD 3.19Å; P409-M411 VanDerWaalsContact C-N 3.34Å; P409-M411 PolarHBondContact O-N 3.34Å; P409-Y412 PolarHBondContact O-N 3.44Å; P409-L413 WeakPolarHBondContact O-CB 3.49Å; P409-L413 PolarHBondContact O-N 2.95Å; P409-L517 HydrophobicContact CG-CB 4.27Å; P409-R518 HydrophobicContact CB-CB 3.97Å; P409-R518 HydrophobicContact CB-CG 4.12Å; P409-A521 HydrophobicContact CG-CB 4.17Å
410	D	97.9	Very high	98	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-49.5	-45.5	-179.4	63.3	-20.7	0	0	0	114.6	E386 A388 G390 Y412 L413 N414 R518	E386-D410 HydrophobicContact CB-CB 3.82Å; E386-D410 PolarHBondContact OE2-N 2.87Å; A388-D410 VanDerWaalsContact O-CB 3.26Å; A388-D410 WeakPolarHBondContact O-CB 3.29Å; G390-D410 PolarHBondContact N-OD2 2.74Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 VanDerWaalsContact O-N 3.13Å; D410-L413 PolarHBondContact O-N 3.26Å; D410-N414 PolarHBondContact O-N 3.5Å; D410-N414 VanDerWaalsContact O-N 3.14Å; D410-N414 PolarHBondContact O-ND2 3.22Å; D410-N414 PolarHBondContact O-OD1 3.16Å; D410-R518 IonicContact OD1-NH1 2.94Å; D410-R518 PolarHBondContact OD1-NH1 3.39Å
411	M	94.5	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-22.4	-178.6	-59.4	-171	-59.7	0	0	113.6	L150 Y153 K154 I157 P409 A521 Y522	L150-M411 HydrophobicContact CD2-CG 3.69Å; L150-M411 HydrophobicContact CD2-SD 3.99Å; Y153-M411 WeakPolarHBondContact CB-SD 3.45Å; Y153-M411 HydrophobicContact CD2-SD 4.11Å; Y153-M411 HydrophobicContact CG-SD 4.23Å; K154-M411 WeakPolarHBondContact CA-O 3.43Å; K154-M411 HydrophobicContact CB-CB 4.4Å; K154-M411 VanDerWaalsContact CG-O 3.31Å; K154-M411 WeakPolarHBondContact CG-O 3.33Å; I157-M411 HydrophobicContact CD1-CB 3.52Å; I157-M411 HydrophobicContact CD1-CE 3.8Å; I157-M411 HydrophobicContact CD1-SD 4.26Å; P409-M411 VanDerWaalsContact C-N 3.34Å; P409-M411 PolarHBondContact O-N 3.34Å; M411-A521 HydrophobicContact CE-CB 4.15Å; M411-Y522 HydrophobicContact CE-CD1 3.92Å; M411-Y522 HydrophobicContact CE-CD2 3.21Å; M411-Y522 HydrophobicContact CE-CE1 3.84Å; M411-Y522 HydrophobicContact CE-CE2 3.04Å; M411-Y522 HydrophobicContact CE-CG 3.63Å; M411-Y522 VanDerWaalsContact CE-CZ 3.4Å; M411-Y522 HydrophobicContact SD-CD1 4.28Å; M411-Y522 HydrophobicContact SD-CD2 4.3Å; M411-Y522 HydrophobicContact SD-CE1 3.7Å; M411-Y522 HydrophobicContact SD-CE2 3.67Å
412	Y	98.7	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-93.9	-54.4	170	165.4	-109.2	0	0	0	109.9	I157 G262 F266 I408 P409 D410 N414 A415 M497 A501 I504	I157-Y412 HydrophobicContact CG2-CD2 4.2Å; G262-Y412 WeakPolarHBondContact CA-OH 3.44Å; F266-Y412 HydrophobicContact CD2-CE1 4.35Å; F266-Y412 HydrophobicContact CE2-CD1 4.18Å; F266-Y412 AromaticContact CE2-CE1 3.67Å; F266-Y412 HydrophobicContact CE2-CE1 3.67Å; I408-Y412 HydrophobicContact CG2-CD1 3.84Å; I408-Y412 HydrophobicContact CG2-CE1 4.13Å; P409-Y412 PolarHBondContact O-N 3.44Å; D410-Y412 PolarHBondContact O-N 2.96Å; D410-Y412 VanDerWaalsContact O-N 3.13Å; Y412-N414 PolarHBondContact O-N 3.47Å; Y412-A415 WeakPolarHBondContact O-CB 3.47Å; Y412-A415 PolarHBondContact O-N 3.33Å; Y412-A415 VanDerWaalsContact O-N 3.16Å; Y412-M497 HydrophobicContact CD2-CE 4.19Å; Y412-M497 HydrophobicContact CE1-CE 4.08Å; Y412-M497 HydrophobicContact CE2-CE 3.67Å; Y412-M497 WeakPolarHBondContact CE2-O 3.08Å; Y412-M497 HydrophobicContact CE2-SD 4.44Å; Y412-M497 WeakPolarHBondContact O-CE 3.23Å; Y412-M497 PolarHBondContact OH-O 3.44Å; Y412-A501 HydrophobicContact CE2-CB 4.26Å; Y412-A501 VanDerWaalsContact OH-CB 3.26Å; Y412-A501 WeakPolarHBondContact OH-CB 3.26Å; Y412-I504 HydrophobicContact CD1-CD1 4.33Å; Y412-I504 HydrophobicContact CD2-CD1 3.72Å; Y412-I504 HydrophobicContact CE2-CD1 4.47Å; Y412-I504 HydrophobicContact CG-CD1 3.63Å
413	L	98.6	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-160.3	-169	59.6	0	0	0	113.7	G258 V259 I263 A385 E386 I408 P409 D410 A415	G258-L413 CarbonylContact C-O 3.47Å; V259-L413 HydrophobicContact CB-CG 4.32Å; V259-L413 HydrophobicContact CG1-CD1 4.38Å; V259-L413 HydrophobicContact CG1-CD2 4.1Å; V259-L413 HydrophobicContact CG1-CG 4.12Å; V259-L413 HydrophobicContact CG2-CG 4.18Å; V259-L413 PolarHBondContact N-O 2.9Å; V259-L413 WeakPolarHBondContact O-CD1 3.38Å; I263-L413 HydrophobicContact CG1-CD1 4.38Å; A385-L413 VanDerWaalsContact CA-CD2 3.43Å; A385-L413 HydrophobicContact CB-CD2 3.59Å; E386-L413 VanDerWaalsContact N-CD2 3.3Å; I408-L413 HydrophobicContact CB-CD2 4.18Å; I408-L413 HydrophobicContact CG2-CB 4.16Å; I408-L413 HydrophobicContact CG2-CD1 3.9Å; I408-L413 HydrophobicContact CG2-CD2 4.13Å; I408-L413 HydrophobicContact CG2-CG 4.29Å; P409-L413 WeakPolarHBondContact O-CB 3.49Å; P409-L413 PolarHBondContact O-N 2.95Å; D410-L413 PolarHBondContact O-N 3.26Å; L413-A415 VanDerWaalsContact C-N 3.33Å
414	N	97.7	Very high	98.2	Very high	8 Å²	8	10.2 Å²	10.2	4%	0.043	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	8.2	-179.8	73.8	33.5	0	0	0	113	K154 T255 G387 A388 N389 D410 Y412 G416 G417	K154-N414 WeakPolarHBondContact CE-OD1 3.44Å; K154-N414 PolarHBondContact NZ-OD1 2.95Å; T255-N414 HydrophobicContact CG2-CB 3.93Å; G387-N414 WeakPolarHBondContact O-CB 3.2Å; G387-N414 PolarHBondContact O-ND2 3.32Å; A388-N414 PolarHBondContact O-ND2 3.43Å; A388-N414 VanDerWaalsContact O-ND2 3.08Å; N389-N414 PolarHBondContact OD1-ND2 2.75Å; D410-N414 PolarHBondContact O-N 3.5Å; D410-N414 VanDerWaalsContact O-N 3.14Å; D410-N414 PolarHBondContact O-ND2 3.22Å; D410-N414 PolarHBondContact O-OD1 3.16Å; Y412-N414 PolarHBondContact O-N 3.47Å; N414-G416 PolarHBondContact O-N 2.96Å; N414-G417 PolarHBondContact O-N 3.39Å
415	A	98.2	Very high	98.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16	-178.5	0	0	0	0	0	113.9	K154 V158 Y412 L413 G417 V418 T419	K154-A415 HydrophobicContact CD-CB 4.26Å; K154-A415 HydrophobicContact CG-CB 3.72Å; V158-A415 HydrophobicContact CB-CB 4.28Å; V158-A415 HydrophobicContact CG1-CB 3.42Å; V158-A415 VanDerWaalsContact CG1-CB 3.42Å; V158-A415 HydrophobicContact CG2-CB 3.9Å; Y412-A415 WeakPolarHBondContact O-CB 3.47Å; Y412-A415 PolarHBondContact O-N 3.33Å; Y412-A415 VanDerWaalsContact O-N 3.16Å; L413-A415 VanDerWaalsContact C-N 3.33Å; A415-G417 PolarHBondContact O-N 2.92Å; A415-G417 VanDerWaalsContact O-N 3.11Å; A415-V418 HydrophobicContact CB-CG1 4.36Å; A415-V418 WeakPolarHBondContact O-CG1 3.34Å; A415-V418 PolarHBondContact O-N 2.98Å; A415-T419 PolarHBondContact O-N 2.86Å; A415-T419 PolarHBondContact O-OG1 3.47Å
416	G	97.6	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.3	-30.9	176.8	0	0	0	0	0	114.1	N414 V420 L493	N414-G416 PolarHBondContact O-N 2.96Å; G416-V420 WeakPolarHBondContact O-CG2 3.14Å; G416-V420 PolarHBondContact O-N 3.49Å; G416-L493 VanDerWaalsContact CA-CD1 3.4Å
417	G	97.6	Very high	98.2	Very high	4 Å²	4	10 Å²	10	4%	0.041	5%	0.046	C	C	.	.	H	α-helix	trans	-63.5	-41.9	173.7	0	0	0	0	0	113.1	R251 T255 N414 A415 S421	R251-G417 PolarHBondContact NE-O 3Å; R251-G417 VanDerWaalsContact NE-O 3.14Å; R251-G417 PolarHBondContact NH2-O 2.78Å; T255-G417 WeakPolarHBondContact OG1-CA 3.01Å; N414-G417 PolarHBondContact O-N 3.39Å; A415-G417 PolarHBondContact O-N 2.92Å; A415-G417 VanDerWaalsContact O-N 3.11Å; G417-S421 WeakPolarHBondContact O-CB 3.28Å; G417-S421 PolarHBondContact O-N 2.78Å; G417-S421 VanDerWaalsContact O-N 3.09Å; G417-S421 PolarHBondContact O-OG 2.92Å
418	V	98.4	Very high	98.2	Very high	9 Å²	9	10.5 Å²	10.5	6%	0.055	5%	0.049	C	C	.	.	H	α-helix	trans	-77.2	-35.1	178.7	71.5	0	0	0	0	111.9	K130 M151 K154 V158 V160 A415 S421 Y422	K130-V418 HydrophobicContact CG-CG2 3.86Å; M151-V418 HydrophobicContact CE-CB 4.04Å; M151-V418 HydrophobicContact CE-CG2 3.76Å; K154-V418 HydrophobicContact CD-CG1 4.07Å; K154-V418 HydrophobicContact CG-CG1 4.07Å; V158-V418 HydrophobicContact CG2-CG1 4.19Å; V160-V418 HydrophobicContact CG1-CG2 4.41Å; A415-V418 HydrophobicContact CB-CG1 4.36Å; A415-V418 WeakPolarHBondContact O-CG1 3.34Å; A415-V418 PolarHBondContact O-N 2.98Å; V418-S421 WeakPolarHBondContact O-CB 3.39Å; V418-S421 PolarHBondContact O-N 3.34Å; V418-Y422 PolarHBondContact O-N 2.81Å
419	T	98.8	Very high	98.2	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-46.7	174.7	-56.5	0	0	0	0	111.6	A415 Y422 F423 L493 T496	A415-T419 PolarHBondContact O-N 2.86Å; A415-T419 PolarHBondContact O-OG1 3.47Å; T419-Y422 WeakPolarHBondContact O-CB 3.16Å; T419-Y422 PolarHBondContact O-N 2.9Å; T419-F423 HydrophobicContact CG2-CE1 4.18Å; T419-F423 HydrophobicContact CG2-CE2 3.93Å; T419-F423 HydrophobicContact CG2-CZ 3.59Å; T419-F423 WeakPolarHBondContact O-CG 3.44Å; T419-F423 PolarHBondContact O-N 3Å; T419-F423 VanDerWaalsContact O-N 3.16Å; T419-L493 HydrophobicContact CG2-CD1 4.19Å; T419-T496 HydrophobicContact CG2-CG2 4.11Å
420	V	98.6	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-76.1	-29.9	178.6	-178.9	0	0	0	0	111.9	I248 R251 A254 G416 Y422 F423 E424 V489 L493	I248-V420 HydrophobicContact CG2-CG1 3.61Å; R251-V420 HydrophobicContact CB-CG1 4.13Å; A254-V420 HydrophobicContact CB-CB 3.57Å; A254-V420 HydrophobicContact CB-CG1 4.04Å; A254-V420 HydrophobicContact CB-CG2 3.49Å; A254-V420 VanDerWaalsContact CB-CG2 3.49Å; G416-V420 WeakPolarHBondContact O-CG2 3.14Å; G416-V420 PolarHBondContact O-N 3.49Å; V420-Y422 VanDerWaalsContact C-N 3.26Å; V420-Y422 PolarHBondContact O-N 3.5Å; V420-F423 HydrophobicContact CG2-CD2 4.27Å; V420-F423 HydrophobicContact CG2-CE2 4.5Å; V420-F423 PolarHBondContact O-N 3.37Å; V420-E424 PolarHBondContact O-N 3.06Å; V420-V489 HydrophobicContact CG1-CG1 3.82Å; V420-V489 HydrophobicContact CG1-CG2 4.41Å; V420-V489 HydrophobicContact CG2-CG1 3.85Å; V420-L493 HydrophobicContact CG2-CB 4.38Å; V420-L493 HydrophobicContact CG2-CD2 4.15Å
421	S	98.6	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-35.8	166.9	-85.2	0	0	0	0	112.1	T239 R251 G417 V418 E424 W425	T239-S421 VanDerWaalsContact CG2-O 3.3Å; T239-S421 WeakPolarHBondContact CG2-O 3.3Å; T239-S421 WeakPolarHBondContact OG1-CB 3.48Å; T239-S421 PolarHBondContact OG1-OG 2.69Å; R251-S421 PolarHBondContact NE-OG 3.15Å; R251-S421 PolarHBondContact NH2-OG 3.18Å; G417-S421 WeakPolarHBondContact O-CB 3.28Å; G417-S421 PolarHBondContact O-N 2.78Å; G417-S421 VanDerWaalsContact O-N 3.09Å; G417-S421 PolarHBondContact O-OG 2.92Å; V418-S421 WeakPolarHBondContact O-CB 3.39Å; V418-S421 PolarHBondContact O-N 3.34Å; S421-E424 WeakPolarHBondContact O-CB 3.39Å; S421-E424 PolarHBondContact O-N 3.47Å; S421-W425 WeakPolarHBondContact O-CB 3.49Å; S421-W425 PolarHBondContact O-N 3.37Å
422	Y	98.8	Very high	98.1	Very high	56 Å²	56	25.4 Å²	25.4	22%	0.22	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-42.6	173.9	171.2	-123.7	0	0	0	111.5	V160 P161 F162 V418 T419 V420 E424 W425 L426	V160-Y422 HydrophobicContact CG1-CD2 4.42Å; V160-Y422 HydrophobicContact CG1-CG 4.05Å; V160-Y422 HydrophobicContact CG2-CD1 4.47Å; P161-Y422 HydrophobicContact CG-CD2 4.44Å; P161-Y422 HydrophobicContact CG-CE2 3.69Å; F162-Y422 HydrophobicContact CE1-CD2 4.34Å; F162-Y422 AromaticContact CE2-CD2 3.81Å; F162-Y422 HydrophobicContact CE2-CD2 3.81Å; F162-Y422 HydrophobicContact CE2-CG 4.25Å; F162-Y422 AromaticContact CZ-CD2 3.59Å; F162-Y422 HydrophobicContact CZ-CD2 3.59Å; F162-Y422 HydrophobicContact CZ-CE2 4.41Å; F162-Y422 HydrophobicContact CZ-CG 4.45Å; V418-Y422 PolarHBondContact O-N 2.81Å; T419-Y422 WeakPolarHBondContact O-CB 3.16Å; T419-Y422 PolarHBondContact O-N 2.9Å; V420-Y422 VanDerWaalsContact C-N 3.26Å; V420-Y422 PolarHBondContact O-N 3.5Å; Y422-E424 VanDerWaalsContact C-N 3.34Å; Y422-E424 PolarHBondContact O-N 3.44Å; Y422-W425 HydrophobicContact CD2-CE3 4.15Å; Y422-W425 HydrophobicContact CE2-CE3 4.11Å; Y422-W425 HydrophobicContact CE2-CZ3 4.22Å; Y422-W425 PolarHBondContact O-N 2.98Å; Y422-L426 HydrophobicContact CD1-CD1 4.25Å; Y422-L426 HydrophobicContact CD2-CD1 4.39Å; Y422-L426 HydrophobicContact CD2-CG 4.15Å; Y422-L426 HydrophobicContact CE1-CD1 3.71Å; Y422-L426 HydrophobicContact CE1-CG 4.45Å; Y422-L426 HydrophobicContact CE2-CD1 3.87Å; Y422-L426 HydrophobicContact CE2-CD2 3.9Å; Y422-L426 HydrophobicContact CE2-CG 3.73Å; Y422-L426 WeakPolarHBondContact O-CG 3.42Å; Y422-L426 PolarHBondContact O-N 3.21Å
423	F	98.7	Very high	97.8	Very high	24 Å²	24	28.1 Å²	28.1	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-39.2	174	-56.1	-22.4	0	0	0	112.4	I248 T419 V420 L426 K427 V489	I248-F423 HydrophobicContact CD1-CB 3.57Å; T419-F423 HydrophobicContact CG2-CE1 4.18Å; T419-F423 HydrophobicContact CG2-CE2 3.93Å; T419-F423 HydrophobicContact CG2-CZ 3.59Å; T419-F423 WeakPolarHBondContact O-CG 3.44Å; T419-F423 PolarHBondContact O-N 3Å; T419-F423 VanDerWaalsContact O-N 3.16Å; V420-F423 HydrophobicContact CG2-CD2 4.27Å; V420-F423 HydrophobicContact CG2-CE2 4.5Å; V420-F423 PolarHBondContact O-N 3.37Å; F423-L426 PolarHBondContact O-N 3.39Å; F423-K427 WeakPolarHBondContact O-CB 3.23Å; F423-K427 PolarHBondContact O-N 3.49Å; F423-V489 HydrophobicContact CD2-CG2 4.34Å
424	E	98.8	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-45.6	173.6	-169.5	179.1	145	0	0	112	T239 G240 K241 I248 V420 S421 Y422 K427 N428	T239-E424 VanDerWaalsContact CA-OE1 3.23Å; T239-E424 WeakPolarHBondContact CA-OE1 3.31Å; T239-E424 HydrophobicContact CG2-CB 4.24Å; T239-E424 HydrophobicContact CG2-CG 4.45Å; G240-E424 WeakPolarHBondContact CA-OE2 3.43Å; G240-E424 VanDerWaalsContact N-CD 3.25Å; G240-E424 PolarHBondContact N-OE1 3.46Å; G240-E424 PolarHBondContact N-OE2 2.84Å; K241-E424 PolarHBondContact N-OE1 3.08Å; K241-E424 VanDerWaalsContact N-OE1 3.12Å; K241-E424 IonicContact NZ-OE1 3.2Å; K241-E424 PolarHBondContact NZ-OE1 3.47Å; I248-E424 HydrophobicContact CB-CB 3.85Å; I248-E424 HydrophobicContact CB-CG 4Å; I248-E424 HydrophobicContact CG2-CB 3.59Å; I248-E424 HydrophobicContact CG2-CG 4.08Å; V420-E424 PolarHBondContact O-N 3.06Å; S421-E424 WeakPolarHBondContact O-CB 3.39Å; S421-E424 PolarHBondContact O-N 3.47Å; Y422-E424 VanDerWaalsContact C-N 3.34Å; Y422-E424 PolarHBondContact O-N 3.44Å; E424-K427 WeakPolarHBondContact O-CB 3.41Å; E424-K427 PolarHBondContact O-N 3.06Å; E424-N428 VanDerWaalsContact O-CG 3.28Å; E424-N428 PolarHBondContact O-N 3.48Å; E424-N428 PolarHBondContact O-ND2 2.83Å
425	W	98.8	Very high	97.4	Very high	35 Å²	35	31.9 Å²	31.9	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-48.3	177.3	-177.2	79.5	0	0	0	110.9	P128 F162 P200 A236 T239 S421 Y422 K427 N428 L429	P128-W425 HydrophobicContact CG-CZ2 3.83Å; F162-W425 HydrophobicContact CE1-CD2 4.07Å; F162-W425 AromaticContact CE1-CE3 3.98Å; F162-W425 HydrophobicContact CE1-CE3 3.98Å; F162-W425 HydrophobicContact CE1-CH2 4.34Å; F162-W425 HydrophobicContact CE1-CZ2 4.43Å; F162-W425 HydrophobicContact CE1-CZ3 4.12Å; F162-W425 HydrophobicContact CZ-CB 4.3Å; F162-W425 AromaticContact CZ-CD2 3.89Å; F162-W425 HydrophobicContact CZ-CD2 3.89Å; F162-W425 AromaticContact CZ-CE3 3.85Å; F162-W425 HydrophobicContact CZ-CE3 3.85Å; F162-W425 HydrophobicContact CZ-CG 4.11Å; F162-W425 HydrophobicContact CZ-CZ3 4.42Å; P200-W425 PolarHBondContact O-NE1 3.32Å; P200-W425 VanDerWaalsContact O-NE1 3.13Å; A236-W425 VanDerWaalsContact O-CD1 3.26Å; T239-W425 HydrophobicContact CG2-CB 4.11Å; S421-W425 WeakPolarHBondContact O-CB 3.49Å; S421-W425 PolarHBondContact O-N 3.37Å; Y422-W425 HydrophobicContact CD2-CE3 4.15Å; Y422-W425 HydrophobicContact CE2-CE3 4.11Å; Y422-W425 HydrophobicContact CE2-CZ3 4.22Å; Y422-W425 PolarHBondContact O-N 2.98Å; W425-K427 PolarHBondContact O-N 3.06Å; W425-N428 PolarHBondContact O-N 3.37Å; W425-N428 VanDerWaalsContact O-N 3.11Å; W425-L429 HydrophobicContact CD2-CD1 3.83Å; W425-L429 HydrophobicContact CD2-CG 4.33Å; W425-L429 HydrophobicContact CE3-CD1 3.7Å; W425-L429 HydrophobicContact CH2-CD1 3.45Å; W425-L429 VanDerWaalsContact CH2-CD1 3.45Å; W425-L429 HydrophobicContact CZ2-CD1 3.57Å; W425-L429 HydrophobicContact CZ2-CG 4.48Å; W425-L429 HydrophobicContact CZ3-CD1 3.51Å; W425-L429 WeakPolarHBondContact O-CG 3.29Å; W425-L429 PolarHBondContact O-N 3.3Å
426	L	98.5	Very high	97.3	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-43.8	174.4	-71.4	178.4	0	0	0	112.4	Y422 F423 N428 L429 N430	Y422-L426 HydrophobicContact CD1-CD1 4.25Å; Y422-L426 HydrophobicContact CD2-CD1 4.39Å; Y422-L426 HydrophobicContact CD2-CG 4.15Å; Y422-L426 HydrophobicContact CE1-CD1 3.71Å; Y422-L426 HydrophobicContact CE1-CG 4.45Å; Y422-L426 HydrophobicContact CE2-CD1 3.87Å; Y422-L426 HydrophobicContact CE2-CD2 3.9Å; Y422-L426 HydrophobicContact CE2-CG 3.73Å; Y422-L426 WeakPolarHBondContact O-CG 3.42Å; Y422-L426 PolarHBondContact O-N 3.21Å; F423-L426 PolarHBondContact O-N 3.39Å; L426-N428 PolarHBondContact O-N 3.38Å; L426-L429 PolarHBondContact O-N 2.81Å; L426-N430 PolarHBondContact O-N 3.43Å; L426-N430 PolarHBondContact O-ND2 2.83Å
427	K	98.1	Very high	97.2	Very high	25 Å²	25	47.3 Å²	47.3	11%	0.109	23%	0.231	C	C	.	.	H	α-helix	trans	-55.8	-43.2	175.8	172.2	-173.8	174	174.8	0	111	G247 I248 F423 E424 W425 N430 H431 Y434 E485	G247-K427 PolarHBondContact O-NZ 2.87Å; I248-K427 HydrophobicContact CB-CD 4.38Å; I248-K427 HydrophobicContact CD1-CD 4.49Å; I248-K427 HydrophobicContact CG1-CD 4.13Å; F423-K427 WeakPolarHBondContact O-CB 3.23Å; F423-K427 PolarHBondContact O-N 3.49Å; E424-K427 WeakPolarHBondContact O-CB 3.41Å; E424-K427 PolarHBondContact O-N 3.06Å; W425-K427 PolarHBondContact O-N 3.06Å; K427-N430 PolarHBondContact O-N 2.99Å; K427-H431 PolarHBondContact O-N 3.34Å; K427-Y434 HydrophobicContact CB-CE2 4.5Å; K427-E485 WeakPolarHBondContact CD-OE2 3.38Å; K427-E485 WeakPolarHBondContact CE-OE2 3.22Å; K427-E485 VanDerWaalsContact NZ-CD 3.26Å; K427-E485 IonicContact NZ-OE1 3.56Å; K427-E485 PolarHBondContact NZ-OE1 2.94Å; K427-E485 IonicContact NZ-OE2 3.68Å; K427-E485 PolarHBondContact NZ-OE2 3.25Å
428	N	98.3	Very high	97.1	Very high	18 Å²	18	50.4 Å²	50.4	10%	0.096	25%	0.25	C	C	.	.	H	α-helix	trans	-69.7	-34	-179.9	-63.3	168.3	0	0	0	112.6	H235 A236 K241 G246 E424 W425 L426 H431	H235-N428 PolarHBondContact O-OD1 3.13Å; A236-N428 HydrophobicContact CB-CB 3.73Å; K241-N428 WeakPolarHBondContact CE-OD1 3.14Å; K241-N428 PolarHBondContact NZ-OD1 3.22Å; G246-N428 PolarHBondContact O-ND2 3.49Å; E424-N428 VanDerWaalsContact O-CG 3.28Å; E424-N428 PolarHBondContact O-N 3.48Å; E424-N428 PolarHBondContact O-ND2 2.83Å; W425-N428 PolarHBondContact O-N 3.37Å; W425-N428 VanDerWaalsContact O-N 3.11Å; L426-N428 PolarHBondContact O-N 3.38Å; N428-H431 PolarHBondContact O-CE1 2.77Å; N428-H431 PolarHBondContact O-NE2 3.16Å
429	L	98.1	Very high	97	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-73	-26.2	174.4	-63.9	-176.8	0	0	0	114	N233 A236 W425 L426 H431	N233-L429 HydrophobicContact CB-CD2 3.85Å; N233-L429 WeakPolarHBondContact OD1-CD2 2.96Å; A236-L429 HydrophobicContact CB-CD2 4.04Å; W425-L429 HydrophobicContact CD2-CD1 3.83Å; W425-L429 HydrophobicContact CD2-CG 4.33Å; W425-L429 HydrophobicContact CE3-CD1 3.7Å; W425-L429 HydrophobicContact CH2-CD1 3.45Å; W425-L429 VanDerWaalsContact CH2-CD1 3.45Å; W425-L429 HydrophobicContact CZ2-CD1 3.57Å; W425-L429 HydrophobicContact CZ2-CG 4.48Å; W425-L429 HydrophobicContact CZ3-CD1 3.51Å; W425-L429 WeakPolarHBondContact O-CG 3.29Å; W425-L429 PolarHBondContact O-N 3.3Å; L426-L429 PolarHBondContact O-N 2.81Å; L429-H431 PolarHBondContact O-ND1 3.19Å; L429-H431 VanDerWaalsContact O-ND1 3.13Å
430	N	97.8	Very high	96.9	Very high	98 Å²	98	60.8 Å²	60.8	52%	0.524	29%	0.294	S	S	.	.	H	α-helix	trans	-87.2	-15.5	179.8	-79.2	-80.9	0	0	0	113	L426 K427 V432	L426-N430 PolarHBondContact O-N 3.43Å; L426-N430 PolarHBondContact O-ND2 2.83Å; K427-N430 PolarHBondContact O-N 2.99Å; N430-V432 WeakPolarHBondContact O-CG2 3.46Å; N430-V432 PolarHBondContact O-N 2.98Å
431	H	96.6	Very high	96.9	Very high	109 Å²	109	68.9 Å²	68.9	51%	0.505	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	20.5	-178.7	-54.4	80.7	0	0	0	115.1	I232 N233 K427 N428 L429	I232-H431 PolarHBondContact O-NE2 3.47Å; N233-H431 PolarHBondContact OD1-CE1 3.25Å; N233-H431 VanDerWaalsContact OD1-CE1 3.29Å; K427-H431 PolarHBondContact O-N 3.34Å; N428-H431 PolarHBondContact O-CE1 2.77Å; N428-H431 PolarHBondContact O-NE2 3.16Å; L429-H431 PolarHBondContact O-ND1 3.19Å; L429-H431 VanDerWaalsContact O-ND1 3.13Å
432	V	94.7	Very high	96.9	Very high	56 Å²	56	72.4 Å²	72.4	34%	0.339	34%	0.342	S	S	.	.	S	Bend	trans	-136.4	137.6	-177.2	177	0	0	0	0	109.9	N430 R436 L437	N430-V432 WeakPolarHBondContact O-CG2 3.46Å; N430-V432 PolarHBondContact O-N 2.98Å; V432-R436 HydrophobicContact CG1-CB 4.37Å; V432-L437 HydrophobicContact CG1-CD1 4.13Å; V432-L437 HydrophobicContact CG1-CG 4.01Å
433	S	93	Very high	96.8	Very high	56 Å²	56	75.4 Å²	75.4	39%	0.392	35%	0.353	S	S	.	.			trans	-70.4	129.8	169.9	-51.4	0	0	0	0	110.4	G435 R436	S433-G435 PolarHBondContact O-N 2.92Å; S433-R436 VanDerWaalsContact O-CB 3.22Å; S433-R436 WeakPolarHBondContact O-CB 3.29Å; S433-R436 PolarHBondContact O-N 3.24Å; S433-R436 VanDerWaalsContact O-N 3.11Å
434	Y	93.9	Very high	96.8	Very high	73 Å²	73	77.1 Å²	77.1	29%	0.286	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	133.4	178.9	-83	-82.3	0	0	0	112.3	K427 R436 I488	K427-Y434 HydrophobicContact CB-CE2 4.5Å; Y434-R436 VanDerWaalsContact C-N 3.27Å; Y434-R436 PolarHBondContact O-N 3.33Å; Y434-I488 HydrophobicContact CD1-CG1 4.05Å; Y434-I488 HydrophobicContact CE1-CG2 4.47Å; Y434-I488 HydrophobicContact CG-CG1 4.24Å
435	G	94.7	Very high	96.8	Very high	14 Å²	14	79.5 Å²	79.5	14%	0.144	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-16.9	-179.9	0	0	0	0	0	115.6	S433 L437 T438 F439	S433-G435 PolarHBondContact O-N 2.92Å; G435-L437 VanDerWaalsContact C-N 3.27Å; G435-L437 PolarHBondContact O-N 2.82Å; G435-L437 VanDerWaalsContact O-N 3.13Å; G435-T438 PolarHBondContact O-N 2.68Å; G435-T438 PolarHBondContact O-OG1 2.99Å; G435-F439 VanDerWaalsContact CA-CE1 3.49Å; G435-F439 WeakPolarHBondContact O-CD1 3.1Å; G435-F439 VanDerWaalsContact O-CD2 3.29Å; G435-F439 WeakPolarHBondContact O-CD2 3.49Å; G435-F439 WeakPolarHBondContact O-CG 3.35Å; G435-F439 PolarHBondContact O-N 3.42Å
436	R	94.3	Very high	96.7	Very high	184 Å²	184	78.9 Å²	78.9	69%	0.694	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.1	-175.8	-178.2	176.9	178.3	177.2	-0.5	113.9	V432 S433 Y434	V432-R436 HydrophobicContact CG1-CB 4.37Å; S433-R436 VanDerWaalsContact O-CB 3.22Å; S433-R436 WeakPolarHBondContact O-CB 3.29Å; S433-R436 PolarHBondContact O-N 3.24Å; S433-R436 VanDerWaalsContact O-N 3.11Å; Y434-R436 VanDerWaalsContact C-N 3.27Å; Y434-R436 PolarHBondContact O-N 3.33Å
437	L	95.6	Very high	96.7	Very high	140 Å²	140	80.8 Å²	80.8	73%	0.733	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-16.3	-177.6	-59.8	178.6	0	0	0	113.3	V432 G435	V432-L437 HydrophobicContact CG1-CD1 4.13Å; V432-L437 HydrophobicContact CG1-CG 4.01Å; G435-L437 VanDerWaalsContact C-N 3.27Å; G435-L437 PolarHBondContact O-N 2.82Å; G435-L437 VanDerWaalsContact O-N 3.13Å
438	T	96.4	Very high	96.7	Very high	69 Å²	69	85.7 Å²	85.7	42%	0.423	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-19.4	-168	54.9	0	0	0	0	114.1	G435 K440 Y441 E442	G435-T438 PolarHBondContact O-N 2.68Å; G435-T438 PolarHBondContact O-OG1 2.99Å; T438-K440 PolarHBondContact O-N 3.07Å; T438-Y441 PolarHBondContact O-N 2.95Å; T438-E442 WeakPolarHBondContact O-CB 3.25Å; T438-E442 PolarHBondContact O-N 2.9Å
439	F	97	Very high	96.7	Very high	76 Å²	76	89.6 Å²	89.6	33%	0.333	43%	0.428	S	S	.	.	H	α-helix	trans	-49.2	-50.4	-171.5	-73.6	-35.1	0	0	0	114.6	G435 R443 S481	G435-F439 VanDerWaalsContact CA-CE1 3.49Å; G435-F439 WeakPolarHBondContact O-CD1 3.1Å; G435-F439 VanDerWaalsContact O-CD2 3.29Å; G435-F439 WeakPolarHBondContact O-CD2 3.49Å; G435-F439 WeakPolarHBondContact O-CG 3.35Å; G435-F439 PolarHBondContact O-N 3.42Å; F439-R443 VanDerWaalsContact O-CB 3.26Å; F439-R443 WeakPolarHBondContact O-CB 3.09Å; F439-R443 PolarHBondContact O-N 3.26Å; F439-S481 WeakPolarHBondContact CA-O 2.97Å; F439-S481 WeakPolarHBondContact CD1-O 3.15Å
440	K	96.6	Very high	96.7	Very high	152 Å²	152	88.2 Å²	88.2	66%	0.661	42%	0.421	S	S	*	.	H	α-helix	trans	-68	-43	-179.6	-172.2	-178.9	-175.2	-59.5	0	111.5	T438 R443 D444	T438-K440 PolarHBondContact O-N 3.07Å; K440-R443 PolarHBondContact O-N 3.35Å; K440-D444 IonicContact NZ-OD2 2.66Å; K440-D444 PolarHBondContact NZ-OD2 3.24Å; K440-D444 WeakPolarHBondContact O-CB 3.41Å; K440-D444 PolarHBondContact O-N 3.45Å
441	Y	97.7	Very high	96.7	Very high	171 Å²	171	87.6 Å²	87.6	67%	0.671	42%	0.416	S	S	*	.	H	α-helix	trans	-63.6	-47.3	-179.1	-176.1	-91.8	0	0	0	111.4	T438 R443 D444 S445	T438-Y441 PolarHBondContact O-N 2.95Å; Y441-R443 PolarHBondContact O-N 2.93Å; Y441-D444 PolarHBondContact O-N 3.43Å; Y441-S445 WeakPolarHBondContact O-CB 3.3Å; Y441-S445 PolarHBondContact O-N 3.43Å
442	E	97.9	Very high	96.8	Very high	74 Å²	74	85.5 Å²	85.5	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-42.2	179.2	-160.4	67.5	-153.6	0	0	111.3	T438 S445 N446	T438-E442 WeakPolarHBondContact O-CB 3.25Å; T438-E442 PolarHBondContact O-N 2.9Å; E442-S445 PolarHBondContact O-N 2.96Å; E442-N446 WeakPolarHBondContact O-CB 3.34Å; E442-N446 VanDerWaalsContact O-CG 3.31Å; E442-N446 PolarHBondContact O-N 2.86Å; E442-N446 PolarHBondContact O-ND2 2.84Å; E442-N446 VanDerWaalsContact O-ND2 3.17Å
443	R	97.6	Very high	96.9	Very high	119 Å²	119	86 Å²	86	45%	0.449	42%	0.416	S	S	.	.	H	α-helix	trans	-58.9	-53.1	174.8	-179.3	178	175.3	-178.1	1.8	111.6	F439 K440 Y441 S445 N446 Y447 I480	F439-R443 VanDerWaalsContact O-CB 3.26Å; F439-R443 WeakPolarHBondContact O-CB 3.09Å; F439-R443 PolarHBondContact O-N 3.26Å; K440-R443 PolarHBondContact O-N 3.35Å; Y441-R443 PolarHBondContact O-N 2.93Å; R443-S445 VanDerWaalsContact C-N 3.32Å; R443-S445 PolarHBondContact O-N 2.92Å; R443-N446 PolarHBondContact O-N 3.41Å; R443-Y447 HydrophobicContact CG-CD2 3.82Å; R443-Y447 HydrophobicContact CG-CE2 3.67Å; R443-Y447 WeakPolarHBondContact O-CD2 3.41Å; R443-Y447 PolarHBondContact O-N 2.94Å; R443-I480 VanDerWaalsContact CA-O 3.32Å; R443-I480 WeakPolarHBondContact CA-O 3.41Å; R443-I480 HydrophobicContact CG-CG1 4.37Å; R443-I480 HydrophobicContact CG-CG2 4.16Å
444	D	98.2	Very high	97	Very high	60 Å²	60	84.7 Å²	84.7	32%	0.321	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-41	-178.7	-65.6	-12.2	0	0	0	110.7	K440 Y441 Y447 H448	K440-D444 IonicContact NZ-OD2 2.66Å; K440-D444 PolarHBondContact NZ-OD2 3.24Å; K440-D444 WeakPolarHBondContact O-CB 3.41Å; K440-D444 PolarHBondContact O-N 3.45Å; Y441-D444 PolarHBondContact O-N 3.43Å; D444-Y447 PolarHBondContact O-N 2.91Å; D444-H448 WeakPolarHBondContact O-CB 3.41Å; D444-H448 VanDerWaalsContact O-CG 3.3Å; D444-H448 PolarHBondContact O-N 2.8Å; D444-H448 PolarHBondContact O-ND1 2.94Å
445	S	98.4	Very high	97	Very high	50 Å²	50	85.9 Å²	85.9	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-59	-47.4	175.1	-174.9	0	0	0	0	111.9	Y441 E442 R443 Y447 H448 L449	Y441-S445 WeakPolarHBondContact O-CB 3.3Å; Y441-S445 PolarHBondContact O-N 3.43Å; E442-S445 PolarHBondContact O-N 2.96Å; R443-S445 VanDerWaalsContact C-N 3.32Å; R443-S445 PolarHBondContact O-N 2.92Å; S445-Y447 PolarHBondContact O-N 3.08Å; S445-H448 PolarHBondContact O-N 2.87Å; S445-L449 WeakPolarHBondContact O-CB 3.39Å; S445-L449 PolarHBondContact O-N 2.85Å
446	N	98.2	Very high	97.1	Very high	23 Å²	23	88.4 Å²	88.4	12%	0.123	43%	0.427	C	S	.	.	H	α-helix	trans	-64.5	-41.2	178.3	-76.5	-35.9	0	0	0	112.2	E442 R443 L449 L450 F476 I480	E442-N446 WeakPolarHBondContact O-CB 3.34Å; E442-N446 VanDerWaalsContact O-CG 3.31Å; E442-N446 PolarHBondContact O-N 2.86Å; E442-N446 PolarHBondContact O-ND2 2.84Å; E442-N446 VanDerWaalsContact O-ND2 3.17Å; R443-N446 PolarHBondContact O-N 3.41Å; N446-L449 WeakPolarHBondContact O-CB 3.46Å; N446-L449 PolarHBondContact O-N 2.98Å; N446-L450 WeakPolarHBondContact O-CG 3.29Å; N446-L450 PolarHBondContact O-N 2.8Å; N446-F476 HydrophobicContact CB-CZ 4.37Å; N446-I480 HydrophobicContact CB-CD1 3.63Å; N446-I480 HydrophobicContact CB-CG1 4.25Å; N446-I480 PolarHBondContact ND2-O 3.34Å
447	Y	98.3	Very high	97	Very high	77 Å²	77	82.5 Å²	82.5	30%	0.302	41%	0.41	S	S	.	.	H	α-helix	trans	-65.8	-38	173.9	-79.2	-67.8	0	0	0	112.3	R443 D444 S445 L449 L450 M451 P472 Q477 I480	R443-Y447 HydrophobicContact CG-CD2 3.82Å; R443-Y447 HydrophobicContact CG-CE2 3.67Å; R443-Y447 WeakPolarHBondContact O-CD2 3.41Å; R443-Y447 PolarHBondContact O-N 2.94Å; D444-Y447 PolarHBondContact O-N 2.91Å; S445-Y447 PolarHBondContact O-N 3.08Å; Y447-L449 VanDerWaalsContact C-N 3.33Å; Y447-L450 HydrophobicContact CD1-CD1 4.44Å; Y447-L450 PolarHBondContact O-N 3.47Å; Y447-M451 VanDerWaalsContact O-CB 3.31Å; Y447-M451 WeakPolarHBondContact O-CB 3.37Å; Y447-M451 PolarHBondContact O-N 3.25Å; Y447-P472 HydrophobicContact CE1-CG 4.42Å; Y447-Q477 PolarHBondContact OH-NE2 3.27Å; Y447-Q477 VanDerWaalsContact OH-NE2 3.12Å; Y447-Q477 PolarHBondContact OH-OE1 3.17Å; Y447-I480 HydrophobicContact CD2-CG1 4.22Å; Y447-I480 HydrophobicContact CE2-CD1 4.45Å; Y447-I480 HydrophobicContact CE2-CG1 3.69Å
448	H	98.3	Very high	96.9	Very high	129 Å²	129	77.6 Å²	77.6	60%	0.597	38%	0.383	S	S	*	.	H	α-helix	trans	-66	-34	172.8	-70.1	151.1	0	0	0	112.7	D444 S445 M451 S452	D444-H448 WeakPolarHBondContact O-CB 3.41Å; D444-H448 VanDerWaalsContact O-CG 3.3Å; D444-H448 PolarHBondContact O-N 2.8Å; D444-H448 PolarHBondContact O-ND1 2.94Å; S445-H448 PolarHBondContact O-N 2.87Å; H448-M451 PolarHBondContact O-N 3.4Å; H448-S452 WeakPolarHBondContact O-CB 3.36Å; H448-S452 PolarHBondContact O-N 3.17Å; H448-S452 PolarHBondContact O-OG 3.33Å
449	L	98.4	Very high	96.7	Very high	99 Å²	99	83.4 Å²	83.4	52%	0.518	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-50	173.6	-172.2	162.2	0	0	0	110.5	S445 N446 Y447 M451 S452 V453	S445-L449 WeakPolarHBondContact O-CB 3.39Å; S445-L449 PolarHBondContact O-N 2.85Å; N446-L449 WeakPolarHBondContact O-CB 3.46Å; N446-L449 PolarHBondContact O-N 2.98Å; Y447-L449 VanDerWaalsContact C-N 3.33Å; L449-M451 VanDerWaalsContact C-N 3.3Å; L449-M451 PolarHBondContact O-N 3.06Å; L449-S452 WeakPolarHBondContact O-CB 3.41Å; L449-S452 PolarHBondContact O-N 2.93Å; L449-V453 HydrophobicContact CD2-CG2 4.45Å; L449-V453 PolarHBondContact O-N 2.9Å; L449-V453 VanDerWaalsContact O-N 3.14Å
450	L	97.8	Very high	96.4	Very high	24 Å²	24	87.6 Å²	87.6	13%	0.126	42%	0.415	C	S	.	.	H	α-helix	trans	-59.7	-42.4	175.8	-64.3	172.6	0	0	0	111.3	N446 Y447 S452 V453 Q454 V470 P472 F476	N446-L450 WeakPolarHBondContact O-CG 3.29Å; N446-L450 PolarHBondContact O-N 2.8Å; Y447-L450 HydrophobicContact CD1-CD1 4.44Å; Y447-L450 PolarHBondContact O-N 3.47Å; L450-S452 VanDerWaalsContact C-N 3.34Å; L450-S452 PolarHBondContact O-N 2.83Å; L450-V453 PolarHBondContact O-N 2.81Å; L450-Q454 PolarHBondContact O-N 3.06Å; L450-V470 HydrophobicContact CB-CG1 4.12Å; L450-V470 HydrophobicContact CD2-CG1 3.79Å; L450-P472 HydrophobicContact CD1-CB 4.33Å; L450-P472 HydrophobicContact CD1-CG 4.47Å; L450-F476 HydrophobicContact CD1-CE1 4.34Å
451	M	97.5	Very high	96.1	Very high	84 Å²	84	86.6 Å²	86.6	41%	0.414	41%	0.411	S	S	.	.	H	α-helix	trans	-61.7	-41.3	175.7	-168.1	63.1	64.7	0	0	111.9	Y447 H448 L449 V453 Q454 E455	Y447-M451 VanDerWaalsContact O-CB 3.31Å; Y447-M451 WeakPolarHBondContact O-CB 3.37Å; Y447-M451 PolarHBondContact O-N 3.25Å; H448-M451 PolarHBondContact O-N 3.4Å; L449-M451 VanDerWaalsContact C-N 3.3Å; L449-M451 PolarHBondContact O-N 3.06Å; M451-V453 VanDerWaalsContact C-N 3.29Å; M451-V453 PolarHBondContact O-N 2.7Å; M451-Q454 WeakPolarHBondContact O-CB 3.22Å; M451-Q454 PolarHBondContact O-N 3.18Å; M451-E455 HydrophobicContact CG-CG 4.31Å; M451-E455 WeakPolarHBondContact O-CB 3.09Å; M451-E455 WeakPolarHBondContact O-CG 3.48Å; M451-E455 PolarHBondContact O-N 2.72Å
452	S	97.9	Very high	95	Very high	65 Å²	65	79.9 Å²	79.9	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-37.9	178.4	-60.9	0	0	0	0	111.9	H448 L449 L450 S456	H448-S452 WeakPolarHBondContact O-CB 3.36Å; H448-S452 PolarHBondContact O-N 3.17Å; H448-S452 PolarHBondContact O-OG 3.33Å; L449-S452 WeakPolarHBondContact O-CB 3.41Å; L449-S452 PolarHBondContact O-N 2.93Å; L450-S452 VanDerWaalsContact C-N 3.34Å; L450-S452 PolarHBondContact O-N 2.83Å; S452-S456 VanDerWaalsContact O-CB 3.28Å; S452-S456 WeakPolarHBondContact O-CB 3.38Å; S452-S456 PolarHBondContact O-N 3.11Å; S452-S456 VanDerWaalsContact O-N 3.08Å; S452-S456 PolarHBondContact O-OG 2.64Å
453	V	97.3	Very high	93.5	Very high	66 Å²	66	84.4 Å²	84.4	40%	0.4	41%	0.412	S	S	.	.	H	α-helix	trans	-66.6	-48.1	173.6	177.5	0	0	0	0	110.3	L449 L450 M451 S456 L457 V470	L449-V453 HydrophobicContact CD2-CG2 4.45Å; L449-V453 PolarHBondContact O-N 2.9Å; L449-V453 VanDerWaalsContact O-N 3.14Å; L450-V453 PolarHBondContact O-N 2.81Å; M451-V453 VanDerWaalsContact C-N 3.29Å; M451-V453 PolarHBondContact O-N 2.7Å; V453-S456 PolarHBondContact O-N 3.01Å; V453-L457 HydrophobicContact CG1-CD1 4.04Å; V453-L457 HydrophobicContact CG1-CG 4.48Å; V453-L457 WeakPolarHBondContact O-CG 3.19Å; V453-L457 PolarHBondContact O-N 2.91Å; V453-V470 HydrophobicContact CG1-CG2 4.18Å
454	Q	95.1	Very high	91.8	Very high	30 Å²	30	86.3 Å²	86.3	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-55.3	-54.5	176.7	168.3	164.9	-20.6	0	0	111.7	L450 M451 S456 L457 E458 I468 V470	L450-Q454 PolarHBondContact O-N 3.06Å; M451-Q454 WeakPolarHBondContact O-CB 3.22Å; M451-Q454 PolarHBondContact O-N 3.18Å; Q454-S456 VanDerWaalsContact C-N 3.27Å; Q454-S456 PolarHBondContact O-N 2.94Å; Q454-L457 PolarHBondContact O-N 3.13Å; Q454-E458 HydrophobicContact CG-CG 4.37Å; Q454-E458 PolarHBondContact NE2-OE1 3.24Å; Q454-E458 WeakPolarHBondContact O-CB 3.38Å; Q454-E458 WeakPolarHBondContact O-CG 3.47Å; Q454-E458 PolarHBondContact O-N 2.89Å; Q454-I468 WeakPolarHBondContact CG-O 3.38Å; Q454-V470 HydrophobicContact CB-CB 4.01Å; Q454-V470 HydrophobicContact CB-CG2 3.74Å; Q454-V470 VanDerWaalsContact OE1-N 3.11Å
455	E	94.6	Very high	90.2	Very high	98 Å²	98	91.6 Å²	91.6	46%	0.458	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-36.5	179.8	-73	-176.2	-175.8	0	0	112.3	M451 R459	M451-E455 HydrophobicContact CG-CG 4.31Å; M451-E455 WeakPolarHBondContact O-CB 3.09Å; M451-E455 WeakPolarHBondContact O-CG 3.48Å; M451-E455 PolarHBondContact O-N 2.72Å; E455-R459 WeakPolarHBondContact O-CB 3.33Å; E455-R459 PolarHBondContact O-N 3.03Å
456	S	95.4	Very high	89.2	Confident	66 Å²	66	91 Å²	91	46%	0.462	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-42.2	177.7	-63.9	0	0	0	0	111.9	S452 V453 Q454 K460	S452-S456 VanDerWaalsContact O-CB 3.28Å; S452-S456 WeakPolarHBondContact O-CB 3.38Å; S452-S456 PolarHBondContact O-N 3.11Å; S452-S456 VanDerWaalsContact O-N 3.08Å; S452-S456 PolarHBondContact O-OG 2.64Å; V453-S456 PolarHBondContact O-N 3.01Å; Q454-S456 VanDerWaalsContact C-N 3.27Å; Q454-S456 PolarHBondContact O-N 2.94Å; S456-K460 WeakPolarHBondContact O-CB 3.3Å; S456-K460 PolarHBondContact O-N 3.11Å; S456-K460 VanDerWaalsContact O-N 3.15Å
457	L	94.1	Very high	88.6	Confident	61 Å²	61	93.6 Å²	93.6	32%	0.319	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-47.2	175.4	-66.6	172	0	0	0	110.9	V453 Q454 R459 K460 F461 I468 V470	V453-L457 HydrophobicContact CG1-CD1 4.04Å; V453-L457 HydrophobicContact CG1-CG 4.48Å; V453-L457 WeakPolarHBondContact O-CG 3.19Å; V453-L457 PolarHBondContact O-N 2.91Å; Q454-L457 PolarHBondContact O-N 3.13Å; L457-R459 VanDerWaalsContact C-N 3.29Å; L457-R459 PolarHBondContact O-N 3.35Å; L457-K460 PolarHBondContact O-N 3.31Å; L457-K460 VanDerWaalsContact O-N 3.15Å; L457-F461 HydrophobicContact CB-CD2 4.42Å; L457-F461 HydrophobicContact CD2-CD2 4.36Å; L457-F461 HydrophobicContact CD2-CE2 3.84Å; L457-F461 VanDerWaalsContact O-CD2 3.26Å; L457-F461 WeakPolarHBondContact O-CD2 3.42Å; L457-F461 PolarHBondContact O-N 3.41Å; L457-I468 HydrophobicContact CB-CD1 4.02Å; L457-I468 HydrophobicContact CD1-CG2 4.13Å; L457-V470 HydrophobicContact CD1-CG2 4.37Å
458	E	92.4	Very high	88.2	Confident	37 Å²	37	92.7 Å²	92.7	17%	0.173	48%	0.481	C	S	.	.	H	α-helix	trans	-61.7	-36.1	178.4	-71	-176.7	169.8	0	0	112.1	Q454 G462 S467 I468	Q454-E458 HydrophobicContact CG-CG 4.37Å; Q454-E458 PolarHBondContact NE2-OE1 3.24Å; Q454-E458 WeakPolarHBondContact O-CB 3.38Å; Q454-E458 WeakPolarHBondContact O-CG 3.47Å; Q454-E458 PolarHBondContact O-N 2.89Å; E458-G462 VanDerWaalsContact O-CA 3.27Å; E458-G462 WeakPolarHBondContact O-CA 3.36Å; E458-G462 PolarHBondContact O-N 2.99Å; E458-S467 WeakPolarHBondContact OE1-CA 3.46Å; E458-S467 WeakPolarHBondContact OE1-CB 3.23Å; E458-S467 PolarHBondContact OE1-OG 2.89Å; E458-I468 HydrophobicContact CG-CB 4.19Å; E458-I468 HydrophobicContact CG-CG1 4.3Å; E458-I468 PolarHBondContact OE1-N 3.12Å
459	R	92.1	Very high	88	Confident	191 Å²	191	90.8 Å²	90.8	72%	0.721	48%	0.48	S	S	*	.	H	α-helix	trans	-67.6	-37.3	174.9	-169.5	-175	-54	164.4	6	112.7	E455 L457	E455-R459 WeakPolarHBondContact O-CB 3.33Å; E455-R459 PolarHBondContact O-N 3.03Å; L457-R459 VanDerWaalsContact C-N 3.29Å; L457-R459 PolarHBondContact O-N 3.35Å
460	K	91.8	Very high	87.9	Confident	164 Å²	164	87.9 Å²	87.9	71%	0.713	47%	0.466	S	S	*	.	H	α-helix	trans	-78.1	-43.5	-177.1	178.5	58.2	175	179	0	112.7	S456 L457	S456-K460 WeakPolarHBondContact O-CB 3.3Å; S456-K460 PolarHBondContact O-N 3.11Å; S456-K460 VanDerWaalsContact O-N 3.15Å; L457-K460 PolarHBondContact O-N 3.31Å; L457-K460 VanDerWaalsContact O-N 3.15Å
461	F	88.9	Confident	87.8	Confident	130 Å²	130	91.9 Å²	91.9	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-96.1	-8.7	-173.6	-61.9	-67.4	0	0	0	113.1	L457	L457-F461 HydrophobicContact CB-CD2 4.42Å; L457-F461 HydrophobicContact CD2-CD2 4.36Å; L457-F461 HydrophobicContact CD2-CE2 3.84Å; L457-F461 VanDerWaalsContact O-CD2 3.26Å; L457-F461 WeakPolarHBondContact O-CD2 3.42Å; L457-F461 PolarHBondContact O-N 3.41Å
462	G	74.9	Confident	87.8	Confident	31 Å²	31	89.1 Å²	89.1	32%	0.32	48%	0.48	S	S	.	.			trans	66.6	172.5	-173	0	0	0	0	0	111.9	E458 L464	E458-G462 VanDerWaalsContact O-CA 3.27Å; E458-G462 WeakPolarHBondContact O-CA 3.36Å; E458-G462 PolarHBondContact O-N 2.99Å; G462-L464 PolarHBondContact O-N 3.16Å
463	K	67.4	Low	87.8	Confident	168 Å²	168	90 Å²	90	73%	0.73	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-80.1	15.6	176.1	-64.8	-174	177.8	-176.6	0	113.6	N465 G466	K463-N465 PolarHBondContact O-N 3.43Å; K463-G466 PolarHBondContact O-N 3.19Å
464	L	61.1	Low	87.8	Confident	159 Å²	159	90.7 Å²	90.7	83%	0.832	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-57.6	-25.2	-172.8	-86.2	153.3	0	0	0	113.1	G462	G462-L464 PolarHBondContact O-N 3.16Å
465	N	64.4	Low	87.8	Confident	171 Å²	171	94.7 Å²	94.7	91%	0.914	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-120	20	176.5	-71.5	-15	0	0	0	114.2	K463	K463-N465 PolarHBondContact O-N 3.43Å
466	G	77.4	Confident	87.9	Confident	38 Å²	38	93.5 Å²	93.5	39%	0.392	50%	0.502	S	S	.	.			trans	94.4	-171.2	-178.5	0	0	0	0	0	114.8	K463	K463-G466 PolarHBondContact O-N 3.19Å
467	S	84.9	Confident	88	Confident	77 Å²	77	94 Å²	94	54%	0.538	50%	0.497	S	S	.	.			trans	-73.2	147	173.9	178.2	0	0	0	0	110.5	E458 P469	E458-S467 WeakPolarHBondContact OE1-CA 3.46Å; E458-S467 WeakPolarHBondContact OE1-CB 3.23Å; E458-S467 PolarHBondContact OE1-OG 2.89Å; S467-P469 VanDerWaalsContact C-CD 3.48Å; S467-P469 WeakPolarHBondContact O-CD 3.43Å
468	I	91	Very high	88	Confident	59 Å²	59	97.9 Å²	97.9	30%	0.303	52%	0.518	S	S	.	.			trans	-108.1	81.8	177.5	-54.9	174.6	0	0	0	108	Q454 L457 E458 V470	Q454-I468 WeakPolarHBondContact CG-O 3.38Å; L457-I468 HydrophobicContact CB-CD1 4.02Å; L457-I468 HydrophobicContact CD1-CG2 4.13Å; E458-I468 HydrophobicContact CG-CB 4.19Å; E458-I468 HydrophobicContact CG-CG1 4.3Å; E458-I468 PolarHBondContact OE1-N 3.12Å; I468-V470 PolarHBondContact O-N 2.79Å
469	P	93.3	Very high	88.2	Confident	89 Å²	89	104.7 Å²	104.7	58%	0.578	54%	0.542	S	S	*	.			trans	-67.2	121.2	-175.3	27.5	-34.8	0	0	0	110.8	S467 V471	S467-P469 VanDerWaalsContact C-CD 3.48Å; S467-P469 WeakPolarHBondContact O-CD 3.43Å; P469-V471 HydrophobicContact CB-CG1 4.41Å
470	V	96	Very high	88.4	Confident	37 Å²	37	95.8 Å²	95.8	22%	0.224	51%	0.509	C	S	.	.			trans	-101.2	101.4	172.6	-179.4	0	0	0	0	108	L450 V453 Q454 L457 I468	L450-V470 HydrophobicContact CB-CG1 4.12Å; L450-V470 HydrophobicContact CD2-CG1 3.79Å; V453-V470 HydrophobicContact CG1-CG2 4.18Å; Q454-V470 HydrophobicContact CB-CB 4.01Å; Q454-V470 HydrophobicContact CB-CG2 3.74Å; Q454-V470 VanDerWaalsContact OE1-N 3.11Å; L457-V470 HydrophobicContact CD1-CG2 4.37Å; I468-V470 PolarHBondContact O-N 2.79Å
471	V	96.8	Very high	88.6	Confident	109 Å²	109	89.7 Å²	89.7	66%	0.661	49%	0.487	S	S	*	.			trans	-115.8	149.5	-175.5	-64.2	0	0	0	0	111.4	P469	P469-V471 HydrophobicContact CB-CG1 4.41Å
472	P	97.5	Very high	88.9	Confident	26 Å²	26	84.8 Å²	84.8	17%	0.169	47%	0.473	C	S	.	.			trans	-66.9	148.3	176.4	29.5	-35.5	0	0	0	111.5	Y447 L450 F476 Q477 I480	Y447-P472 HydrophobicContact CE1-CG 4.42Å; L450-P472 HydrophobicContact CD1-CB 4.33Å; L450-P472 HydrophobicContact CD1-CG 4.47Å; P472-F476 HydrophobicContact CB-CB 4.32Å; P472-F476 HydrophobicContact CB-CD1 3.59Å; P472-F476 HydrophobicContact CB-CE1 4.39Å; P472-F476 HydrophobicContact CB-CG 4.38Å; P472-Q477 HydrophobicContact CB-CB 4.32Å; P472-Q477 HydrophobicContact CG-CB 4.31Å; P472-I480 HydrophobicContact CB-CD1 4.5Å
473	T	97.9	Very high	89.9	Confident	82 Å²	82	85.5 Å²	85.5	50%	0.503	48%	0.476	S	S	.	.			trans	-70.5	168.9	166.6	74.3	0	0	0	0	110.6	E475 F476 Q477	T473-E475 VanDerWaalsContact C-N 3.29Å; T473-E475 WeakPolarHBondContact CB-OE2 3.42Å; T473-E475 PolarHBondContact O-N 2.78Å; T473-E475 PolarHBondContact OG1-OE2 2.54Å; T473-F476 PolarHBondContact O-N 2.74Å; T473-F476 PolarHBondContact OG1-N 3.04Å; T473-Q477 WeakPolarHBondContact O-CB 3.34Å; T473-Q477 PolarHBondContact O-N 3.35Å
474	S	96.9	Very high	91.2	Very high	81 Å²	81	79 Å²	79	57%	0.566	45%	0.452	S	S	*	.	H	α-helix	trans	-52.5	-46.5	174.2	30.6	0	0	0	0	112.4	F476 Q477 D478	S474-F476 PolarHBondContact O-N 3.03Å; S474-Q477 PolarHBondContact O-N 2.75Å; S474-D478 PolarHBondContact O-N 3.18Å
475	E	95.5	Very high	92.9	Very high	115 Å²	115	72.8 Å²	72.8	54%	0.537	42%	0.419	S	S	.	.	H	α-helix	trans	-70.1	-36.1	-176.8	-54.6	68.7	-143.8	0	0	111.8	T473 R479	T473-E475 VanDerWaalsContact C-N 3.29Å; T473-E475 WeakPolarHBondContact CB-OE2 3.42Å; T473-E475 PolarHBondContact O-N 2.78Å; T473-E475 PolarHBondContact OG1-OE2 2.54Å; E475-R479 WeakPolarHBondContact O-CG 3.46Å
476	F	96.4	Very high	94.4	Very high	73 Å²	73	69.7 Å²	69.7	32%	0.32	40%	0.397	S	S	.	.	H	α-helix	trans	-76.8	-32.4	177	-172.5	-125.6	0	0	0	111.6	N446 L450 P472 T473 S474 D478 R479 I480	N446-F476 HydrophobicContact CB-CZ 4.37Å; L450-F476 HydrophobicContact CD1-CE1 4.34Å; P472-F476 HydrophobicContact CB-CB 4.32Å; P472-F476 HydrophobicContact CB-CD1 3.59Å; P472-F476 HydrophobicContact CB-CE1 4.39Å; P472-F476 HydrophobicContact CB-CG 4.38Å; T473-F476 PolarHBondContact O-N 2.74Å; T473-F476 PolarHBondContact OG1-N 3.04Å; S474-F476 PolarHBondContact O-N 3.03Å; F476-D478 VanDerWaalsContact C-N 3.29Å; F476-D478 PolarHBondContact O-N 3.03Å; F476-R479 CarbonylContact O-C 3.43Å; F476-R479 WeakPolarHBondContact O-CA 3.42Å; F476-R479 PolarHBondContact O-N 2.78Å; F476-I480 HydrophobicContact CD1-CD1 4.11Å; F476-I480 HydrophobicContact CE1-CD1 3.6Å; F476-I480 HydrophobicContact CZ-CD1 3.99Å; F476-I480 PolarHBondContact O-N 2.73Å
477	Q	96.8	Very high	95.3	Very high	76 Å²	76	71.1 Å²	71.1	36%	0.355	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-38	175.7	-175.9	59	71.2	0	0	111.6	Y447 P472 T473 S474 R479 I480	Y447-Q477 PolarHBondContact OH-NE2 3.27Å; Y447-Q477 VanDerWaalsContact OH-NE2 3.12Å; Y447-Q477 PolarHBondContact OH-OE1 3.17Å; P472-Q477 HydrophobicContact CB-CB 4.32Å; P472-Q477 HydrophobicContact CG-CB 4.31Å; T473-Q477 WeakPolarHBondContact O-CB 3.34Å; T473-Q477 PolarHBondContact O-N 3.35Å; S474-Q477 PolarHBondContact O-N 2.75Å; Q477-R479 PolarHBondContact O-N 3.47Å; Q477-I480 WeakPolarHBondContact O-CB 3.37Å; Q477-I480 VanDerWaalsContact O-CG2 3.29Å; Q477-I480 WeakPolarHBondContact O-CG2 3.45Å; Q477-I480 PolarHBondContact O-N 3.01Å
478	D	95.2	Very high	95.9	Very high	142 Å²	142	69.8 Å²	69.8	76%	0.759	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25	172.9	-72.9	-16.9	0	0	0	112.9	S474 F476	S474-D478 PolarHBondContact O-N 3.18Å; F476-D478 VanDerWaalsContact C-N 3.29Å; F476-D478 PolarHBondContact O-N 3.03Å
479	R	96	Very high	96.2	Very high	180 Å²	180	67.1 Å²	67.1	68%	0.679	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	3.6	-178.2	-61	175.9	-172	-122.3	2.4	113.5	E475 F476 Q477 S481 G482	E475-R479 WeakPolarHBondContact O-CG 3.46Å; F476-R479 CarbonylContact O-C 3.43Å; F476-R479 WeakPolarHBondContact O-CA 3.42Å; F476-R479 PolarHBondContact O-N 2.78Å; Q477-R479 PolarHBondContact O-N 3.47Å; R479-S481 PolarHBondContact O-N 3.11Å; R479-S481 VanDerWaalsContact O-N 3.1Å; R479-G482 PolarHBondContact O-N 3.23Å
480	I	95.9	Very high	96.4	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.026	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.5	-169.2	-161.5	67.2	0	0	0	112.5	R443 N446 Y447 P472 F476 Q477 G482	R443-I480 VanDerWaalsContact CA-O 3.32Å; R443-I480 WeakPolarHBondContact CA-O 3.41Å; R443-I480 HydrophobicContact CG-CG1 4.37Å; R443-I480 HydrophobicContact CG-CG2 4.16Å; N446-I480 HydrophobicContact CB-CD1 3.63Å; N446-I480 HydrophobicContact CB-CG1 4.25Å; N446-I480 PolarHBondContact ND2-O 3.34Å; Y447-I480 HydrophobicContact CD2-CG1 4.22Å; Y447-I480 HydrophobicContact CE2-CD1 4.45Å; Y447-I480 HydrophobicContact CE2-CG1 3.69Å; P472-I480 HydrophobicContact CB-CD1 4.5Å; F476-I480 HydrophobicContact CD1-CD1 4.11Å; F476-I480 HydrophobicContact CE1-CD1 3.6Å; F476-I480 HydrophobicContact CZ-CD1 3.99Å; F476-I480 PolarHBondContact O-N 2.73Å; Q477-I480 WeakPolarHBondContact O-CB 3.37Å; Q477-I480 VanDerWaalsContact O-CG2 3.29Å; Q477-I480 WeakPolarHBondContact O-CG2 3.45Å; Q477-I480 PolarHBondContact O-N 3.01Å; I480-G482 VanDerWaalsContact C-N 3.32Å
481	S	95.5	Very high	96.5	Very high	35 Å²	35	66.3 Å²	66.3	25%	0.245	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.5	-179.8	-51.1	0	0	0	0	112.5	F439 R479	F439-S481 WeakPolarHBondContact CA-O 2.97Å; F439-S481 WeakPolarHBondContact CD1-O 3.15Å; R479-S481 PolarHBondContact O-N 3.11Å; R479-S481 VanDerWaalsContact O-N 3.1Å
482	G	95.5	Very high	96.6	Very high	28 Å²	28	61.9 Å²	61.9	29%	0.289	34%	0.339	S	S	.	.			trans	82.8	-168.2	-171.6	0	0	0	0	0	113.1	R479 I480	R479-G482 PolarHBondContact O-N 3.23Å; I480-G482 VanDerWaalsContact C-N 3.32Å
483	A	95.6	Very high	96.6	Very high	45 Å²	45	60.7 Å²	60.7	37%	0.372	33%	0.331	S	S	.	.			trans	-85.3	128.5	-170.4	0	0	0	0	0	113.1	D487 I488	A483-D487 HydrophobicContact CB-CB 4.12Å; A483-I488 HydrophobicContact CB-CD1 3.63Å; A483-I488 HydrophobicContact CB-CG1 3.96Å
484	S	96.5	Very high	96.6	Very high	33 Å²	33	58.1 Å²	58.1	23%	0.231	32%	0.318	C	S	.	.			trans	-83.5	172.8	167.1	74.8	0	0	0	0	112	K486 D487 I488	S484-K486 PolarHBondContact O-N 3.39Å; S484-K486 PolarHBondContact OG-N 3.41Å; S484-D487 VanDerWaalsContact CB-OD2 3.3Å; S484-D487 WeakPolarHBondContact CB-OD2 3.25Å; S484-D487 PolarHBondContact N-OD2 2.89Å; S484-D487 PolarHBondContact O-N 2.83Å; S484-D487 PolarHBondContact OG-N 2.78Å; S484-D487 PolarHBondContact OG-OD2 3.32Å; S484-I488 WeakPolarHBondContact O-CG1 3.34Å; S484-I488 PolarHBondContact O-N 2.75Å
485	E	96.1	Very high	96.7	Very high	28 Å²	28	60.5 Å²	60.5	13%	0.131	32%	0.316	C	S	.	.	H	α-helix	trans	-52.4	-42.5	173	-178.6	177.3	127	0	0	112.7	I248 H249 K427 D487 I488 V489	I248-E485 WeakPolarHBondContact CA-OE1 3.33Å; I248-E485 HydrophobicContact CD1-CG 4.25Å; I248-E485 HydrophobicContact CG1-CG 3.72Å; I248-E485 WeakPolarHBondContact CG1-OE1 3.24Å; H249-E485 HydrophobicContact CB-CG 4.32Å; H249-E485 PolarHBondContact N-OE1 3.5Å; K427-E485 WeakPolarHBondContact CD-OE2 3.38Å; K427-E485 WeakPolarHBondContact CE-OE2 3.22Å; K427-E485 VanDerWaalsContact NZ-CD 3.26Å; K427-E485 IonicContact NZ-OE1 3.56Å; K427-E485 PolarHBondContact NZ-OE1 2.94Å; K427-E485 IonicContact NZ-OE2 3.68Å; K427-E485 PolarHBondContact NZ-OE2 3.25Å; E485-D487 VanDerWaalsContact C-N 3.33Å; E485-D487 PolarHBondContact O-N 2.83Å; E485-I488 PolarHBondContact O-N 2.94Å; E485-V489 WeakPolarHBondContact O-CG2 3.44Å; E485-V489 PolarHBondContact O-N 2.97Å
486	K	96.3	Very high	96.8	Very high	105 Å²	105	56 Å²	56	46%	0.457	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-43.2	177.3	172.9	-179.8	174.7	-166.6	0	111.4	S484 V489 H490	S484-K486 PolarHBondContact O-N 3.39Å; S484-K486 PolarHBondContact OG-N 3.41Å; K486-V489 PolarHBondContact O-N 3.13Å; K486-H490 WeakPolarHBondContact O-CB 3.3Å; K486-H490 PolarHBondContact O-CD2 3Å; K486-H490 PolarHBondContact O-N 3.07Å
487	D	96.4	Very high	96.9	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-69.5	-40.9	-178	-53.5	-49.7	0	0	0	111.1	A483 S484 E485 H490 S491	A483-D487 HydrophobicContact CB-CB 4.12Å; S484-D487 VanDerWaalsContact CB-OD2 3.3Å; S484-D487 WeakPolarHBondContact CB-OD2 3.25Å; S484-D487 PolarHBondContact N-OD2 2.89Å; S484-D487 PolarHBondContact O-N 2.83Å; S484-D487 PolarHBondContact OG-N 2.78Å; S484-D487 PolarHBondContact OG-OD2 3.32Å; E485-D487 VanDerWaalsContact C-N 3.33Å; E485-D487 PolarHBondContact O-N 2.83Å; D487-H490 PolarHBondContact O-N 2.66Å; D487-S491 WeakPolarHBondContact O-CB 3.34Å; D487-S491 PolarHBondContact O-N 3.12Å; D487-S491 PolarHBondContact O-OG 2.87Å
488	I	97.4	Very high	97	Very high	49 Å²	49	52.1 Å²	52.1	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-46	175.7	-66.5	-62.2	0	0	0	110.7	Y434 A483 S484 E485 H490 G492	Y434-I488 HydrophobicContact CD1-CG1 4.05Å; Y434-I488 HydrophobicContact CE1-CG2 4.47Å; Y434-I488 HydrophobicContact CG-CG1 4.24Å; A483-I488 HydrophobicContact CB-CD1 3.63Å; A483-I488 HydrophobicContact CB-CG1 3.96Å; S484-I488 WeakPolarHBondContact O-CG1 3.34Å; S484-I488 PolarHBondContact O-N 2.75Å; E485-I488 PolarHBondContact O-N 2.94Å; I488-H490 PolarHBondContact O-N 2.86Å; I488-G492 WeakPolarHBondContact O-CA 3.38Å; I488-G492 PolarHBondContact O-N 3.02Å
489	V	97.6	Very high	97.2	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-47.2	178	170.5	0	0	0	0	110.9	I248 V420 F423 E485 K486 L493	I248-V489 HydrophobicContact CD1-CG2 3.57Å; I248-V489 HydrophobicContact CG1-CG2 3.81Å; V420-V489 HydrophobicContact CG1-CG1 3.82Å; V420-V489 HydrophobicContact CG1-CG2 4.41Å; V420-V489 HydrophobicContact CG2-CG1 3.85Å; F423-V489 HydrophobicContact CD2-CG2 4.34Å; E485-V489 WeakPolarHBondContact O-CG2 3.44Å; E485-V489 PolarHBondContact O-N 2.97Å; K486-V489 PolarHBondContact O-N 3.13Å; V489-L493 WeakPolarHBondContact O-CB 3.3Å; V489-L493 PolarHBondContact O-N 2.86Å
490	H	97.3	Very high	97.3	Very high	40 Å²	40	42.2 Å²	42.2	19%	0.185	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-52.9	-178.1	-68.4	176.3	0	0	0	112.4	R257 K486 D487 I488 A494	R257-H490 VanDerWaalsContact CZ-CD2 3.42Å; R257-H490 VanDerWaalsContact CZ-NE2 3.31Å; R257-H490 PolarHBondContact NH1-CD2 2.9Å; R257-H490 PolarHBondContact NH1-ND1 2.89Å; R257-H490 PolarHBondContact NH1-NE2 3.43Å; R257-H490 PolarHBondContact NH2-NE2 3.31Å; K486-H490 WeakPolarHBondContact O-CB 3.3Å; K486-H490 PolarHBondContact O-CD2 3Å; K486-H490 PolarHBondContact O-N 3.07Å; D487-H490 PolarHBondContact O-N 2.66Å; I488-H490 PolarHBondContact O-N 2.86Å; H490-A494 WeakPolarHBondContact O-CB 3.49Å; H490-A494 PolarHBondContact O-N 2.8Å
491	S	97.1	Very high	97.5	Very high	69 Å²	69	42 Å²	42	48%	0.483	23%	0.23	S	C	.	.	H	α-helix	trans	-70.1	-40.6	-177.2	59.9	0	0	0	0	112.2	D487 A494 Y495	D487-S491 WeakPolarHBondContact O-CB 3.34Å; D487-S491 PolarHBondContact O-N 3.12Å; D487-S491 PolarHBondContact O-OG 2.87Å; S491-A494 PolarHBondContact O-N 3.2Å; S491-Y495 VanDerWaalsContact O-CB 3.26Å; S491-Y495 WeakPolarHBondContact O-CB 3.38Å; S491-Y495 PolarHBondContact O-N 3.02Å
492	G	98.2	Very high	97.6	Very high	17 Å²	17	47 Å²	47	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176.1	0	0	0	0	0	112.2	I488 T496	I488-G492 WeakPolarHBondContact O-CA 3.38Å; I488-G492 PolarHBondContact O-N 3.02Å; G492-T496 WeakPolarHBondContact O-CB 3.5Å; G492-T496 PolarHBondContact O-N 3.29Å; G492-T496 PolarHBondContact O-OG1 3.46Å; G492-T496 VanDerWaalsContact O-OG1 3.05Å
493	L	98.4	Very high	97.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-48.8	175.5	177.4	59.9	0	0	0	111.8	R257 G416 T419 V420 V489 Y495 T496 M497	R257-L493 HydrophobicContact CB-CD2 3.95Å; R257-L493 HydrophobicContact CG-CD2 3.91Å; G416-L493 VanDerWaalsContact CA-CD1 3.4Å; T419-L493 HydrophobicContact CG2-CD1 4.19Å; V420-L493 HydrophobicContact CG2-CB 4.38Å; V420-L493 HydrophobicContact CG2-CD2 4.15Å; V489-L493 WeakPolarHBondContact O-CB 3.3Å; V489-L493 PolarHBondContact O-N 2.86Å; L493-Y495 PolarHBondContact O-N 3.16Å; L493-T496 PolarHBondContact O-N 3.2Å; L493-M497 HydrophobicContact CD1-CG 3.88Å; L493-M497 HydrophobicContact CD1-SD 4.34Å; L493-M497 HydrophobicContact CG-CG 4.39Å; L493-M497 VanDerWaalsContact O-CG 3.31Å; L493-M497 WeakPolarHBondContact O-CG 3.17Å; L493-M497 PolarHBondContact O-N 2.68Å
494	A	98.3	Very high	97.9	Very high	29 Å²	29	45.4 Å²	45.4	24%	0.24	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-48.5	177.5	0	0	0	0	0	111.5	H490 S491 T496 M497 E498	H490-A494 WeakPolarHBondContact O-CB 3.49Å; H490-A494 PolarHBondContact O-N 2.8Å; S491-A494 PolarHBondContact O-N 3.2Å; A494-T496 PolarHBondContact O-N 3.29Å; A494-M497 PolarHBondContact O-N 2.88Å; A494-E498 WeakPolarHBondContact O-CB 3.28Å; A494-E498 PolarHBondContact O-N 3.43Å
495	Y	98.6	Very high	98	Very high	131 Å²	131	45 Å²	45	51%	0.514	22%	0.215	S	C	.	.	H	α-helix	trans	-56.6	-48.3	177.3	169.1	-100.9	0	0	0	112.1	S491 L493 E498 R499	S491-Y495 VanDerWaalsContact O-CB 3.26Å; S491-Y495 WeakPolarHBondContact O-CB 3.38Å; S491-Y495 PolarHBondContact O-N 3.02Å; L493-Y495 PolarHBondContact O-N 3.16Å; Y495-E498 PolarHBondContact O-N 3.18Å; Y495-R499 WeakPolarHBondContact O-CB 3.42Å; Y495-R499 PolarHBondContact O-N 3.41Å; Y495-R499 PolarHBondContact OH-NH1 2.79Å
496	T	98.6	Very high	98.1	Very high	20 Å²	20	49.3 Å²	49.3	12%	0.123	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-44.9	-179.5	-65	0	0	0	0	111.4	V158 T419 G492 L493 A494 E498 R499 S500	V158-T496 HydrophobicContact CB-CG2 3.63Å; V158-T496 HydrophobicContact CG1-CG2 4.04Å; V158-T496 WeakPolarHBondContact O-CG2 3.3Å; T419-T496 HydrophobicContact CG2-CG2 4.11Å; G492-T496 WeakPolarHBondContact O-CB 3.5Å; G492-T496 PolarHBondContact O-N 3.29Å; G492-T496 PolarHBondContact O-OG1 3.46Å; G492-T496 VanDerWaalsContact O-OG1 3.05Å; L493-T496 PolarHBondContact O-N 3.2Å; A494-T496 PolarHBondContact O-N 3.29Å; T496-E498 PolarHBondContact O-N 3.27Å; T496-R499 PolarHBondContact O-N 2.95Å; T496-S500 WeakPolarHBondContact O-CB 3.38Å; T496-S500 PolarHBondContact O-N 2.91Å; T496-S500 PolarHBondContact O-OG 2.96Å
497	M	98.6	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-42.5	178.6	-66.4	-51.5	-67.1	0	0	112	G258 H261 Y412 L493 A494 A501	G258-M497 WeakPolarHBondContact O-CE 3.4Å; H261-M497 HydrophobicContact CB-CB 3.84Å; H261-M497 HydrophobicContact CB-CG 4.1Å; Y412-M497 HydrophobicContact CD2-CE 4.19Å; Y412-M497 HydrophobicContact CE1-CE 4.08Å; Y412-M497 HydrophobicContact CE2-CE 3.67Å; Y412-M497 WeakPolarHBondContact CE2-O 3.08Å; Y412-M497 HydrophobicContact CE2-SD 4.44Å; Y412-M497 WeakPolarHBondContact O-CE 3.23Å; Y412-M497 PolarHBondContact OH-O 3.44Å; L493-M497 HydrophobicContact CD1-CG 3.88Å; L493-M497 HydrophobicContact CD1-SD 4.34Å; L493-M497 HydrophobicContact CG-CG 4.39Å; L493-M497 VanDerWaalsContact O-CG 3.31Å; L493-M497 WeakPolarHBondContact O-CG 3.17Å; L493-M497 PolarHBondContact O-N 2.68Å; A494-M497 PolarHBondContact O-N 2.88Å; M497-A501 WeakPolarHBondContact O-CB 3.24Å; M497-A501 PolarHBondContact O-N 3.49Å
498	E	98.7	Very high	98.3	Very high	68 Å²	68	41.5 Å²	41.5	32%	0.318	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-49.5	176.7	-179.5	-169.8	168.9	0	0	111.8	N265 A494 Y495 T496 S500 A501 R502	N265-E498 WeakPolarHBondContact OD1-CA 3.49Å; A494-E498 WeakPolarHBondContact O-CB 3.28Å; A494-E498 PolarHBondContact O-N 3.43Å; Y495-E498 PolarHBondContact O-N 3.18Å; T496-E498 PolarHBondContact O-N 3.27Å; E498-S500 VanDerWaalsContact C-N 3.35Å; E498-S500 PolarHBondContact O-N 2.61Å; E498-A501 PolarHBondContact O-N 3.25Å; E498-R502 WeakPolarHBondContact O-CG 3.22Å; E498-R502 PolarHBondContact O-N 3.35Å; E498-R502 IonicContact OE1-CZ 2.78Å; E498-R502 IonicContact OE1-NE 3.98Å; E498-R502 IonicContact OE1-NH1 2.83Å; E498-R502 PolarHBondContact OE1-NH1 2.97Å; E498-R502 VanDerWaalsContact OE1-NH1 3.1Å; E498-R502 IonicContact OE1-NH2 2.71Å; E498-R502 PolarHBondContact OE1-NH2 3.24Å
499	R	98.7	Very high	98.3	Very high	113 Å²	113	43.6 Å²	43.6	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-47.7	179.1	178.9	-176.8	174.9	84.7	4	111.1	D159 Y495 T496 R502 Q503	D159-R499 IonicContact OD2-NE 2.63Å; Y495-R499 WeakPolarHBondContact O-CB 3.42Å; Y495-R499 PolarHBondContact O-N 3.41Å; Y495-R499 PolarHBondContact OH-NH1 2.79Å; T496-R499 PolarHBondContact O-N 2.95Å; R499-R502 PolarHBondContact O-N 2.93Å; R499-Q503 WeakPolarHBondContact O-CG 3.49Å; R499-Q503 PolarHBondContact O-N 3.01Å
500	S	98.7	Very high	98.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-37	-179.5	-67	0	0	0	0	112.4	I157 V158 T496 E498 R502 Q503 I504	I157-S500 PolarHBondContact O-OG 3.29Å; V158-S500 WeakPolarHBondContact CA-OG 3.44Å; T496-S500 WeakPolarHBondContact O-CB 3.38Å; T496-S500 PolarHBondContact O-N 2.91Å; T496-S500 PolarHBondContact O-OG 2.96Å; E498-S500 VanDerWaalsContact C-N 3.35Å; E498-S500 PolarHBondContact O-N 2.61Å; S500-R502 PolarHBondContact O-N 2.87Å; S500-Q503 PolarHBondContact O-N 3.25Å; S500-I504 VanDerWaalsContact O-CG1 3.31Å; S500-I504 WeakPolarHBondContact O-CG1 3.42Å; S500-I504 PolarHBondContact O-N 3.42Å
501	A	98.8	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-49.9	170.9	0	0	0	0	0	111	N265 F266 Y412 M497 E498 Q503 I504 M505	N265-A501 HydrophobicContact CB-CB 3.62Å; F266-A501 HydrophobicContact CE2-CB 4.11Å; F266-A501 HydrophobicContact CZ-CB 4.32Å; Y412-A501 HydrophobicContact CE2-CB 4.26Å; Y412-A501 VanDerWaalsContact OH-CB 3.26Å; Y412-A501 WeakPolarHBondContact OH-CB 3.26Å; M497-A501 WeakPolarHBondContact O-CB 3.24Å; M497-A501 PolarHBondContact O-N 3.49Å; E498-A501 PolarHBondContact O-N 3.25Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3Å; A501-I504 WeakPolarHBondContact O-CB 3.41Å; A501-I504 PolarHBondContact O-N 2.95Å; A501-M505 HydrophobicContact CB-CE 4.3Å; A501-M505 VanDerWaalsContact O-CG 3.25Å; A501-M505 WeakPolarHBondContact O-CG 3.25Å; A501-M505 PolarHBondContact O-N 3.3Å
502	R	98.6	Very high	98.3	Very high	140 Å²	140	54.6 Å²	54.6	53%	0.528	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-40.5	178.7	-72.5	-177.8	177.8	162.2	7.6	112.4	E498 R499 S500 I504 M505 Q506	E498-R502 WeakPolarHBondContact O-CG 3.22Å; E498-R502 PolarHBondContact O-N 3.35Å; E498-R502 IonicContact OE1-CZ 2.78Å; E498-R502 IonicContact OE1-NE 3.98Å; E498-R502 IonicContact OE1-NH1 2.83Å; E498-R502 PolarHBondContact OE1-NH1 2.97Å; E498-R502 VanDerWaalsContact OE1-NH1 3.1Å; E498-R502 IonicContact OE1-NH2 2.71Å; E498-R502 PolarHBondContact OE1-NH2 3.24Å; R499-R502 PolarHBondContact O-N 2.93Å; S500-R502 PolarHBondContact O-N 2.87Å; R502-I504 VanDerWaalsContact C-N 3.34Å; R502-I504 PolarHBondContact O-N 3.24Å; R502-M505 PolarHBondContact O-N 2.82Å; R502-Q506 WeakPolarHBondContact O-CB 3.48Å; R502-Q506 WeakPolarHBondContact O-CG 3.27Å; R502-Q506 PolarHBondContact O-N 3Å
503	Q	98.7	Very high	98.2	Very high	38 Å²	38	55.1 Å²	55.1	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-42.5	173.6	-72.6	177	2.6	0	0	111.6	R499 S500 A501 T507 N524	R499-Q503 WeakPolarHBondContact O-CG 3.49Å; R499-Q503 PolarHBondContact O-N 3.01Å; S500-Q503 PolarHBondContact O-N 3.25Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3Å; Q503-T507 WeakPolarHBondContact O-CB 3.48Å; Q503-T507 PolarHBondContact O-N 3.29Å; Q503-T507 PolarHBondContact O-OG1 2.92Å; Q503-T507 VanDerWaalsContact O-OG1 3.09Å; Q503-N524 VanDerWaalsContact C-ND2 3.33Å; Q503-N524 PolarHBondContact O-ND2 3.47Å
504	I	98.8	Very high	98.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-44.8	177.4	-68.3	166.4	0	0	0	110.8	I157 F266 Y412 S500 A501 R502 Q506 T507 T508 L517 A520 A521 N524	I157-I504 HydrophobicContact CG2-CD1 4.19Å; F266-I504 HydrophobicContact CZ-CG2 4.23Å; Y412-I504 HydrophobicContact CD1-CD1 4.33Å; Y412-I504 HydrophobicContact CD2-CD1 3.72Å; Y412-I504 HydrophobicContact CE2-CD1 4.47Å; Y412-I504 HydrophobicContact CG-CD1 3.63Å; S500-I504 VanDerWaalsContact O-CG1 3.31Å; S500-I504 WeakPolarHBondContact O-CG1 3.42Å; S500-I504 PolarHBondContact O-N 3.42Å; A501-I504 WeakPolarHBondContact O-CB 3.41Å; A501-I504 PolarHBondContact O-N 2.95Å; R502-I504 VanDerWaalsContact C-N 3.34Å; R502-I504 PolarHBondContact O-N 3.24Å; I504-Q506 PolarHBondContact O-N 3.32Å; I504-T507 PolarHBondContact O-N 3Å; I504-T508 WeakPolarHBondContact O-CB 3.45Å; I504-T508 PolarHBondContact O-N 2.87Å; I504-T508 PolarHBondContact O-OG1 2.96Å; I504-L517 HydrophobicContact CG2-CB 4.3Å; I504-L517 HydrophobicContact CG2-CD2 4.05Å; I504-A520 HydrophobicContact CG2-CB 4.01Å; I504-A521 HydrophobicContact CD1-CB 4.09Å; I504-A521 HydrophobicContact CG1-CB 4.29Å; I504-N524 PolarHBondContact N-ND2 3.48Å
505	M	98.6	Very high	98.1	Very high	24 Å²	24	55.6 Å²	55.6	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-43.8	177.2	-65.9	167.6	176.1	0	0	111.6	N265 F266 D269 F272 A501 R502 T508 S509	N265-M505 HydrophobicContact CB-CE 4.46Å; N265-M505 WeakPolarHBondContact O-CE 3.45Å; F266-M505 HydrophobicContact CD1-CE 3.42Å; F266-M505 VanDerWaalsContact CD1-CE 3.42Å; F266-M505 HydrophobicContact CD1-CG 4.37Å; F266-M505 HydrophobicContact CD2-CE 4.4Å; F266-M505 HydrophobicContact CE1-CE 3.5Å; F266-M505 HydrophobicContact CE1-CG 3.65Å; F266-M505 HydrophobicContact CE1-SD 4.45Å; F266-M505 HydrophobicContact CE2-CE 4.46Å; F266-M505 HydrophobicContact CG-CE 3.9Å; F266-M505 HydrophobicContact CZ-CE 4.03Å; F266-M505 HydrophobicContact CZ-CG 4.23Å; D269-M505 HydrophobicContact CB-CE 4.43Å; F272-M505 HydrophobicContact CE2-CB 4.45Å; F272-M505 HydrophobicContact CE2-CE 4.48Å; F272-M505 HydrophobicContact CE2-CG 3.82Å; F272-M505 HydrophobicContact CZ-CG 4.28Å; A501-M505 HydrophobicContact CB-CE 4.3Å; A501-M505 VanDerWaalsContact O-CG 3.25Å; A501-M505 WeakPolarHBondContact O-CG 3.25Å; A501-M505 PolarHBondContact O-N 3.3Å; R502-M505 PolarHBondContact O-N 2.82Å; M505-T508 WeakPolarHBondContact O-CB 3.43Å; M505-T508 PolarHBondContact O-N 3.49Å; M505-S509 PolarHBondContact O-N 3.04Å; M505-S509 PolarHBondContact O-OG 3.44Å
506	Q	98.4	Very high	98	Very high	120 Å²	120	49.8 Å²	49.8	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-61.9	-43.7	176.2	-74.6	171.2	3.8	0	0	111.9	R502 I504 S509 R510	R502-Q506 WeakPolarHBondContact O-CB 3.48Å; R502-Q506 WeakPolarHBondContact O-CG 3.27Å; R502-Q506 PolarHBondContact O-N 3Å; I504-Q506 PolarHBondContact O-N 3.32Å; Q506-S509 PolarHBondContact O-N 3.4Å; Q506-R510 WeakPolarHBondContact O-CB 3.41Å; Q506-R510 PolarHBondContact O-N 3.07Å
507	T	98.4	Very high	98	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-39.9	176.8	-65.2	0	0	0	0	111.8	Q503 I504 S509 R510 Y511 A520 V523 N524	Q503-T507 WeakPolarHBondContact O-CB 3.48Å; Q503-T507 PolarHBondContact O-N 3.29Å; Q503-T507 PolarHBondContact O-OG1 2.92Å; Q503-T507 VanDerWaalsContact O-OG1 3.09Å; I504-T507 PolarHBondContact O-N 3Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 3.26Å; T507-R510 PolarHBondContact O-N 3.07Å; T507-Y511 HydrophobicContact CG2-CD2 3.76Å; T507-Y511 HydrophobicContact CG2-CE2 4.05Å; T507-Y511 WeakPolarHBondContact O-CD2 3.17Å; T507-Y511 PolarHBondContact O-N 3.13Å; T507-A520 HydrophobicContact CG2-CB 4.03Å; T507-V523 HydrophobicContact CG2-CB 3.94Å; T507-V523 HydrophobicContact CG2-CG1 3.66Å; T507-N524 WeakPolarHBondContact CB-OD1 3.37Å; T507-N524 WeakPolarHBondContact CG2-OD1 3.25Å; T507-N524 PolarHBondContact OG1-OD1 3.38Å
508	T	97.5	Very high	98	Very high	4 Å²	4	49 Å²	49	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-44.9	174.3	-56.6	0	0	0	0	110.8	I504 M505 Q512 L513 G514 L517 A520	I504-T508 WeakPolarHBondContact O-CB 3.45Å; I504-T508 PolarHBondContact O-N 2.87Å; I504-T508 PolarHBondContact O-OG1 2.96Å; M505-T508 WeakPolarHBondContact O-CB 3.43Å; M505-T508 PolarHBondContact O-N 3.49Å; T508-Q512 CarbonylContact O-C 3.59Å; T508-Q512 WeakPolarHBondContact O-CA 3.05Å; T508-Q512 PolarHBondContact O-N 2.75Å; T508-L513 HydrophobicContact CG2-CB 4.09Å; T508-L513 PolarHBondContact O-N 2.96Å; T508-G514 WeakPolarHBondContact CG2-O 3.45Å; T508-L517 HydrophobicContact CG2-CD2 4.39Å; T508-A520 VanDerWaalsContact OG1-CB 3.31Å; T508-A520 WeakPolarHBondContact OG1-CB 3.48Å
509	S	97.2	Very high	98	Very high	93 Å²	93	45.9 Å²	45.9	65%	0.65	22%	0.215	S	C	*	.	H	α-helix	trans	-67.9	-44.1	176.3	-65.6	0	0	0	0	112.6	M505 Q506 T507 Y511 Q512	M505-S509 PolarHBondContact O-N 3.04Å; M505-S509 PolarHBondContact O-OG 3.44Å; Q506-S509 PolarHBondContact O-N 3.4Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 3.26Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.48Å; S509-Q512 PolarHBondContact O-N 3.5Å
510	R	97.5	Very high	98	Very high	143 Å²	143	40.5 Å²	40.5	54%	0.54	20%	0.195	S	C	.	.	H	α-helix	trans	-58.5	-43.4	-179.5	-178.8	-177.4	-65.8	159.9	1.8	112.3	Q506 T507	Q506-R510 WeakPolarHBondContact O-CB 3.41Å; Q506-R510 PolarHBondContact O-N 3.07Å; T507-R510 PolarHBondContact O-N 3.07Å
511	Y	97.7	Very high	98	Very high	46 Å²	46	40.4 Å²	40.4	18%	0.18	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	9.3	-177.2	-64.8	-72.9	0	0	0	113.6	I63 K67 T507 S509 L513 V523	I63-Y511 HydrophobicContact CG2-CD1 3.51Å; I63-Y511 HydrophobicContact CG2-CD2 4.13Å; I63-Y511 HydrophobicContact CG2-CE1 3.87Å; I63-Y511 HydrophobicContact CG2-CE2 4.45Å; I63-Y511 HydrophobicContact CG2-CG 3.64Å; K67-Y511 WeakPolarHBondContact CD-OH 3.47Å; T507-Y511 HydrophobicContact CG2-CD2 3.76Å; T507-Y511 HydrophobicContact CG2-CE2 4.05Å; T507-Y511 WeakPolarHBondContact O-CD2 3.17Å; T507-Y511 PolarHBondContact O-N 3.13Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.48Å; Y511-L513 VanDerWaalsContact C-N 3.27Å; Y511-L513 PolarHBondContact O-N 3.49Å; Y511-V523 HydrophobicContact CD2-CG1 4.37Å; Y511-V523 HydrophobicContact CE2-CG1 3.83Å
512	Q	97.1	Very high	98	Very high	154 Å²	154	40.5 Å²	40.5	72%	0.72	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	40.4	178.5	-57.4	179.3	-1.6	0	0	113.8	T508 S509 G514	T508-Q512 CarbonylContact O-C 3.59Å; T508-Q512 WeakPolarHBondContact O-CA 3.05Å; T508-Q512 PolarHBondContact O-N 2.75Å; S509-Q512 PolarHBondContact O-N 3.5Å; Q512-G514 PolarHBondContact O-N 3.05Å
513	L	96.7	Very high	98.1	Very high	28 Å²	28	33.8 Å²	33.8	15%	0.147	17%	0.17	C	C	.	.			trans	-78.8	-0.7	-172.7	-60.4	175	0	0	0	114.2	I63 T508 Y511 L515 D516 T519 A520	I63-L513 HydrophobicContact CD1-CD2 3.78Å; T508-L513 HydrophobicContact CG2-CB 4.09Å; T508-L513 PolarHBondContact O-N 2.96Å; Y511-L513 VanDerWaalsContact C-N 3.27Å; Y511-L513 PolarHBondContact O-N 3.49Å; L513-L515 PolarHBondContact O-N 3.42Å; L513-L515 VanDerWaalsContact O-N 3.12Å; L513-D516 HydrophobicContact CB-CB 4.31Å; L513-D516 VanDerWaalsContact O-CB 3.28Å; L513-D516 WeakPolarHBondContact O-CB 3.48Å; L513-D516 PolarHBondContact O-N 2.9Å; L513-T519 HydrophobicContact CD1-CG2 4.32Å; L513-A520 HydrophobicContact CD1-CB 3.83Å
514	G	96.1	Very high	98.1	Very high	26 Å²	26	32.4 Å²	32.4	27%	0.268	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-114.4	175.5	0	0	0	0	0	112.4	R275 T508 Q512	R275-G514 VanDerWaalsContact NH1-C 3.27Å; R275-G514 VanDerWaalsContact NH1-CA 3.33Å; R275-G514 PolarHBondContact NH1-O 2.9Å; T508-G514 WeakPolarHBondContact CG2-O 3.45Å; Q512-G514 PolarHBondContact O-N 3.05Å
515	L	97.5	Very high	98.1	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.068	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.7	175.8	-60.5	178.1	0	0	0	112.8	F272 R275 V276 L401 N404 L406 L513 L517	F272-L515 HydrophobicContact CD1-CD2 3.79Å; F272-L515 HydrophobicContact CE1-CD2 4.27Å; R275-L515 HydrophobicContact CB-CD2 4.09Å; V276-L515 HydrophobicContact CG1-CD1 4.12Å; L401-L515 HydrophobicContact CD2-CB 4.26Å; N404-L515 HydrophobicContact CB-CD1 4.34Å; L406-L515 HydrophobicContact CD1-CD2 4.17Å; L513-L515 PolarHBondContact O-N 3.42Å; L513-L515 VanDerWaalsContact O-N 3.12Å; L515-L517 PolarHBondContact O-N 3.18Å
516	D	98.2	Very high	98.1	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.043	16%	0.158	C	C	.	.			trans	-79.1	69.9	179.7	-176.9	5.1	0	0	0	111.5	R59 L401 L513 R518 T519 A520	R59-D516 IonicContact CZ-OD2 3.21Å; R59-D516 IonicContact NE-OD2 2.7Å; R59-D516 PolarHBondContact NE-OD2 3.17Å; R59-D516 IonicContact NH2-OD2 3.47Å; R59-D516 PolarHBondContact NH2-OD2 3.48Å; L401-D516 HydrophobicContact CD1-CB 4.19Å; L401-D516 HydrophobicContact CD2-CB 3.92Å; L513-D516 HydrophobicContact CB-CB 4.31Å; L513-D516 VanDerWaalsContact O-CB 3.28Å; L513-D516 WeakPolarHBondContact O-CB 3.48Å; L513-D516 PolarHBondContact O-N 2.9Å; D516-R518 VanDerWaalsContact C-N 3.28Å; D516-R518 PolarHBondContact O-N 3.2Å; D516-T519 VanDerWaalsContact CG-CB 3.41Å; D516-T519 WeakPolarHBondContact OD1-CB 3.34Å; D516-T519 PolarHBondContact OD1-N 3.34Å; D516-T519 PolarHBondContact OD1-OG1 3.29Å; D516-T519 WeakPolarHBondContact OD2-CB 3.37Å; D516-T519 PolarHBondContact OD2-OG1 2.88Å; D516-A520 PolarHBondContact O-N 2.63Å
517	L	98.6	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-29.5	178.4	-61.6	-170.7	0	0	0	112.3	F266 F272 L406 I408 P409 I504 T508 L515 A520 A521	F266-L517 HydrophobicContact CD1-CD1 3.8Å; F266-L517 HydrophobicContact CD2-CD1 4.46Å; F266-L517 HydrophobicContact CE1-CD1 3.42Å; F266-L517 VanDerWaalsContact CE1-CD1 3.42Å; F266-L517 HydrophobicContact CE1-CD2 3.86Å; F266-L517 HydrophobicContact CE1-CG 4.3Å; F266-L517 HydrophobicContact CE2-CD1 4.16Å; F266-L517 HydrophobicContact CG-CD1 4.32Å; F266-L517 HydrophobicContact CZ-CD1 3.64Å; F266-L517 HydrophobicContact CZ-CD2 4.38Å; F272-L517 HydrophobicContact CE1-CD2 3.76Å; F272-L517 HydrophobicContact CZ-CD2 3.97Å; L406-L517 HydrophobicContact CD1-CD1 3.54Å; L406-L517 HydrophobicContact CD1-CG 3.98Å; L406-L517 HydrophobicContact CG-CD1 4.47Å; I408-L517 HydrophobicContact CG1-CD1 4.42Å; P409-L517 HydrophobicContact CG-CB 4.27Å; I504-L517 HydrophobicContact CG2-CB 4.3Å; I504-L517 HydrophobicContact CG2-CD2 4.05Å; T508-L517 HydrophobicContact CG2-CD2 4.39Å; L515-L517 PolarHBondContact O-N 3.18Å; L517-A520 PolarHBondContact O-N 3.39Å; L517-A521 WeakPolarHBondContact O-CB 3.49Å; L517-A521 PolarHBondContact O-N 2.94Å
518	R	98.7	Very high	98	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-50.5	178.4	-171.6	-176.5	-54.2	-76.2	-0.4	110.4	F56 E386 D397 P409 D410 D516 A520 A521 Y522	F56-R518 VanDerWaalsContact CD1-CD 3.42Å; F56-R518 VanDerWaalsContact CE1-CD 3.45Å; E386-R518 IonicContact OE1-CZ 3.32Å; E386-R518 IonicContact OE1-NH1 2.9Å; E386-R518 IonicContact OE1-NH2 3.11Å; E386-R518 PolarHBondContact OE1-NH2 2.86Å; E386-R518 IonicContact OE2-CZ 2.73Å; E386-R518 IonicContact OE2-NH1 3.11Å; E386-R518 PolarHBondContact OE2-NH1 3.18Å; E386-R518 IonicContact OE2-NH2 3.5Å; E386-R518 PolarHBondContact OE2-NH2 3.22Å; E386-R518 VanDerWaalsContact OE2-NH2 3.08Å; D397-R518 IonicContact OD1-CZ 2.7Å; D397-R518 IonicContact OD1-NE 3.47Å; D397-R518 PolarHBondContact OD1-NE 2.68Å; D397-R518 IonicContact OD1-NH2 2.89Å; D397-R518 PolarHBondContact OD1-NH2 3.05Å; D397-R518 VanDerWaalsContact OD1-NH2 3.11Å; P409-R518 HydrophobicContact CB-CB 3.97Å; P409-R518 HydrophobicContact CB-CG 4.12Å; D410-R518 IonicContact OD1-NH1 2.94Å; D410-R518 PolarHBondContact OD1-NH1 3.39Å; D516-R518 VanDerWaalsContact C-N 3.28Å; D516-R518 PolarHBondContact O-N 3.2Å; R518-A520 PolarHBondContact O-N 2.77Å; R518-A521 WeakPolarHBondContact O-CB 3.47Å; R518-A521 PolarHBondContact O-N 2.96Å; R518-Y522 HydrophobicContact CG-CD2 4.08Å; R518-Y522 HydrophobicContact CG-CE2 3.99Å; R518-Y522 WeakPolarHBondContact O-CD2 3.3Å; R518-Y522 PolarHBondContact O-N 2.94Å
519	T	98.7	Very high	98.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-40.7	178.8	-60.4	0	0	0	0	111.7	R59 I63 L513 D516 A521 Y522 V523	R59-T519 VanDerWaalsContact CD-OG1 3.28Å; R59-T519 WeakPolarHBondContact CD-OG1 3.32Å; R59-T519 HydrophobicContact CG-CG2 3.98Å; R59-T519 PolarHBondContact NE-OG1 3.12Å; R59-T519 VanDerWaalsContact NE-OG1 3.11Å; I63-T519 HydrophobicContact CD1-CG2 3.14Å; L513-T519 HydrophobicContact CD1-CG2 4.32Å; D516-T519 VanDerWaalsContact CG-CB 3.41Å; D516-T519 WeakPolarHBondContact OD1-CB 3.34Å; D516-T519 PolarHBondContact OD1-N 3.34Å; D516-T519 PolarHBondContact OD1-OG1 3.29Å; D516-T519 WeakPolarHBondContact OD2-CB 3.37Å; D516-T519 PolarHBondContact OD2-OG1 2.88Å; T519-A521 VanDerWaalsContact C-N 3.29Å; T519-A521 PolarHBondContact O-N 2.7Å; T519-Y522 PolarHBondContact O-N 2.89Å; T519-V523 WeakPolarHBondContact O-CG2 3.45Å; T519-V523 PolarHBondContact O-N 3Å
520	A	98.7	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-39.6	174.3	0	0	0	0	0	112.4	I504 T507 T508 L513 D516 L517 R518 V523 N524	I504-A520 HydrophobicContact CG2-CB 4.01Å; T507-A520 HydrophobicContact CG2-CB 4.03Å; T508-A520 VanDerWaalsContact OG1-CB 3.31Å; T508-A520 WeakPolarHBondContact OG1-CB 3.48Å; L513-A520 HydrophobicContact CD1-CB 3.83Å; D516-A520 PolarHBondContact O-N 2.63Å; L517-A520 PolarHBondContact O-N 3.39Å; R518-A520 PolarHBondContact O-N 2.77Å; A520-V523 PolarHBondContact O-N 3.06Å; A520-N524 PolarHBondContact O-N 2.74Å; A520-N524 VanDerWaalsContact O-N 3.11Å
521	A	98.7	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-42.5	175.7	0	0	0	0	0	112.2	I157 P409 M411 I504 L517 R518 T519 N524 A525	I157-A521 HydrophobicContact CD1-CB 3.82Å; I157-A521 HydrophobicContact CG1-CB 4.4Å; P409-A521 HydrophobicContact CG-CB 4.17Å; M411-A521 HydrophobicContact CE-CB 4.15Å; I504-A521 HydrophobicContact CD1-CB 4.09Å; I504-A521 HydrophobicContact CG1-CB 4.29Å; L517-A521 WeakPolarHBondContact O-CB 3.49Å; L517-A521 PolarHBondContact O-N 2.94Å; R518-A521 WeakPolarHBondContact O-CB 3.47Å; R518-A521 PolarHBondContact O-N 2.96Å; T519-A521 VanDerWaalsContact C-N 3.29Å; T519-A521 PolarHBondContact O-N 2.7Å; A521-N524 PolarHBondContact O-N 2.81Å; A521-A525 PolarHBondContact O-N 3.33Å
522	Y	98.7	Very high	97.9	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-41.5	173.5	-88.1	-78.2	0	0	0	112.5	F56 F57 Y153 M411 R518 T519 N524 A525 I526	F56-Y522 HydrophobicContact CB-CD2 3.79Å; F56-Y522 HydrophobicContact CB-CE1 4.23Å; F56-Y522 HydrophobicContact CB-CE2 3.19Å; F56-Y522 VanDerWaalsContact CB-CZ 3.44Å; F56-Y522 HydrophobicContact CD2-CE2 4.35Å; F56-Y522 HydrophobicContact CG-CE2 4.02Å; F57-Y522 HydrophobicContact CB-CD1 4.22Å; F57-Y522 HydrophobicContact CB-CE1 4.12Å; F57-Y522 HydrophobicContact CD2-CD1 4.5Å; Y153-Y522 HydrophobicContact CD2-CD1 4.33Å; Y153-Y522 AromaticContact CD2-CE1 3.54Å; Y153-Y522 HydrophobicContact CD2-CE1 3.54Å; Y153-Y522 AromaticContact CE2-CE1 3.87Å; Y153-Y522 HydrophobicContact CE2-CE1 3.87Å; Y153-Y522 HydrophobicContact CG-CD1 4.48Å; Y153-Y522 HydrophobicContact CG-CE1 4.08Å; M411-Y522 HydrophobicContact CE-CD1 3.92Å; M411-Y522 HydrophobicContact CE-CD2 3.21Å; M411-Y522 HydrophobicContact CE-CE1 3.84Å; M411-Y522 HydrophobicContact CE-CE2 3.04Å; M411-Y522 HydrophobicContact CE-CG 3.63Å; M411-Y522 VanDerWaalsContact CE-CZ 3.4Å; M411-Y522 HydrophobicContact SD-CD1 4.28Å; M411-Y522 HydrophobicContact SD-CD2 4.3Å; M411-Y522 HydrophobicContact SD-CE1 3.7Å; M411-Y522 HydrophobicContact SD-CE2 3.67Å; R518-Y522 HydrophobicContact CG-CD2 4.08Å; R518-Y522 HydrophobicContact CG-CE2 3.99Å; R518-Y522 WeakPolarHBondContact O-CD2 3.3Å; R518-Y522 PolarHBondContact O-N 2.94Å; T519-Y522 PolarHBondContact O-N 2.89Å; Y522-N524 VanDerWaalsContact C-N 3.33Å; Y522-N524 PolarHBondContact O-N 3.47Å; Y522-A525 PolarHBondContact O-N 2.67Å; Y522-I526 WeakPolarHBondContact O-CB 3.26Å; Y522-I526 WeakPolarHBondContact O-CD1 3.42Å; Y522-I526 WeakPolarHBondContact O-CG1 3.27Å; Y522-I526 PolarHBondContact O-N 2.89Å
523	V	98.8	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.4	-50.3	174.1	167	0	0	0	0	110.1	I63 V64 T507 Y511 T519 A520 A525 I526 E527	I63-V523 HydrophobicContact CB-CG2 4.1Å; I63-V523 HydrophobicContact CG2-CG2 3.93Å; V64-V523 HydrophobicContact CB-CG1 4.1Å; V64-V523 HydrophobicContact CG2-CG1 4.06Å; T507-V523 HydrophobicContact CG2-CB 3.94Å; T507-V523 HydrophobicContact CG2-CG1 3.66Å; Y511-V523 HydrophobicContact CD2-CG1 4.37Å; Y511-V523 HydrophobicContact CE2-CG1 3.83Å; T519-V523 WeakPolarHBondContact O-CG2 3.45Å; T519-V523 PolarHBondContact O-N 3Å; A520-V523 PolarHBondContact O-N 3.06Å; V523-A525 PolarHBondContact O-N 2.94Å; V523-I526 PolarHBondContact O-N 3.45Å; V523-E527 WeakPolarHBondContact O-CG 3.24Å; V523-E527 PolarHBondContact O-N 2.68Å
524	N	98.7	Very high	97.5	Very high	9 Å²	9	15.5 Å²	15.5	5%	0.048	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-42.3	178.5	-70.4	-6.6	0	0	0	112.6	Q503 I504 T507 A520 A521 Y522 K528	Q503-N524 VanDerWaalsContact C-ND2 3.33Å; Q503-N524 PolarHBondContact O-ND2 3.47Å; I504-N524 PolarHBondContact N-ND2 3.48Å; T507-N524 WeakPolarHBondContact CB-OD1 3.37Å; T507-N524 WeakPolarHBondContact CG2-OD1 3.25Å; T507-N524 PolarHBondContact OG1-OD1 3.38Å; A520-N524 PolarHBondContact O-N 2.74Å; A520-N524 VanDerWaalsContact O-N 3.11Å; A521-N524 PolarHBondContact O-N 2.81Å; Y522-N524 VanDerWaalsContact C-N 3.33Å; Y522-N524 PolarHBondContact O-N 3.47Å; N524-K528 VanDerWaalsContact O-CG 3.32Å; N524-K528 WeakPolarHBondContact O-CG 3.17Å; N524-K528 PolarHBondContact O-N 3.35Å
525	A	98.7	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-47.6	177.3	0	0	0	0	0	111.7	Y153 A156 I157 A521 Y522 V523 E527 K528 I529	Y153-A525 HydrophobicContact CD1-CB 4.31Å; A156-A525 HydrophobicContact CB-CB 4.15Å; I157-A525 HydrophobicContact CD1-CB 4.39Å; I157-A525 HydrophobicContact CG1-CB 4.08Å; A521-A525 PolarHBondContact O-N 3.33Å; Y522-A525 PolarHBondContact O-N 2.67Å; V523-A525 PolarHBondContact O-N 2.94Å; A525-E527 PolarHBondContact O-N 2.85Å; A525-K528 PolarHBondContact O-N 3.09Å; A525-I529 WeakPolarHBondContact O-CD1 3.4Å; A525-I529 VanDerWaalsContact O-CG1 3.28Å; A525-I529 WeakPolarHBondContact O-CG1 3.21Å; A525-I529 PolarHBondContact O-N 2.91Å
526	I	98.6	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-47.1	-179	-70.7	166.3	0	0	0	110.3	F57 A61 V64 L68 L89 Y522 V523 K528 I529 F530	F57-I526 HydrophobicContact CD2-CD1 3.89Å; F57-I526 HydrophobicContact CD2-CG1 3.85Å; F57-I526 HydrophobicContact CE2-CD1 3.86Å; F57-I526 HydrophobicContact CE2-CG1 3.48Å; F57-I526 VanDerWaalsContact CE2-CG1 3.48Å; F57-I526 HydrophobicContact CG-CD1 4.31Å; F57-I526 HydrophobicContact CZ-CD1 4.2Å; F57-I526 HydrophobicContact CZ-CG1 4.05Å; A61-I526 HydrophobicContact CB-CD1 4.05Å; A61-I526 VanDerWaalsContact N-CD1 3.31Å; V64-I526 HydrophobicContact CG1-CB 4.4Å; V64-I526 HydrophobicContact CG1-CG2 3.78Å; L68-I526 HydrophobicContact CD1-CG2 4.16Å; L89-I526 HydrophobicContact CD2-CG2 3.55Å; Y522-I526 WeakPolarHBondContact O-CB 3.26Å; Y522-I526 WeakPolarHBondContact O-CD1 3.42Å; Y522-I526 WeakPolarHBondContact O-CG1 3.27Å; Y522-I526 PolarHBondContact O-N 2.89Å; V523-I526 PolarHBondContact O-N 3.45Å; I526-K528 VanDerWaalsContact C-N 3.33Å; I526-K528 PolarHBondContact O-N 2.61Å; I526-I529 PolarHBondContact O-N 3.3Å; I526-F530 WeakPolarHBondContact O-CA 3.23Å; I526-F530 WeakPolarHBondContact O-CB 3.43Å; I526-F530 PolarHBondContact O-N 3.4Å
527	E	98.3	Very high	95.9	Very high	35 Å²	35	22.7 Å²	22.7	16%	0.164	13%	0.128	C	C	.	.	H	α-helix	trans	-56.3	-47.1	178.3	-72.1	-174.9	171.7	0	0	112.2	V64 K67 L68 V523 A525 K531	V64-E527 HydrophobicContact CG2-CG 3.56Å; V64-E527 VanDerWaalsContact CG2-OE1 3.23Å; V64-E527 WeakPolarHBondContact CG2-OE1 3.25Å; K67-E527 WeakPolarHBondContact CD-OE1 3.29Å; K67-E527 IonicContact NZ-OE1 3.09Å; K67-E527 PolarHBondContact NZ-OE1 3.19Å; K67-E527 IonicContact NZ-OE2 3.81Å; K67-E527 PolarHBondContact NZ-OE2 3.13Å; L68-E527 HydrophobicContact CD2-CG 4.35Å; V523-E527 WeakPolarHBondContact O-CG 3.24Å; V523-E527 PolarHBondContact O-N 2.68Å; A525-E527 PolarHBondContact O-N 2.85Å; E527-K531 WeakPolarHBondContact O-CB 3.25Å; E527-K531 PolarHBondContact O-N 2.98Å
528	K	98.3	Very high	94.7	Very high	53 Å²	53	25 Å²	25	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-66.7	-44.7	-177.7	-68.2	174	-172.3	-171.6	0	112	A156 I157 D159 N524 A525 I526	A156-K528 HydrophobicContact CB-CB 4.41Å; A156-K528 WeakPolarHBondContact O-CD 3.36Å; A156-K528 WeakPolarHBondContact O-CE 3.33Å; A156-K528 PolarHBondContact O-NZ 3.26Å; I157-K528 PolarHBondContact O-NZ 2.84Å; D159-K528 VanDerWaalsContact CG-NZ 3.35Å; D159-K528 WeakPolarHBondContact OD1-CE 3.45Å; D159-K528 IonicContact OD1-NZ 3.57Å; D159-K528 PolarHBondContact OD1-NZ 2.83Å; D159-K528 IonicContact OD2-NZ 3.87Å; N524-K528 VanDerWaalsContact O-CG 3.32Å; N524-K528 WeakPolarHBondContact O-CG 3.17Å; N524-K528 PolarHBondContact O-N 3.35Å; A525-K528 PolarHBondContact O-N 3.09Å; I526-K528 VanDerWaalsContact C-N 3.33Å; I526-K528 PolarHBondContact O-N 2.61Å
529	I	97.8	Very high	92.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.9	-45.6	179.7	-62.8	162.1	0	0	0	110	I92 T152 Y153 A156 A525 I526 K531 V532 Y533	I92-I529 HydrophobicContact CD1-CB 4.46Å; I92-I529 HydrophobicContact CD1-CG2 3.78Å; I92-I529 HydrophobicContact CG1-CG2 3.89Å; I92-I529 HydrophobicContact CG2-CG2 4.05Å; T152-I529 HydrophobicContact CG2-CD1 3.79Å; Y153-I529 HydrophobicContact CD1-CD1 3.66Å; Y153-I529 HydrophobicContact CE1-CD1 4.07Å; A156-I529 HydrophobicContact CB-CD1 4Å; A156-I529 HydrophobicContact CB-CG1 3.9Å; A525-I529 WeakPolarHBondContact O-CD1 3.4Å; A525-I529 VanDerWaalsContact O-CG1 3.28Å; A525-I529 WeakPolarHBondContact O-CG1 3.21Å; A525-I529 PolarHBondContact O-N 2.91Å; I526-I529 PolarHBondContact O-N 3.3Å; I529-K531 PolarHBondContact O-N 3.33Å; I529-V532 WeakPolarHBondContact O-CB 3.48Å; I529-V532 PolarHBondContact O-N 3.38Å; I529-Y533 HydrophobicContact CG2-CD2 3.88Å; I529-Y533 WeakPolarHBondContact O-CD2 3.46Å; I529-Y533 HydrophobicContact CG2-CE2 3.79Å; I529-Y533 PolarHBondContact O-N 2.98Å
530	F	96.9	Very high	91.1	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-54.6	-42.6	177.4	-178.5	-87.2	0	0	0	111.3	L68 L72 V85 I88 L89 I526 V532 Y533 S534	L68-F530 HydrophobicContact CB-CE1 4.24Å; L68-F530 HydrophobicContact CB-CZ 4.28Å; L68-F530 HydrophobicContact CD1-CB 4.41Å; L68-F530 HydrophobicContact CD1-CD1 4.36Å; L68-F530 HydrophobicContact CD1-CD2 3.79Å; L68-F530 HydrophobicContact CD1-CE2 4.11Å; L68-F530 HydrophobicContact CD1-CG 3.92Å; L68-F530 HydrophobicContact CD2-CB 4.29Å; L68-F530 HydrophobicContact CD2-CD1 3.73Å; L68-F530 HydrophobicContact CD2-CE1 4.23Å; L68-F530 HydrophobicContact CD2-CG 3.95Å; L68-F530 HydrophobicContact CG-CD1 4.42Å; L68-F530 HydrophobicContact CG-CG 4.45Å; L72-F530 HydrophobicContact CD1-CZ 4.1Å; L72-F530 HydrophobicContact CG-CE1 4.39Å; L72-F530 HydrophobicContact CG-CZ 4.41Å; V85-F530 HydrophobicContact CB-CE2 4.23Å; V85-F530 HydrophobicContact CB-CZ 4.37Å; V85-F530 HydrophobicContact CG1-CE2 4.08Å; V85-F530 HydrophobicContact CG1-CZ 4.49Å; V85-F530 HydrophobicContact CG2-CE2 4.14Å; V85-F530 HydrophobicContact CG2-CZ 3.78Å; I88-F530 HydrophobicContact CB-CD2 3.97Å; I88-F530 HydrophobicContact CB-CE2 3.65Å; I88-F530 HydrophobicContact CD1-CD2 4.38Å; I88-F530 HydrophobicContact CD1-CE2 3.63Å; I88-F530 HydrophobicContact CD1-CZ 3.73Å; I88-F530 HydrophobicContact CG1-CE2 4.17Å; I88-F530 HydrophobicContact CG2-CD2 3.5Å; I88-F530 VanDerWaalsContact CG2-CD2 3.5Å; I88-F530 HydrophobicContact CG2-CE2 3.7Å; I88-F530 HydrophobicContact CG2-CG 4.38Å; L89-F530 HydrophobicContact CD2-CD2 4.37Å; I526-F530 WeakPolarHBondContact O-CA 3.23Å; I526-F530 WeakPolarHBondContact O-CB 3.43Å; I526-F530 PolarHBondContact O-N 3.4Å; F530-V532 VanDerWaalsContact C-N 3.27Å; F530-V532 PolarHBondContact O-N 3.11Å; F530-Y533 PolarHBondContact O-N 3.39Å; F530-Y533 VanDerWaalsContact O-N 3.16Å; F530-S534 WeakPolarHBondContact O-CB 3.3Å; F530-S534 PolarHBondContact O-N 3.09Å; F530-S534 PolarHBondContact O-OG 2.83Å
531	K	95.7	Very high	89.1	Confident	115 Å²	115	43.2 Å²	43.2	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-37.6	178.8	-174.5	56.2	175.7	151.6	0	112.8	E527 I529 S534 D535	E527-K531 WeakPolarHBondContact O-CB 3.25Å; E527-K531 PolarHBondContact O-N 2.98Å; I529-K531 PolarHBondContact O-N 3.33Å; K531-S534 PolarHBondContact O-OG 3.43Å; K531-S534 WeakPolarHBondContact CA-OG 3.4Å; K531-D535 WeakPolarHBondContact CE-OD2 3.47Å; K531-D535 IonicContact NZ-OD1 2.88Å; K531-D535 PolarHBondContact NZ-OD1 2.77Å; K531-D535 IonicContact NZ-OD2 2.95Å; K531-D535 PolarHBondContact NZ-OD2 3.01Å; K531-D535 WeakPolarHBondContact O-CB 3.39Å; K531-D535 PolarHBondContact O-N 2.92Å
532	V	96	Very high	88.6	Confident	27 Å²	27	45.4 Å²	45.4	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-45.2	176.2	178.4	0	0	0	0	110.9	H125 I529 F530 D535 S536	H125-V532 HydrophobicContact CB-CG1 4.01Å; H125-V532 WeakPolarHBondContact O-CG1 3.36Å; I529-V532 WeakPolarHBondContact O-CB 3.48Å; I529-V532 PolarHBondContact O-N 3.38Å; F530-V532 VanDerWaalsContact C-N 3.27Å; F530-V532 PolarHBondContact O-N 3.11Å; V532-D535 PolarHBondContact O-N 3.26Å; V532-S536 WeakPolarHBondContact O-CB 3.3Å; V532-S536 PolarHBondContact O-N 2.93Å; V532-S536 VanDerWaalsContact O-N 3.15Å; V532-S536 PolarHBondContact O-OG 3.4Å; V532-S536 VanDerWaalsContact O-CB 3.25Å
533	Y	94.4	Very high	88.1	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-40.7	176.8	-82.2	-81.4	0	0	0	112.6	I88 I91 I92 S123 H125 I529 F530 D535 S536 L538	I88-Y533 HydrophobicContact CG2-CG 4.16Å; I91-Y533 HydrophobicContact CG2-CD1 4.43Å; I91-Y533 HydrophobicContact CG2-CE1 3.85Å; I92-Y533 HydrophobicContact CD1-CD2 4.06Å; I92-Y533 HydrophobicContact CD1-CE2 4.47Å; I92-Y533 HydrophobicContact CG1-CD2 3.8Å; I92-Y533 HydrophobicContact CG1-CE2 3.75Å; S123-Y533 PolarHBondContact OG-OH 3.45Å; H125-Y533 HydrophobicContact CB-CD2 4.36Å; H125-Y533 HydrophobicContact CB-CE2 3.69Å; I529-Y533 HydrophobicContact CG2-CD2 3.88Å; I529-Y533 WeakPolarHBondContact O-CD2 3.46Å; I529-Y533 HydrophobicContact CG2-CE2 3.79Å; I529-Y533 PolarHBondContact O-N 2.98Å; F530-Y533 PolarHBondContact O-N 3.39Å; F530-Y533 VanDerWaalsContact O-N 3.16Å; Y533-D535 VanDerWaalsContact C-N 3.26Å; Y533-D535 PolarHBondContact O-N 3.27Å; Y533-S536 PolarHBondContact O-OG 2.74Å; Y533-S536 PolarHBondContact O-N 3.45Å; Y533-S536 WeakPolarHBondContact CA-OG 3.49Å; Y533-L538 HydrophobicContact CD1-CD2 4.06Å; Y533-L538 HydrophobicContact CG-CD2 4.39Å; Y533-L538 WeakPolarHBondContact O-CD2 3.12Å
534	S	92.1	Very high	87.5	Confident	21 Å²	21	50.4 Å²	50.4	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-37.2	-179.3	68.2	0	0	0	0	112.2	F530 K531	F530-S534 WeakPolarHBondContact O-CB 3.3Å; F530-S534 PolarHBondContact O-N 3.09Å; F530-S534 PolarHBondContact O-OG 2.83Å; K531-S534 PolarHBondContact O-OG 3.43Å; K531-S534 WeakPolarHBondContact CA-OG 3.4Å
535	D	91.6	Very high	86.8	Confident	105 Å²	105	52.8 Å²	52.8	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-89.1	-19.2	-173.6	-65.2	1.8	0	0	0	113	K531 V532 Y533	K531-D535 WeakPolarHBondContact CE-OD2 3.47Å; K531-D535 IonicContact NZ-OD1 2.88Å; K531-D535 PolarHBondContact NZ-OD1 2.77Å; K531-D535 IonicContact NZ-OD2 2.95Å; K531-D535 PolarHBondContact NZ-OD2 3.01Å; K531-D535 WeakPolarHBondContact O-CB 3.39Å; K531-D535 PolarHBondContact O-N 2.92Å; V532-D535 PolarHBondContact O-N 3.26Å; Y533-D535 VanDerWaalsContact C-N 3.26Å; Y533-D535 PolarHBondContact O-N 3.27Å
536	S	87.7	Confident	86.1	Confident	47 Å²	47	56.1 Å²	56.1	33%	0.329	30%	0.299	S	S	.	.	H	α-helix	trans	-94.4	-4.5	-175.2	54.6	0	0	0	0	115.6	V532 Y533 L538 T541	V532-S536 WeakPolarHBondContact O-CB 3.3Å; V532-S536 PolarHBondContact O-N 2.93Å; V532-S536 VanDerWaalsContact O-N 3.15Å; V532-S536 PolarHBondContact O-OG 3.4Å; V532-S536 VanDerWaalsContact O-CB 3.25Å; Y533-S536 PolarHBondContact O-OG 2.74Å; Y533-S536 PolarHBondContact O-N 3.45Å; Y533-S536 WeakPolarHBondContact CA-OG 3.49Å; S536-L538 VanDerWaalsContact C-N 3.33Å; S536-L538 PolarHBondContact O-N 2.9Å; S536-T541 VanDerWaalsContact CB-CG2 3.43Å
537	G	78.8	Confident	85.2	Confident	45 Å²	45	59.9 Å²	59.9	46%	0.464	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	14	-179.6	0	0	0	0	0	115	I539	G537-I539 VanDerWaalsContact C-N 3.28Å; G537-I539 PolarHBondContact O-N 3.1Å
538	L	72.5	Confident	84.3	Confident	48 Å²	48	61.6 Å²	61.6	25%	0.251	33%	0.33	S	S	.	.	S	Bend	trans	71.1	-17.2	165.1	-55.1	176.1	0	0	0	119.3	I88 Y533 S536	I88-L538 HydrophobicContact CD1-CD1 4.28Å; I88-L538 HydrophobicContact CD1-CD2 3.71Å; I88-L538 HydrophobicContact CG1-CD1 3.99Å; I88-L538 HydrophobicContact CG1-CD2 3.5Å; I88-L538 VanDerWaalsContact CG1-CD2 3.5Å; I88-L538 HydrophobicContact CG1-CG 4.4Å; I88-L538 HydrophobicContact CG2-CD2 4.47Å; Y533-L538 HydrophobicContact CD1-CD2 4.06Å; Y533-L538 HydrophobicContact CG-CD2 4.39Å; Y533-L538 WeakPolarHBondContact O-CD2 3.12Å; S536-L538 VanDerWaalsContact C-N 3.33Å; S536-L538 PolarHBondContact O-N 2.9Å
539	I	62.1	Low	83.2	Confident	133 Å²	133	62.3 Å²	62.3	68%	0.682	34%	0.337	S	S	*	.	S	Bend	trans	-102.3	-35.7	-165.8	-60	173.4	0	0	0	113.4	G537	G537-I539 VanDerWaalsContact C-N 3.28Å; G537-I539 PolarHBondContact O-N 3.1Å
540	F	59.2	Low	82	Confident	194 Å²	194	67.5 Å²	67.5	85%	0.851	37%	0.366	S	S	*	.			trans	-125.2	74.2	-176.2	-60.6	-70.4	0	0	0	111
541	T	57.2	Low	80.7	Confident	63 Å²	63	72.9 Å²	72.9	39%	0.387	40%	0.396	S	S	.	.			trans	-151.5	0	176.3	31.7	0	0	0	0	111.8	Q124 S536	Q124-T541 WeakPolarHBondContact CB-OXT 3.05Å; S536-T541 VanDerWaalsContact CB-CG2 3.43Å

Retrieved 541 of 541 residues in 1127.9 ms (Link to these results)

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