A0A087X932_POEFO Loading...

Acetyl-coenzyme A synthetase

AlphaFold DB , UniProt , Accession A0A087X932, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 746 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	32.4	Very low	241 Å²	241	147.8 Å²	147.8	100%	1.187	84%	0.842	S	S	*	*				0	77.5	0	-82.6	-172.5	-93.5	0	0	110.1
2	L	31.9	Very low	32.2	Very low	168 Å²	168	148.4 Å²	148.4	88%	0.88	84%	0.84	S	S	*	*			trans	-147.5	9.2	175.7	-110.8	147.6	0	0	0	114.3
3	N	29.1	Very low	32.2	Very low	165 Å²	165	153.7 Å²	153.7	88%	0.882	85%	0.849	S	S	*	*	S	Bend	trans	-124.3	16.5	-179.5	-79.4	-9	0	0	0	114.8
4	C	30.7	Very low	31.9	Very low	112 Å²	112	150 Å²	150	76%	0.757	84%	0.839	S	S	*	*	S	Bend	trans	-111	5.5	-179.5	-112.2	0	0	0	0	114.9
5	V	36.4	Very low	31.7	Very low	132 Å²	132	151.5 Å²	151.5	80%	0.8	84%	0.843	S	S	*	*	S	Bend	trans	-99.9	-4.7	-174.6	-174.2	0	0	0	0	112.7
6	A	30.6	Very low	31.5	Very low	97 Å²	97	153.1 Å²	153.1	80%	0.802	84%	0.841	S	S	*	*	S	Bend	trans	-96.6	-2.3	-173.8	0	0	0	0	0	115.9
7	S	33	Very low	32.3	Very low	101 Å²	101	150.4 Å²	150.4	71%	0.706	83%	0.833	S	S	*	*	S	Bend	trans	-111.7	12.7	-172.1	67.7	0	0	0	0	115.8
8	L	31	Very low	32	Very low	142 Å²	142	147.9 Å²	147.9	74%	0.743	84%	0.836	S	S	*	*	S	Bend	trans	-117.9	4.4	-177.3	-97.6	154.5	0	0	0	114.3
9	Q	29.9	Very low	31.8	Very low	180 Å²	180	143.8 Å²	143.8	84%	0.841	83%	0.83	S	S	*	*	S	Bend	trans	-100.9	-3.1	-174.2	-140.5	166.5	-9.8	0	0	114.6
10	E	29.9	Very low	31.6	Very low	198 Å²	198	147.3 Å²	147.3	93%	0.925	84%	0.835	S	S	*	*	S	Bend	trans	-100.8	-4.7	179.8	-80.4	-171.1	155.4	0	0	115.5
11	A	32.5	Very low	31.6	Very low	90 Å²	90	146 Å²	146	74%	0.744	83%	0.83	S	S	*	*	S	Bend	trans	-95.4	2.8	-173	0	0	0	0	0	115.9
12	L	30.1	Very low	31.5	Very low	155 Å²	155	146.4 Å²	146.4	81%	0.812	82%	0.819	S	S	*	*	S	Bend	trans	-112.2	8.5	-168.1	-95.1	155.2	0	0	0	116.4
13	F	31.7	Very low	31.4	Very low	217 Å²	217	148.2 Å²	148.2	95%	0.952	82%	0.819	S	S	*	*			trans	-117	69.5	172.5	-96.8	-82.6	0	0	0	111.7
14	S	27.9	Very low	31.2	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	82%	0.815	S	S	*	*			trans	-158.7	132.7	150.3	59.8	0	0	0	0	112
15	L	29	Very low	31.1	Very low	172 Å²	172	148.5 Å²	148.5	90%	0.901	82%	0.824	S	S	*	*			trans	98.1	117.9	158.7	-57.9	161.6	0	0	0	119
16	H	28.4	Very low	31	Very low	177 Å²	177	146 Å²	146	82%	0.819	81%	0.812	S	S	*	*			trans	-123.9	175.7	166.9	-139.7	22.9	0	0	0	105.4
17	P	45.4	Very low	30.9	Very low	108 Å²	108	149.5 Å²	149.5	70%	0.701	82%	0.816	S	S	*	*				-126.2	150.1	-65.5	33.2	-16.9	0	0	0	112.4
18	A	27.2	Very low	30.6	Very low	106 Å²	106	154.4 Å²	154.4	88%	0.876	83%	0.825	S	S	*	*			trans	-164.4	130.7	156	0	0	0	0	0	112.9
19	G	28	Very low	30.5	Very low	70 Å²	70	154.5 Å²	154.5	72%	0.722	83%	0.832	S	S	*	*			trans	17	130.4	162.4	0	0	0	0	0	122.1
20	F	28.2	Very low	30.5	Very low	212 Å²	212	157.5 Å²	157.5	93%	0.93	84%	0.835	S	S	*	*				179.4	160.6	110.3	-110.4	-91	0	0	0	112.2
21	T	32.3	Very low	30.3	Very low	120 Å²	120	155.9 Å²	155.9	74%	0.736	83%	0.832	S	S	*	*			trans	-87.3	148.9	-164.7	46.1	0	0	0	0	116.1
22	R	37.8	Very low	30.1	Very low	251 Å²	251	158.4 Å²	158.4	95%	0.947	84%	0.838	S	S	*	*	S	Bend	trans	22.5	90.6	149.5	-109.6	-177.7	-179.3	-179.3	0.3	118.4
23	K	29.5	Very low	29.9	Very low	205 Å²	205	157.2 Å²	157.2	89%	0.891	84%	0.841	S	S	*	*			trans	-178	155.8	135.6	-101.3	173.3	-178.7	-176.3	0	107.7
24	D	26	Very low	29.5	Very low	150 Å²	150	155.2 Å²	155.2	80%	0.802	84%	0.839	S	S	*	*			trans	78.9	85.4	-170.6	-64	-21.9	0	0	0	117.1	S26	D24-S26 VanDerWaalsContact C-N 3.29Å
25	S	28.3	Very low	29.4	Very low	134 Å²	134	156.5 Å²	156.5	94%	0.937	85%	0.847	S	S	*	*			trans	-95	50.1	158.2	60.8	0	0	0	0	111.1
26	S	33.8	Very low	29.3	Very low	79 Å²	79	153 Å²	153	55%	0.552	84%	0.843	S	S	*	*			trans	-118.6	138.6	155	81.2	0	0	0	0	106.1	D24	D24-S26 VanDerWaalsContact C-N 3.29Å
27	L	29.4	Very low	29.2	Very low	170 Å²	170	148.9 Å²	148.9	89%	0.89	83%	0.834	S	S	*	*	S	Bend	trans	94.7	20.3	-174.3	-68.6	115.6	0	0	0	120.2
28	K	27.3	Very low	28.4	Very low	204 Å²	204	153.1 Å²	153.1	89%	0.887	84%	0.842	S	S	*	*	S	Bend	trans	-136.5	60.1	161.9	-83.1	-170.8	178.2	176.1	0	114.1
29	T	28.4	Very low	28.7	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	82%	0.816	S	S	*	*			trans	-153.6	42.7	156.4	-31.3	0	0	0	0	111.6
30	R	29.3	Very low	28.9	Very low	243 Å²	243	152.6 Å²	152.6	92%	0.917	81%	0.809	S	S	*	*			trans	-110	78.5	165.2	-83.1	-174.5	175.9	-175.9	-0.8	108.2
31	L	26.8	Very low	29.4	Very low	164 Å²	164	144.7 Å²	144.7	86%	0.859	78%	0.778	S	S	*	*	S	Bend	trans	-174.5	37.5	151.1	-130.8	81.2	0	0	0	114.9
32	V	28.1	Very low	29.6	Very low	144 Å²	144	143.5 Å²	143.5	87%	0.873	77%	0.773	S	S	*	*	S	Bend	trans	-147.1	86.3	162.1	-172.5	0	0	0	0	109.4
33	C	25.4	Very low	29.9	Very low	130 Å²	130	138.2 Å²	138.2	88%	0.878	76%	0.759	S	S	*	*			trans	173.1	78.8	149.9	-115.1	0	0	0	0	108
34	L	23.9	Very low	30.6	Very low	174 Å²	174	131.3 Å²	131.3	91%	0.911	74%	0.736	S	S	*	*			trans	-123	72.4	168	-96.9	158.7	0	0	0	106.9
35	C	24.7	Very low	32.1	Very low	130 Å²	130	132.5 Å²	132.5	88%	0.878	74%	0.737	S	S	*	*			trans	-154	59.1	159.7	-91.4	0	0	0	0	107.4	S37	C35-S37 PolarHBondContact O-N 2.97Å
36	A	26.3	Very low	34.4	Very low	99 Å²	99	131.7 Å²	131.7	82%	0.818	72%	0.718	S	S	*	*			trans	-77.5	102.5	160.6	0	0	0	0	0	106.6	K38	A36-K38 PolarHBondContact O-N 3.13Å
37	S	27.7	Very low	37.1	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	71%	0.709	S	S	*	*			trans	-61.6	111.8	168.7	42.9	0	0	0	0	108.6	C35 M39	C35-S37 PolarHBondContact O-N 2.97Å; S37-M39 PolarHBondContact O-N 3.26Å
38	K	29.2	Very low	40.2	Very low	198 Å²	198	124 Å²	124	86%	0.861	67%	0.671	S	S	*	*			trans	-63.9	113.5	168.3	-76	-177.6	170.9	-172	0	108.6	A36	A36-K38 PolarHBondContact O-N 3.13Å
39	M	32.8	Very low	43.3	Very low	68 Å²	68	120.3 Å²	120.3	34%	0.335	66%	0.656	S	S	.	*			trans	-65.1	134.4	169.1	-75.6	163.5	73.8	0	0	110.1	S37 E588	S37-M39 PolarHBondContact O-N 3.26Å; M39-E588 HydrophobicContact CE-CG 4.4Å; M39-E588 WeakPolarHBondContact CE-OE1 3.39Å; M39-E588 WeakPolarHBondContact CG-OE1 3.42Å
40	V	31.2	Very low	46.1	Very low	97 Å²	97	114.1 Å²	114.1	59%	0.588	62%	0.618	S	S	*	*			trans	-101.1	81	172.8	-174.2	0	0	0	0	108.4
41	V	38.8	Very low	48.8	Very low	46 Å²	46	104.3 Å²	104.3	28%	0.279	59%	0.586	S	S	.	*			trans	-69.8	131.5	142.7	-179.2	0	0	0	0	104.1	E43 R560	V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.19Å; V41-R560 VanDerWaalsContact CG2-NH1 3.3Å
42	P	37.5	Very low	51.6	Low	95 Å²	95	101.3 Å²	101.3	62%	0.617	58%	0.577	S	S	*	*			trans	-58.5	106.7	170.5	7.8	-2.1	0	0	0	106.3	S44	P42-S44 PolarHBondContact O-N 2.88Å
43	E	43.4	Very low	54.3	Low	139 Å²	139	101.6 Å²	101.6	65%	0.65	57%	0.573	S	S	*	*			trans	-62.8	85.9	162.2	-81	-176.7	133.5	0	0	104.8	V41 E45 K563	V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.19Å; E43-E45 VanDerWaalsContact C-N 3.29Å; E43-E45 PolarHBondContact O-N 3.19Å; E43-K563 IonicContact OE1-NZ 3.03Å
44	S	45.5	Very low	57.2	Low	61 Å²	61	96.3 Å²	96.3	43%	0.427	54%	0.536	S	S	.	.			trans	-65.9	104.8	156	64.3	0	0	0	0	104.7	P42 E46	P42-S44 PolarHBondContact O-N 2.88Å; S44-E46 PolarHBondContact O-N 3.17Å
45	E	55.5	Low	60.1	Low	175 Å²	175	91.9 Å²	91.9	82%	0.818	51%	0.511	S	S	*	.			trans	-61.9	-5.3	171	-67.6	-170.6	154.5	0	0	112.3	E43 L47	E43-E45 VanDerWaalsContact C-N 3.29Å; E43-E45 PolarHBondContact O-N 3.19Å; E45-L47 PolarHBondContact O-N 2.9Å
46	E	78	Confident	63	Low	116 Å²	116	95.3 Å²	95.3	54%	0.542	51%	0.505	S	S	.	.			trans	-75	105.5	-178.9	-162.3	172.3	-148.7	0	0	111.4	S44 Y48	S44-E46 PolarHBondContact O-N 3.17Å; E46-Y48 HydrophobicContact CB-CE2 4.19Å; E46-Y48 HydrophobicContact CG-CE2 3.93Å; E46-Y48 WeakPolarHBondContact O-CE2 3.24Å; E46-Y48 PolarHBondContact OE2-OH 3.2Å
47	L	90.8	Very high	66	Low	70 Å²	70	95.1 Å²	95.1	37%	0.366	49%	0.49	S	S	.	.			trans	-84.4	132.9	168.4	-69.8	172	0	0	0	109.9	E45 P488 K490	E45-L47 PolarHBondContact O-N 2.9Å; L47-P488 HydrophobicContact CD2-CB 4.39Å; L47-K490 HydrophobicContact CD2-CD 4.37Å; L47-K490 HydrophobicContact CD2-CG 3.76Å
48	Y	94.3	Very high	69.2	Low	19 Å²	19	91.5 Å²	91.5	8%	0.075	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-99	106.5	176	-67	-103.7	0	0	0	108.6	E46 W452 Q453 Y456 L489 P491	E46-Y48 HydrophobicContact CB-CE2 4.19Å; E46-Y48 HydrophobicContact CG-CE2 3.93Å; E46-Y48 WeakPolarHBondContact O-CE2 3.24Å; E46-Y48 PolarHBondContact OE2-OH 3.2Å; Y48-W452 AromaticContact CD1-CH2 3.89Å; Y48-W452 HydrophobicContact CD1-CH2 3.89Å; Y48-W452 AromaticContact CD1-CZ3 4Å; Y48-W452 HydrophobicContact CD1-CZ3 4Å; Y48-W452 AromaticContact CD2-CH2 3.92Å; Y48-W452 HydrophobicContact CD2-CH2 3.92Å; Y48-W452 HydrophobicContact CD2-CZ3 4.04Å; Y48-W452 HydrophobicContact CE1-CH2 4.38Å; Y48-W452 HydrophobicContact CE1-CZ3 4.01Å; Y48-W452 HydrophobicContact CE2-CH2 4.45Å; Y48-W452 HydrophobicContact CE2-CZ3 4.11Å; Y48-W452 AromaticContact CG-CH2 3.65Å; Y48-W452 HydrophobicContact CG-CH2 3.65Å; Y48-W452 HydrophobicContact CG-CZ3 4.03Å; Y48-Q453 PolarHBondContact OH-NE2 3.3Å; Y48-Y456 AromaticContact CD1-CD1 3.95Å; Y48-Y456 HydrophobicContact CD1-CD1 3.95Å; Y48-Y456 AromaticContact CD1-CE1 3.53Å; Y48-Y456 HydrophobicContact CD1-CE1 3.53Å; Y48-Y456 AromaticContact CD1-CZ 3.84Å; Y48-Y456 AromaticContact CE1-CD1 3.84Å; Y48-Y456 HydrophobicContact CE1-CD1 3.84Å; Y48-Y456 AromaticContact CE1-CE1 3.6Å; Y48-Y456 HydrophobicContact CE1-CE1 3.6Å; Y48-L489 PolarHBondContact N-O 3.07Å; Y48-L489 PolarHBondContact O-N 2.98Å; Y48-P491 HydrophobicContact CD2-CG 4.12Å; Y48-P491 HydrophobicContact CE2-CG 3.73Å
49	H	92.5	Very high	72.4	Confident	126 Å²	126	85.1 Å²	85.1	58%	0.583	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-81.3	146.4	-176.7	-70.3	-82.5	0	0	0	112
50	P	87	Confident	75.5	Confident	14 Å²	14	82.1 Å²	82.1	9%	0.091	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-52.5	141.1	171	-30.1	37.9	0	0	0	112.7	P484 A485	P50-P484 WeakPolarHBondContact CB-O 3.39Å; P50-A485 VanDerWaalsContact CB-O 3.26Å; P50-A485 WeakPolarHBondContact CB-O 3.39Å; P50-A485 VanDerWaalsContact CG-O 3.28Å; P50-A485 WeakPolarHBondContact CG-O 3.42Å
51	P	86.1	Confident	78.6	Confident	37 Å²	37	79.5 Å²	79.5	24%	0.24	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-65.4	136	175.6	26.7	-33.1	0	0	0	110.4	D53 L54	P51-D53 VanDerWaalsContact C-N 3.26Å; P51-D53 PolarHBondContact O-N 3.36Å; P51-L54 HydrophobicContact CG-CB 3.89Å; P51-L54 HydrophobicContact CG-CD2 4.35Å; P51-L54 WeakPolarHBondContact O-CB 3.22Å; P51-L54 PolarHBondContact O-N 2.86Å; P51-L54 VanDerWaalsContact O-N 3.08Å
52	P	84.4	Confident	81.3	Confident	101 Å²	101	80.1 Å²	80.1	66%	0.656	41%	0.411	S	S	*	.	H	α-helix	trans	-56	-37.2	-176.4	-28	35	0	0	0	114.2	L54 Q55	P52-L54 PolarHBondContact O-N 2.92Å; P52-Q55 WeakPolarHBondContact O-CB 3.44Å; P52-Q55 PolarHBondContact O-N 2.81Å; P52-Q55 VanDerWaalsContact O-N 3.09Å
53	D	84.8	Confident	84	Confident	150 Å²	150	79.4 Å²	79.4	80%	0.802	40%	0.399	S	S	*	.	H	α-helix	trans	-64.1	-26.3	-178.2	-63.2	-25.5	0	0	0	112.9	P51 Q55	P51-D53 VanDerWaalsContact C-N 3.26Å; P51-D53 PolarHBondContact O-N 3.36Å; D53-Q55 VanDerWaalsContact C-N 3.33Å
54	L	86.6	Confident	86.6	Confident	19 Å²	19	77.1 Å²	77.1	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-74.5	-25.2	178	-170.1	67	0	0	0	111.8	P51 P52 R56 A58 I439 P465 P484 A485	P51-L54 HydrophobicContact CG-CB 3.89Å; P51-L54 HydrophobicContact CG-CD2 4.35Å; P51-L54 WeakPolarHBondContact O-CB 3.22Å; P51-L54 PolarHBondContact O-N 2.86Å; P51-L54 VanDerWaalsContact O-N 3.08Å; P52-L54 PolarHBondContact O-N 2.92Å; L54-R56 PolarHBondContact O-N 3.43Å; L54-A58 WeakPolarHBondContact O-CB 3.33Å; L54-I439 HydrophobicContact CD1-CD1 4.45Å; L54-I439 HydrophobicContact CD2-CD1 4.47Å; L54-I439 HydrophobicContact CD2-CG1 4.46Å; L54-P465 HydrophobicContact CD2-CG 3.89Å; L54-P484 HydrophobicContact CD2-CB 3.87Å; L54-P484 HydrophobicContact CD2-CG 4.37Å; L54-A485 HydrophobicContact CD2-CB 4.24Å; L54-A485 HydrophobicContact CG-CB 4.09Å
55	Q	85.8	Confident	89.1	Confident	81 Å²	81	76.1 Å²	76.1	38%	0.379	39%	0.391	S	S	.	.	H	α-helix	trans	-71.4	-27.7	-175.3	-62.3	-177.1	-16.3	0	0	113.6	P52 D53 D57 P61 A485	P52-Q55 WeakPolarHBondContact O-CB 3.44Å; P52-Q55 PolarHBondContact O-N 2.81Å; P52-Q55 VanDerWaalsContact O-N 3.09Å; D53-Q55 VanDerWaalsContact C-N 3.33Å; Q55-D57 PolarHBondContact O-N 2.92Å; Q55-P61 WeakPolarHBondContact CG-O 3.4Å; Q55-P61 VanDerWaalsContact O-CB 3.27Å; Q55-P61 WeakPolarHBondContact O-CB 3.26Å; Q55-A485 HydrophobicContact CG-CB 4.49Å
56	R	85.9	Confident	91.1	Very high	202 Å²	202	68.2 Å²	68.2	76%	0.762	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-42.4	-169.6	-170.4	-176.3	69.2	-162.6	-3.9	113.3	L54	L54-R56 PolarHBondContact O-N 3.43Å
57	D	88.1	Confident	92.1	Very high	94 Å²	94	65.9 Å²	65.9	50%	0.503	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	6.1	-171.3	-56.8	-45	0	0	0	112.1	Q55 H353	Q55-D57 PolarHBondContact O-N 2.92Å; D57-H353 PolarHBondContact O-CE1 3.22Å; D57-H353 PolarHBondContact O-NE2 2.87Å
58	A	95.6	Very high	92.4	Very high	13 Å²	13	64.5 Å²	64.5	11%	0.107	35%	0.35	C	S	.	.			trans	-68.5	146.2	-176.8	0	0	0	0	0	113	L54 V60 D351 A485	L54-A58 WeakPolarHBondContact O-CB 3.33Å; A58-V60 PolarHBondContact O-N 3.09Å; A58-D351 VanDerWaalsContact CA-OD1 3.26Å; A58-D351 WeakPolarHBondContact CA-OD1 3.12Å; A58-A485 HydrophobicContact CB-CB 3.43Å; A58-A485 VanDerWaalsContact CB-CB 3.43Å
59	H	97.1	Very high	92.6	Very high	65 Å²	65	66.3 Å²	66.3	30%	0.301	36%	0.36	S	S	.	.	S	Bend	trans	-63.4	-27.2	175.2	-63.1	-69.6	0	0	0	112.4	K347 D351 Y352 H353	H59-K347 PolarHBondContact CD2-O 3.08Å; H59-K347 WeakPolarHBondContact CE1-CE 3.2Å; H59-K347 VanDerWaalsContact ND1-CE 3.34Å; H59-K347 WeakPolarHBondContact ND1-CE 3.23Å; H59-D351 IonicContact CD2-OD1 3.44Å; H59-D351 PolarHBondContact CD2-OD1 3.46Å; H59-D351 VanDerWaalsContact CD2-OD1 3.25Å; H59-D351 IonicContact CG-OD1 3.62Å; H59-D351 PolarHBondContact N-OD1 3.22Å; H59-Y352 PolarHBondContact NE2-O 2.79Å; H59-H353 AromaticContact NE2-NE2 3.84Å
60	V	97.6	Very high	92.9	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.03	34%	0.34	C	S	.	.	S	Bend	trans	-135	92.4	174.2	-170.6	0	0	0	0	108.1	A58 D62 M69 L483 A485 A486 F499	A58-V60 PolarHBondContact O-N 3.09Å; V60-D62 PolarHBondContact O-N 3.4Å; V60-M69 HydrophobicContact CG1-SD 4.38Å; V60-M69 HydrophobicContact CG2-CE 4.32Å; V60-M69 HydrophobicContact CG2-SD 3.82Å; V60-L483 HydrophobicContact CB-CD1 3.92Å; V60-L483 HydrophobicContact CG1-CD1 3.87Å; V60-L483 HydrophobicContact CG2-CD1 3.83Å; V60-A485 WeakPolarHBondContact O-CB 3.48Å; V60-A486 HydrophobicContact CG1-CB 4.01Å; V60-F499 HydrophobicContact CG2-CE2 4.47Å; V60-F499 HydrophobicContact CG2-CZ 4.16Å
61	P	95.3	Very high	93.5	Very high	42 Å²	42	67.1 Å²	67.1	27%	0.273	36%	0.359	S	S	.	.			trans	-77.5	-19.7	-162.3	28.5	-36.3	0	0	0	114.8	Q55	Q55-P61 WeakPolarHBondContact CG-O 3.4Å; Q55-P61 VanDerWaalsContact O-CB 3.27Å; Q55-P61 WeakPolarHBondContact O-CB 3.26Å
62	D	95	Very high	94.1	Very high	59 Å²	59	69.1 Å²	69.1	32%	0.316	36%	0.364	S	S	.	.	S	Bend	trans	-156.5	168.2	-175.3	69.3	78.2	0	0	0	112.4	V60 S64 S65 Y66 A486	V60-D62 PolarHBondContact O-N 3.4Å; D62-S64 VanDerWaalsContact C-N 3.34Å; D62-S64 PolarHBondContact O-N 2.93Å; D62-S64 VanDerWaalsContact OD1-CA 3.26Å; D62-S64 WeakPolarHBondContact OD1-CA 3.46Å; D62-S64 WeakPolarHBondContact OD1-CB 3.37Å; D62-S64 PolarHBondContact OD1-N 2.63Å; D62-S65 WeakPolarHBondContact O-CB 2.95Å; D62-S65 PolarHBondContact O-N 3.44Å; D62-S65 PolarHBondContact OD1-N 3.31Å; D62-S65 PolarHBondContact OD2-OG 2.9Å; D62-Y66 PolarHBondContact O-N 2.76Å; D62-A486 VanDerWaalsContact O-CB 3.26Å; D62-A486 WeakPolarHBondContact O-CB 3.29Å
63	F	95.8	Very high	94.7	Very high	80 Å²	80	64.3 Å²	64.3	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-33.9	-177.4	-165.2	-111.9	0	0	0	113.6	Y66 V67 A486 F496	F63-Y66 AromaticContact CD2-CD1 3.95Å; F63-Y66 HydrophobicContact CD2-CD1 3.95Å; F63-Y66 AromaticContact CE2-CD1 3.68Å; F63-Y66 HydrophobicContact CE2-CD1 3.68Å; F63-Y66 HydrophobicContact CE2-CE1 4Å; F63-Y66 HydrophobicContact CZ-CD1 4.28Å; F63-Y66 HydrophobicContact CZ-CE1 4.39Å; F63-Y66 WeakPolarHBondContact O-CB 3.49Å; F63-Y66 PolarHBondContact O-N 3.23Å; F63-V67 HydrophobicContact CD1-CG2 4.09Å; F63-V67 HydrophobicContact CE1-CG2 3.83Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.44Å; F63-V67 PolarHBondContact O-N 2.92Å; F63-A486 WeakPolarHBondContact CB-O 3.43Å; F63-A486 PolarHBondContact N-O 2.95Å; F63-F496 AromaticContact CE2-CD2 3.77Å; F63-F496 HydrophobicContact CE2-CD2 3.77Å; F63-F496 AromaticContact CE2-CE2 3.44Å; F63-F496 HydrophobicContact CE2-CE2 3.44Å; F63-F496 VanDerWaalsContact CE2-CE2 3.44Å; F63-F496 HydrophobicContact CE2-CG 4.43Å; F63-F496 AromaticContact CE2-CZ 3.84Å; F63-F496 HydrophobicContact CE2-CZ 3.84Å; F63-F496 HydrophobicContact CZ-CD2 4.33Å; F63-F496 HydrophobicContact CZ-CE1 4.13Å; F63-F496 AromaticContact CZ-CE2 3.8Å; F63-F496 HydrophobicContact CZ-CE2 3.8Å; F63-F496 AromaticContact CZ-CZ 3.67Å; F63-F496 HydrophobicContact CZ-CZ 3.67Å
64	S	97.2	Very high	95.3	Very high	90 Å²	90	59.2 Å²	59.2	63%	0.629	31%	0.305	S	S	*	.	H	α-helix	trans	-68	-39.6	176.4	-175.7	0	0	0	0	111	D62 V67 G68	D62-S64 VanDerWaalsContact C-N 3.34Å; D62-S64 PolarHBondContact O-N 2.93Å; D62-S64 VanDerWaalsContact OD1-CA 3.26Å; D62-S64 WeakPolarHBondContact OD1-CA 3.46Å; D62-S64 WeakPolarHBondContact OD1-CB 3.37Å; D62-S64 PolarHBondContact OD1-N 2.63Å; S64-V67 PolarHBondContact O-N 3.46Å; S64-G68 PolarHBondContact O-N 2.71Å
65	S	97.4	Very high	95.8	Very high	40 Å²	40	64.9 Å²	64.9	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-45.1	172.7	-67.5	0	0	0	0	111.2	D62 G68 M69	D62-S65 WeakPolarHBondContact O-CB 2.95Å; D62-S65 PolarHBondContact O-N 3.44Å; D62-S65 PolarHBondContact OD1-N 3.31Å; D62-S65 PolarHBondContact OD2-OG 2.9Å; S65-G68 PolarHBondContact O-N 2.85Å; S65-M69 WeakPolarHBondContact O-CG 3.49Å; S65-M69 PolarHBondContact O-N 2.72Å
66	Y	98.3	Very high	96.3	Very high	9 Å²	9	64.8 Å²	64.8	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-56.3	-52.9	171.6	160.8	-103.5	0	0	0	111.9	D62 F63 G68 M69 Y70 L483 F496 P497 F499	D62-Y66 PolarHBondContact O-N 2.76Å; F63-Y66 AromaticContact CD2-CD1 3.95Å; F63-Y66 HydrophobicContact CD2-CD1 3.95Å; F63-Y66 AromaticContact CE2-CD1 3.68Å; F63-Y66 HydrophobicContact CE2-CD1 3.68Å; F63-Y66 HydrophobicContact CE2-CE1 4Å; F63-Y66 HydrophobicContact CZ-CD1 4.28Å; F63-Y66 HydrophobicContact CZ-CE1 4.39Å; F63-Y66 WeakPolarHBondContact O-CB 3.49Å; F63-Y66 PolarHBondContact O-N 3.23Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.35Å; Y66-M69 PolarHBondContact O-N 2.88Å; Y66-Y70 HydrophobicContact CE2-CG 4.48Å; Y66-Y70 WeakPolarHBondContact O-CB 3.5Å; Y66-Y70 PolarHBondContact O-N 2.86Å; Y66-L483 HydrophobicContact CD2-CD1 3.72Å; Y66-L483 HydrophobicContact CD2-CG 4.42Å; Y66-L483 HydrophobicContact CG-CD1 4.48Å; Y66-F496 HydrophobicContact CE1-CB 4.01Å; Y66-F496 HydrophobicContact CE1-CG 4.28Å; Y66-F496 VanDerWaalsContact OH-CB 3.24Å; Y66-F496 WeakPolarHBondContact OH-CB 3.41Å; Y66-P497 WeakPolarHBondContact CE2-O 3.47Å; Y66-P497 PolarHBondContact OH-O 3.36Å; Y66-F499 AromaticContact CD2-CE1 3.87Å; Y66-F499 HydrophobicContact CD2-CE1 3.87Å; Y66-F499 HydrophobicContact CD2-CZ 4.41Å; Y66-F499 HydrophobicContact CE2-CE1 4.17Å
67	V	98.4	Very high	96.8	Very high	67 Å²	67	57.4 Å²	57.4	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-43.1	-178.7	169.5	0	0	0	0	111	F63 S64 Y70 K71	F63-V67 HydrophobicContact CD1-CG2 4.09Å; F63-V67 HydrophobicContact CE1-CG2 3.83Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.44Å; F63-V67 PolarHBondContact O-N 2.92Å; S64-V67 PolarHBondContact O-N 3.46Å; V67-Y70 PolarHBondContact O-N 3.29Å; V67-K71 VanDerWaalsContact O-CB 3.25Å; V67-K71 WeakPolarHBondContact O-CB 3.13Å; V67-K71 PolarHBondContact O-N 3.24Å
68	G	98.4	Very high	97.1	Very high	41 Å²	41	56.7 Å²	56.7	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-46.1	177.5	0	0	0	0	0	112.8	S64 S65 Y66 K72	S64-G68 PolarHBondContact O-N 2.71Å; S65-G68 PolarHBondContact O-N 2.85Å; Y66-G68 VanDerWaalsContact C-N 3.3Å; Y66-G68 PolarHBondContact O-N 3.35Å; G68-K72 WeakPolarHBondContact O-CB 3.14Å; G68-K72 PolarHBondContact O-N 3.45Å
69	M	98.4	Very high	97.1	Very high	58 Å²	58	57.9 Å²	57.9	29%	0.286	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-42.6	177.5	-70.4	179.2	71.8	0	0	112.2	V60 S65 Y66 K72 S73 F499	V60-M69 HydrophobicContact CG1-SD 4.38Å; V60-M69 HydrophobicContact CG2-CE 4.32Å; V60-M69 HydrophobicContact CG2-SD 3.82Å; S65-M69 WeakPolarHBondContact O-CG 3.49Å; S65-M69 PolarHBondContact O-N 2.72Å; Y66-M69 PolarHBondContact O-N 2.88Å; M69-K72 PolarHBondContact O-N 3.46Å; M69-S73 WeakPolarHBondContact O-CB 3.19Å; M69-S73 PolarHBondContact O-N 2.85Å; M69-F499 HydrophobicContact CB-CD1 4.15Å; M69-F499 HydrophobicContact CB-CE1 3.48Å; M69-F499 VanDerWaalsContact CB-CE1 3.48Å; M69-F499 HydrophobicContact CB-CZ 3.7Å; M69-F499 HydrophobicContact CE-CD2 4.48Å; M69-F499 HydrophobicContact CE-CE2 3.7Å; M69-F499 HydrophobicContact CE-CZ 3.8Å; M69-F499 HydrophobicContact CG-CZ 4.48Å; M69-F499 HydrophobicContact SD-CE2 4.49Å; M69-F499 HydrophobicContact SD-CZ 4Å
70	Y	98.7	Very high	97.2	Very high	44 Å²	44	55.2 Å²	55.2	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-49.6	176.5	-179.3	-110.7	0	0	0	111.2	Y66 V67 K72 S73 L74 P497 F498 F499 V501	Y66-Y70 HydrophobicContact CE2-CG 4.48Å; Y66-Y70 WeakPolarHBondContact O-CB 3.5Å; Y66-Y70 PolarHBondContact O-N 2.86Å; V67-Y70 PolarHBondContact O-N 3.29Å; Y70-K72 PolarHBondContact O-N 2.83Å; Y70-S73 WeakPolarHBondContact O-CB 3.23Å; Y70-S73 PolarHBondContact O-N 3.27Å; Y70-S73 VanDerWaalsContact O-N 3.12Å; Y70-S73 PolarHBondContact O-OG 2.9Å; Y70-L74 HydrophobicContact CD1-CD1 4.43Å; Y70-L74 HydrophobicContact CE1-CD1 3.72Å; Y70-L74 HydrophobicContact CE2-CD1 4.15Å; Y70-L74 HydrophobicContact CE2-CG 4.39Å; Y70-L74 PolarHBondContact O-N 2.91Å; Y70-P497 HydrophobicContact CD2-CG 4.43Å; Y70-P497 HydrophobicContact CE1-CG 4.08Å; Y70-P497 HydrophobicContact CE2-CB 3.75Å; Y70-P497 HydrophobicContact CE2-CG 3.58Å; Y70-P497 WeakPolarHBondContact OH-CG 3.43Å; Y70-F498 WeakPolarHBondContact CE2-O 3.47Å; Y70-F499 HydrophobicContact CD2-CD1 4.5Å; Y70-V501 WeakPolarHBondContact CE2-O 3.34Å; Y70-V501 PolarHBondContact OH-O 3.35Å
71	K	98.4	Very high	97.2	Very high	112 Å²	112	55.1 Å²	55.1	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-56.9	-48.1	175.3	-174.6	176.8	-178.4	-179.1	0	111.8	V67 S73 L74 E75	V67-K71 VanDerWaalsContact O-CB 3.25Å; V67-K71 WeakPolarHBondContact O-CB 3.13Å; V67-K71 PolarHBondContact O-N 3.24Å; K71-S73 VanDerWaalsContact C-N 3.29Å; K71-S73 PolarHBondContact O-N 3.05Å; K71-L74 PolarHBondContact O-N 3.11Å; K71-L74 VanDerWaalsContact O-N 3.15Å; K71-E75 WeakPolarHBondContact CE-OE1 3.14Å; K71-E75 WeakPolarHBondContact CE-OE2 3.47Å; K71-E75 VanDerWaalsContact CG-CD 3.47Å; K71-E75 HydrophobicContact CG-CG 4.17Å; K71-E75 WeakPolarHBondContact CG-OE2 3.48Å; K71-E75 IonicContact NZ-OE1 2.8Å; K71-E75 WeakPolarHBondContact O-CB 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.28Å; K71-E75 PolarHBondContact O-N 3.34Å
72	K	98.1	Very high	97.2	Very high	79 Å²	79	58.4 Å²	58.4	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-40.5	176.5	-173.8	-176.9	178	-169.6	0	112	G68 M69 Y70 L74 N76 F80	G68-K72 WeakPolarHBondContact O-CB 3.14Å; G68-K72 PolarHBondContact O-N 3.45Å; M69-K72 PolarHBondContact O-N 3.46Å; Y70-K72 PolarHBondContact O-N 2.83Å; K72-L74 PolarHBondContact O-N 2.72Å; K72-N76 CarbonylContact O-C 3.6Å; K72-N76 VanDerWaalsContact O-C 3.3Å; K72-N76 WeakPolarHBondContact O-CA 3.47Å; K72-N76 PolarHBondContact O-N 2.88Å; K72-F80 HydrophobicContact CB-CD2 4.43Å; K72-F80 HydrophobicContact CD-CD2 4.23Å; K72-F80 HydrophobicContact CG-CD2 4.22Å
73	S	98.3	Very high	97.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-24.7	-179.7	78.4	0	0	0	0	113.8	M69 Y70 K71 P77 G500	M69-S73 WeakPolarHBondContact O-CB 3.19Å; M69-S73 PolarHBondContact O-N 2.85Å; Y70-S73 WeakPolarHBondContact O-CB 3.23Å; Y70-S73 PolarHBondContact O-N 3.27Å; Y70-S73 VanDerWaalsContact O-N 3.12Å; Y70-S73 PolarHBondContact O-OG 2.9Å; K71-S73 VanDerWaalsContact C-N 3.29Å; K71-S73 PolarHBondContact O-N 3.05Å; S73-P77 WeakPolarHBondContact O-CA 3.25Å; S73-P77 WeakPolarHBondContact O-CB 3.39Å; S73-G500 PolarHBondContact OG-N 2.8Å
74	L	97.3	Very high	97.4	Very high	42 Å²	42	57.5 Å²	57.5	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-95.5	-40.1	177.8	-64.5	-175.7	0	0	0	113.3	Y70 K71 K72 E502	Y70-L74 HydrophobicContact CD1-CD1 4.43Å; Y70-L74 HydrophobicContact CE1-CD1 3.72Å; Y70-L74 HydrophobicContact CE2-CD1 4.15Å; Y70-L74 HydrophobicContact CE2-CG 4.39Å; Y70-L74 PolarHBondContact O-N 2.91Å; K71-L74 PolarHBondContact O-N 3.11Å; K71-L74 VanDerWaalsContact O-N 3.15Å; K72-L74 PolarHBondContact O-N 2.72Å; L74-E502 HydrophobicContact CD1-CG 4.4Å; L74-E502 HydrophobicContact CD2-CB 4.16Å
75	E	97.3	Very high	97.4	Very high	138 Å²	138	53.3 Å²	53.3	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-82.5	-30.9	-176.7	-67.3	-178.6	168.5	0	0	112.7	K71	K71-E75 WeakPolarHBondContact CE-OE1 3.14Å; K71-E75 WeakPolarHBondContact CE-OE2 3.47Å; K71-E75 VanDerWaalsContact CG-CD 3.47Å; K71-E75 HydrophobicContact CG-CG 4.17Å; K71-E75 WeakPolarHBondContact CG-OE2 3.48Å; K71-E75 IonicContact NZ-OE1 2.8Å; K71-E75 WeakPolarHBondContact O-CB 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.28Å; K71-E75 PolarHBondContact O-N 3.34Å
76	N	96.5	Very high	97.4	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	29%	0.291	S	S	.	.	S	Bend	trans	-135.3	63.5	177.1	-166.4	-8.2	0	0	0	111.2	K72 E78 A79 F80	K72-N76 CarbonylContact O-C 3.6Å; K72-N76 VanDerWaalsContact O-C 3.3Å; K72-N76 WeakPolarHBondContact O-CA 3.47Å; K72-N76 PolarHBondContact O-N 2.88Å; N76-E78 VanDerWaalsContact C-N 3.28Å; N76-E78 PolarHBondContact O-N 2.77Å; N76-A79 WeakPolarHBondContact ND2-CB 3.42Å; N76-A79 PolarHBondContact O-N 3.27Å; N76-A79 VanDerWaalsContact OD1-CB 3.27Å; N76-A79 WeakPolarHBondContact OD1-CB 3.35Å; N76-A79 PolarHBondContact OD1-N 2.85Å; N76-F80 WeakPolarHBondContact O-CB 3.26Å; N76-F80 PolarHBondContact O-N 3.02Å
77	P	95	Very high	97.3	Very high	47 Å²	47	60.8 Å²	60.8	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-36.3	-175.7	24.2	-33.8	0	0	0	112.3	S73 F80 W81	S73-P77 WeakPolarHBondContact O-CA 3.25Å; S73-P77 WeakPolarHBondContact O-CB 3.39Å; P77-F80 PolarHBondContact O-N 3.27Å; P77-W81 WeakPolarHBondContact O-CB 3.23Å; P77-W81 PolarHBondContact O-N 3.3Å
78	E	94.8	Very high	97.3	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-55.6	177.3	-70.2	-68.1	160.8	0	0	111.4	N76 K82 P97 M98	N76-E78 VanDerWaalsContact C-N 3.28Å; N76-E78 PolarHBondContact O-N 2.77Å; E78-K82 WeakPolarHBondContact O-CB 3.22Å; E78-K82 PolarHBondContact O-N 2.98Å; E78-P97 WeakPolarHBondContact OE1-CA 3.41Å; E78-P97 WeakPolarHBondContact OE1-CB 3.43Å; E78-M98 VanDerWaalsContact CD-CB 3.47Å; E78-M98 PolarHBondContact OE1-N 3.02Å; E78-M98 WeakPolarHBondContact OE2-CB 3.46Å; E78-M98 PolarHBondContact OE2-N 2.9Å
79	A	95.9	Very high	97.3	Very high	37 Å²	37	59.3 Å²	59.3	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-37.8	-180	0	0	0	0	0	112.2	N76 Q83	N76-A79 WeakPolarHBondContact ND2-CB 3.42Å; N76-A79 PolarHBondContact O-N 3.27Å; N76-A79 VanDerWaalsContact OD1-CB 3.27Å; N76-A79 WeakPolarHBondContact OD1-CB 3.35Å; N76-A79 PolarHBondContact OD1-N 2.85Å; A79-Q83 WeakPolarHBondContact O-CG 3.28Å; A79-Q83 PolarHBondContact O-N 3.45Å
80	F	98.2	Very high	97.2	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-54.9	179.8	-178.5	-89.1	0	0	0	111.5	K72 N76 P77 K82 Q83 V84 L344 F499	K72-F80 HydrophobicContact CB-CD2 4.43Å; K72-F80 HydrophobicContact CD-CD2 4.23Å; K72-F80 HydrophobicContact CG-CD2 4.22Å; N76-F80 WeakPolarHBondContact O-CB 3.26Å; N76-F80 PolarHBondContact O-N 3.02Å; P77-F80 PolarHBondContact O-N 3.27Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 2.89Å; F80-Q83 WeakPolarHBondContact O-CB 3.34Å; F80-Q83 PolarHBondContact O-N 3.23Å; F80-V84 HydrophobicContact CE1-CG2 4.49Å; F80-V84 PolarHBondContact O-N 3.19Å; F80-L344 HydrophobicContact CE1-CD2 3.87Å; F80-L344 HydrophobicContact CZ-CD2 4.07Å; F80-F499 HydrophobicContact CE1-CB 3.8Å; F80-F499 HydrophobicContact CE1-CG 4.43Å; F80-F499 HydrophobicContact CZ-CB 3.61Å; F80-F499 AromaticContact CZ-CD2 3.85Å; F80-F499 HydrophobicContact CZ-CD2 3.85Å; F80-F499 AromaticContact CZ-CG 3.75Å; F80-F499 HydrophobicContact CZ-CG 3.75Å
81	W	97.8	Very high	97.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-73.2	-24.6	-178.6	-70.3	115.3	0	0	0	112.5	P77 Q83 V84 A85 M98 Y341 L344 F499 P528	P77-W81 WeakPolarHBondContact O-CB 3.23Å; P77-W81 PolarHBondContact O-N 3.3Å; W81-Q83 VanDerWaalsContact C-N 3.32Å; W81-Q83 PolarHBondContact O-N 2.88Å; W81-V84 HydrophobicContact CE3-CB 4.18Å; W81-V84 HydrophobicContact CE3-CG1 4.47Å; W81-V84 HydrophobicContact CE3-CG2 3.92Å; W81-V84 HydrophobicContact CZ3-CG2 4.25Å; W81-V84 PolarHBondContact O-N 3.36Å; W81-A85 WeakPolarHBondContact O-CB 3.45Å; W81-A85 PolarHBondContact O-N 2.92Å; W81-M98 HydrophobicContact CB-CE 3.67Å; W81-M98 HydrophobicContact CB-CG 3.64Å; W81-M98 HydrophobicContact CB-SD 3.65Å; W81-M98 HydrophobicContact CG-CG 4.3Å; W81-Y341 AromaticContact CH2-CD2 3.54Å; W81-Y341 HydrophobicContact CH2-CD2 3.54Å; W81-Y341 AromaticContact CH2-CE2 3.81Å; W81-Y341 HydrophobicContact CH2-CE2 3.81Å; W81-Y341 HydrophobicContact CZ2-CD2 4.17Å; W81-Y341 HydrophobicContact CZ2-CE2 4.19Å; W81-Y341 HydrophobicContact CZ3-CD2 4.23Å; W81-L344 HydrophobicContact CE3-CD2 4.5Å; W81-L344 HydrophobicContact CH2-CD2 3.82Å; W81-L344 HydrophobicContact CZ3-CD2 3.59Å; W81-F499 WeakPolarHBondContact CZ2-O 3.46Å; W81-P528 HydrophobicContact CD2-CG 3.52Å; W81-P528 HydrophobicContact CE3-CG 3.8Å; W81-P528 HydrophobicContact CG-CG 4Å; W81-P528 HydrophobicContact CH2-CG 4.13Å; W81-P528 VanDerWaalsContact CZ2-CD 3.5Å; W81-P528 HydrophobicContact CZ2-CG 3.85Å; W81-P528 HydrophobicContact CZ3-CG 4.09Å
82	K	96.2	Very high	97.2	Very high	111 Å²	111	61.7 Å²	61.7	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-40.7	171.7	178.3	155.9	175.1	50.9	0	111.5	E78 F80 V84 A85 D86 M98	E78-K82 WeakPolarHBondContact O-CB 3.22Å; E78-K82 PolarHBondContact O-N 2.98Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 2.89Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 PolarHBondContact O-N 3.47Å; K82-A85 PolarHBondContact O-N 3.2Å; K82-A85 VanDerWaalsContact O-N 3.11Å; K82-D86 IonicContact NZ-OD1 3.74Å; K82-D86 PolarHBondContact NZ-OD1 3.48Å; K82-D86 IonicContact NZ-OD2 2.68Å; K82-D86 WeakPolarHBondContact O-CB 3.48Å; K82-D86 PolarHBondContact O-N 3.32Å; K82-M98 HydrophobicContact CB-CE 4.07Å; K82-M98 VanDerWaalsContact N-CE 3.28Å
83	Q	96.9	Very high	96.9	Very high	109 Å²	109	61.7 Å²	61.7	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-38.9	174.4	-69.6	178.3	-29.2	0	0	112	A79 F80 W81	A79-Q83 WeakPolarHBondContact O-CG 3.28Å; A79-Q83 PolarHBondContact O-N 3.45Å; F80-Q83 WeakPolarHBondContact O-CB 3.34Å; F80-Q83 PolarHBondContact O-N 3.23Å; W81-Q83 VanDerWaalsContact C-N 3.32Å; W81-Q83 PolarHBondContact O-N 2.88Å
84	V	98.1	Very high	96.5	Very high	11 Å²	11	63 Å²	63	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-69	-40.7	175.4	-173.2	0	0	0	0	111	F80 W81 K82 D86 E87 F88 L340 F343 L344	F80-V84 HydrophobicContact CE1-CG2 4.49Å; F80-V84 PolarHBondContact O-N 3.19Å; W81-V84 HydrophobicContact CE3-CB 4.18Å; W81-V84 HydrophobicContact CE3-CG1 4.47Å; W81-V84 HydrophobicContact CE3-CG2 3.92Å; W81-V84 HydrophobicContact CZ3-CG2 4.25Å; W81-V84 PolarHBondContact O-N 3.36Å; K82-V84 VanDerWaalsContact C-N 3.26Å; K82-V84 PolarHBondContact O-N 3.47Å; V84-D86 VanDerWaalsContact C-N 3.31Å; V84-D86 PolarHBondContact O-N 3.3Å; V84-E87 WeakPolarHBondContact O-CB 3.28Å; V84-E87 PolarHBondContact O-N 3.5Å; V84-F88 WeakPolarHBondContact O-CD2 3.39Å; V84-L340 HydrophobicContact CG1-CB 4.25Å; V84-L340 HydrophobicContact CG1-CD2 4.26Å; V84-F343 HydrophobicContact CG1-CD1 3.88Å; V84-F343 HydrophobicContact CG1-CE1 4.21Å; V84-L344 HydrophobicContact CG1-CB 4.3Å; V84-L344 HydrophobicContact CG2-CD1 4.38Å; V84-L344 HydrophobicContact CG2-CD2 3.96Å
85	A	97.9	Very high	96	Very high	3 Å²	3	67.5 Å²	67.5	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-31.3	179.3	0	0	0	0	0	113.2	W81 K82 E87 F88 W90 M98 M115 L340	W81-A85 WeakPolarHBondContact O-CB 3.45Å; W81-A85 PolarHBondContact O-N 2.92Å; K82-A85 PolarHBondContact O-N 3.2Å; K82-A85 VanDerWaalsContact O-N 3.11Å; A85-E87 PolarHBondContact O-N 3.46Å; A85-F88 PolarHBondContact O-N 3.44Å; A85-W90 HydrophobicContact CB-CZ2 4.3Å; A85-W90 PolarHBondContact O-NE1 2.92Å; A85-M98 HydrophobicContact CB-CE 4.5Å; A85-M115 HydrophobicContact CB-CE 3.93Å; A85-M115 HydrophobicContact CB-SD 3.88Å; A85-L340 HydrophobicContact CB-CD1 4.03Å; A85-L340 HydrophobicContact CB-CD2 4.03Å
86	D	96.3	Very high	95.5	Very high	100 Å²	100	62.9 Å²	62.9	54%	0.535	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.3	179.4	-67.2	-22	0	0	0	112.6	K82 V84 F88	K82-D86 IonicContact NZ-OD1 3.74Å; K82-D86 PolarHBondContact NZ-OD1 3.48Å; K82-D86 IonicContact NZ-OD2 2.68Å; K82-D86 WeakPolarHBondContact O-CB 3.48Å; K82-D86 PolarHBondContact O-N 3.32Å; V84-D86 VanDerWaalsContact C-N 3.31Å; V84-D86 PolarHBondContact O-N 3.3Å; D86-F88 PolarHBondContact O-N 3.08Å
87	E	96.3	Very high	95.3	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.1	170	-64.1	-73.2	158.6	0	0	112.2	V84 A85 R129 F343	V84-E87 WeakPolarHBondContact O-CB 3.28Å; V84-E87 PolarHBondContact O-N 3.5Å; A85-E87 PolarHBondContact O-N 3.46Å; E87-R129 PolarHBondContact O-NH1 3.1Å; E87-F343 HydrophobicContact CB-CE1 4.44Å; E87-F343 HydrophobicContact CB-CZ 4.35Å; E87-F343 HydrophobicContact CG-CE1 4.08Å; E87-F343 HydrophobicContact CG-CZ 4.1Å
88	F	98.1	Very high	95.3	Very high	12 Å²	12	60.2 Å²	60.2	5%	0.053	32%	0.322	C	S	.	.	S	Bend	trans	-105.9	155.9	-168.6	-65.7	-74	0	0	0	113.6	V84 A85 D86 N125 L339 L340 F343 A379	V84-F88 WeakPolarHBondContact O-CD2 3.39Å; A85-F88 PolarHBondContact O-N 3.44Å; D86-F88 PolarHBondContact O-N 3.08Å; F88-N125 WeakPolarHBondContact CB-OD1 3.47Å; F88-N125 HydrophobicContact CD1-CB 3.89Å; F88-N125 WeakPolarHBondContact CD1-OD1 3.43Å; F88-N125 HydrophobicContact CE1-CB 4.46Å; F88-L339 HydrophobicContact CD1-CD1 4.19Å; F88-L339 HydrophobicContact CD1-CD2 3.81Å; F88-L339 HydrophobicContact CD1-CG 4.14Å; F88-L339 HydrophobicContact CD2-CD2 4.49Å; F88-L339 HydrophobicContact CE1-CD1 3.62Å; F88-L339 HydrophobicContact CE1-CD2 4.08Å; F88-L339 HydrophobicContact CE1-CG 3.91Å; F88-L339 HydrophobicContact CE2-CG 4.29Å; F88-L339 HydrophobicContact CG-CD2 4.01Å; F88-L339 HydrophobicContact CG-CG 4.42Å; F88-L339 HydrophobicContact CZ-CD1 3.89Å; F88-L339 HydrophobicContact CZ-CG 3.98Å; F88-L340 HydrophobicContact CD2-CD2 3.52Å; F88-L340 HydrophobicContact CE2-CD2 3.7Å; F88-F343 HydrophobicContact CE1-CD2 4.43Å; F88-F343 HydrophobicContact CE2-CB 4.16Å; F88-F343 AromaticContact CE2-CD1 3.85Å; F88-F343 HydrophobicContact CE2-CD1 3.85Å; F88-F343 HydrophobicContact CE2-CD2 4.46Å; F88-F343 HydrophobicContact CE2-CE1 4.33Å; F88-F343 AromaticContact CE2-CG 3.92Å; F88-F343 HydrophobicContact CE2-CG 3.92Å; F88-F343 HydrophobicContact CZ-CB 3.6Å; F88-F343 AromaticContact CZ-CD1 3.85Å; F88-F343 HydrophobicContact CZ-CD1 3.85Å; F88-F343 AromaticContact CZ-CD2 3.66Å; F88-F343 HydrophobicContact CZ-CD2 3.66Å; F88-F343 HydrophobicContact CZ-CE1 4.41Å; F88-F343 HydrophobicContact CZ-CE2 4.24Å; F88-F343 AromaticContact CZ-CG 3.43Å; F88-F343 HydrophobicContact CZ-CG 3.43Å; F88-F343 VanDerWaalsContact CZ-CG 3.43Å; F88-A379 HydrophobicContact CE1-CB 4.28Å; F88-A379 HydrophobicContact CZ-CB 4.44Å
89	F	97.9	Very high	95.3	Very high	66 Å²	66	57.9 Å²	57.9	29%	0.289	31%	0.312	S	S	.	.			trans	-78	128.2	171.5	-178.6	-96.1	0	0	0	110.7	K91 T120 Y124 N125 W309	F89-K91 HydrophobicContact CE1-CB 4.18Å; F89-T120 PolarHBondContact O-OG1 3.41Å; F89-Y124 HydrophobicContact CB-CD1 4.06Å; F89-Y124 HydrophobicContact CB-CE1 3.65Å; F89-Y124 AromaticContact CD1-CD1 3.81Å; F89-Y124 HydrophobicContact CD1-CD1 3.81Å; F89-Y124 AromaticContact CD1-CE1 3.46Å; F89-Y124 HydrophobicContact CD1-CE1 3.46Å; F89-Y124 VanDerWaalsContact CD1-CE1 3.46Å; F89-Y124 HydrophobicContact CD2-CE1 4.3Å; F89-Y124 HydrophobicContact CE1-CE1 4.19Å; F89-Y124 HydrophobicContact CG-CD1 4.16Å; F89-Y124 AromaticContact CG-CE1 3.53Å; F89-Y124 HydrophobicContact CG-CE1 3.53Å; F89-N125 PolarHBondContact N-OD1 2.97Å; F89-N125 PolarHBondContact O-ND2 3.34Å; F89-W309 HydrophobicContact CD1-CH2 4.12Å; F89-W309 AromaticContact CD1-CZ3 3.96Å; F89-W309 HydrophobicContact CD1-CZ3 3.96Å; F89-W309 AromaticContact CE1-CH2 3.55Å; F89-W309 HydrophobicContact CE1-CH2 3.55Å; F89-W309 HydrophobicContact CE1-CZ2 4.45Å; F89-W309 AromaticContact CE1-CZ3 3.63Å; F89-W309 HydrophobicContact CE1-CZ3 3.63Å
90	W	98.1	Very high	95.3	Very high	32 Å²	32	59.4 Å²	59.4	12%	0.121	31%	0.313	C	S	.	.			trans	-122.3	114.9	173.5	-61	91.1	0	0	0	109.1	A85 K92 P93 M115 A118 K119 T120 A336 L340	A85-W90 HydrophobicContact CB-CZ2 4.3Å; A85-W90 PolarHBondContact O-NE1 2.92Å; W90-K92 PolarHBondContact O-N 3.41Å; W90-P93 HydrophobicContact CB-CB 4.37Å; W90-M115 HydrophobicContact CD2-CE 4.15Å; W90-M115 HydrophobicContact CE3-CE 4.29Å; W90-M115 HydrophobicContact CH2-CE 3.81Å; W90-M115 HydrophobicContact CH2-SD 3.61Å; W90-M115 HydrophobicContact CZ2-CE 3.63Å; W90-M115 HydrophobicContact CZ2-SD 3.62Å; W90-M115 HydrophobicContact CZ3-CE 4.13Å; W90-M115 HydrophobicContact CZ3-SD 4.36Å; W90-A118 HydrophobicContact CE3-CB 3.67Å; W90-A118 HydrophobicContact CZ3-CB 3.75Å; W90-K119 CarbonylContact C-O 3.57Å; W90-T120 HydrophobicContact CE3-CG2 3.84Å; W90-T120 HydrophobicContact CH2-CG2 4.02Å; W90-T120 HydrophobicContact CZ3-CG2 3.42Å; W90-T120 VanDerWaalsContact CZ3-CG2 3.42Å; W90-A336 HydrophobicContact CH2-CB 3.59Å; W90-A336 HydrophobicContact CZ3-CB 3.96Å; W90-L340 HydrophobicContact CZ2-CD2 4.27Å
91	K	97.8	Very high	95.3	Very high	124 Å²	124	63.3 Å²	63.3	54%	0.539	33%	0.328	S	S	.	.	S	Bend	trans	-58.6	-34.6	172.2	-176.3	62.1	173.1	-173.7	0	111	F89 K119 W309	F89-K91 HydrophobicContact CE1-CB 4.18Å; K91-K119 HydrophobicContact CB-CB 4.43Å; K91-K119 PolarHBondContact N-O 3.25Å; K91-W309 HydrophobicContact CB-CD2 3.82Å; K91-W309 HydrophobicContact CB-CE3 3.63Å; K91-W309 HydrophobicContact CB-CG 4.25Å; K91-W309 HydrophobicContact CB-CZ3 4.14Å; K91-W309 HydrophobicContact CD-CD2 4.21Å; K91-W309 HydrophobicContact CD-CZ2 4.37Å; K91-W309 HydrophobicContact CG-CB 4.44Å; K91-W309 HydrophobicContact CG-CD2 3.81Å; K91-W309 HydrophobicContact CG-CE3 4.17Å; K91-W309 HydrophobicContact CG-CG 3.91Å
92	K	97.6	Very high	95.3	Very high	107 Å²	107	64.4 Å²	64.4	47%	0.465	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-141.1	116.2	168.3	-177	-174	173.4	-164.1	0	108.1	W90 A118 K119	W90-K92 PolarHBondContact O-N 3.41Å; K92-A118 CarbonylContact O-C 3.58Å; K92-A118 WeakPolarHBondContact O-CA 3.22Å; K92-A118 WeakPolarHBondContact O-CB 3.5Å; K92-K119 HydrophobicContact CB-CB 4.02Å; K92-K119 HydrophobicContact CB-CG 4.31Å; K92-K119 PolarHBondContact N-O 3Å; K92-K119 PolarHBondContact O-N 3.02Å
93	P	93.3	Very high	95.4	Very high	79 Å²	79	59.3 Å²	59.3	51%	0.513	31%	0.311	S	S	.	.			trans	-69.4	157.7	174.9	28.5	-33.9	0	0	0	111.4	W90	W90-P93 HydrophobicContact CB-CB 4.37Å
94	A	90.1	Very high	95.4	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.291	C	S	.	.			trans	-66.8	142	172.4	0	0	0	0	0	110.4	M115 A118	A94-M115 HydrophobicContact CB-CB 3.98Å; A94-M115 HydrophobicContact CB-CE 4.08Å; A94-M115 HydrophobicContact CB-CG 4.47Å; A94-A118 HydrophobicContact CB-CB 3.9Å
95	T	86.2	Confident	95.3	Very high	136 Å²	136	56.4 Å²	56.4	83%	0.834	30%	0.3	S	S	*	.			trans	-110.9	-7.7	171	58.9	0	0	0	0	112.8
96	G	87.1	Confident	95.3	Very high	41 Å²	41	61.4 Å²	61.4	42%	0.423	33%	0.331	S	S	.	.	S	Bend	trans	-99.1	-169.4	177.4	0	0	0	0	0	112.8
97	P	91.8	Very high	95.3	Very high	58 Å²	58	64.3 Å²	64.3	38%	0.377	34%	0.339	S	S	.	.			trans	-60.2	146.4	176.8	-19.5	31.3	0	0	0	112.3	E78 L99 Q100	E78-P97 WeakPolarHBondContact OE1-CA 3.41Å; E78-P97 WeakPolarHBondContact OE1-CB 3.43Å; P97-L99 VanDerWaalsContact C-N 3.32Å; P97-L99 PolarHBondContact O-N 3.1Å; P97-Q100 HydrophobicContact CB-CG 3.94Å; P97-Q100 HydrophobicContact CG-CG 4.03Å
98	M	94	Very high	95.3	Very high	12 Å²	12	61 Å²	61	6%	0.059	33%	0.333	C	S	.	.	S	Bend	trans	-61.2	-40.4	174.3	177.4	65.3	63.7	0	0	111.7	E78 W81 K82 A85 C114 M115 L340	E78-M98 VanDerWaalsContact CD-CB 3.47Å; E78-M98 PolarHBondContact OE1-N 3.02Å; E78-M98 WeakPolarHBondContact OE2-CB 3.46Å; E78-M98 PolarHBondContact OE2-N 2.9Å; W81-M98 HydrophobicContact CB-CE 3.67Å; W81-M98 HydrophobicContact CB-CG 3.64Å; W81-M98 HydrophobicContact CB-SD 3.65Å; W81-M98 HydrophobicContact CG-CG 4.3Å; K82-M98 HydrophobicContact CB-CE 4.07Å; K82-M98 VanDerWaalsContact N-CE 3.28Å; A85-M98 HydrophobicContact CB-CE 4.5Å; M98-C114 CarbonylContact O-C 3.48Å; M98-C114 WeakPolarHBondContact O-CA 3.4Å; M98-C114 PolarHBondContact O-SG 3.29Å; M98-C114 VanDerWaalsContact O-SG 3.42Å; M98-M115 HydrophobicContact CE-CG 4.21Å; M98-M115 HydrophobicContact CE-SD 4.3Å; M98-M115 PolarHBondContact O-N 3.2Å; M98-M115 HydrophobicContact SD-CG 3.4Å; M98-M115 WeakPolarHBondContact SD-CG 3.37Å; M98-M115 HydrophobicContact SD-SD 3.94Å; M98-L340 HydrophobicContact SD-CD1 4.42Å
99	L	95.6	Very high	95.2	Very high	32 Å²	32	66.4 Å²	66.4	17%	0.168	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.7	178.6	-75.3	169.4	0	0	0	110.8	P97 K113 C114	P97-L99 VanDerWaalsContact C-N 3.32Å; P97-L99 PolarHBondContact O-N 3.1Å; L99-K113 CarbonylContact C-O 3.45Å; L99-K113 WeakPolarHBondContact CA-O 3.39Å; L99-C114 HydrophobicContact CD2-CB 3.73Å
100	Q	96.6	Very high	95.2	Very high	69 Å²	69	63.4 Å²	63.4	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.6	171.7	-62	177.9	74.9	0	0	108.5	P97 F111 V112 K113 E116	P97-Q100 HydrophobicContact CB-CG 3.94Å; P97-Q100 HydrophobicContact CG-CG 4.03Å; Q100-F111 HydrophobicContact CB-CE2 4.27Å; Q100-V112 CarbonylContact O-C 3.56Å; Q100-V112 WeakPolarHBondContact O-CA 3.45Å; Q100-K113 PolarHBondContact N-O 2.95Å; Q100-K113 PolarHBondContact O-N 3.04Å; Q100-E116 PolarHBondContact NE2-OE2 3.41Å; Q100-E116 VanDerWaalsContact NE2-OE2 3.09Å
101	Y	97.7	Very high	95.2	Very high	92 Å²	92	65.8 Å²	65.8	36%	0.361	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	163.8	-176.1	72.7	-80.4	0	0	0	114.4	F103 F111 K525 P526	Y101-F103 HydrophobicContact CD2-CB 4.32Å; Y101-F103 AromaticContact CD2-CD1 3.78Å; Y101-F103 HydrophobicContact CD2-CD1 3.78Å; Y101-F103 HydrophobicContact CD2-CD2 4.41Å; Y101-F103 HydrophobicContact CD2-CE1 4.26Å; Y101-F103 AromaticContact CD2-CG 3.89Å; Y101-F103 HydrophobicContact CD2-CG 3.89Å; Y101-F103 HydrophobicContact CE2-CB 4.39Å; Y101-F103 HydrophobicContact CE2-CD1 4.46Å; Y101-F103 HydrophobicContact CE2-CD2 4.33Å; Y101-F103 HydrophobicContact CE2-CG 4.12Å; Y101-F111 CarbonylContact C-O 3.48Å; Y101-F111 WeakPolarHBondContact CA-O 3.41Å; Y101-F111 VanDerWaalsContact CB-O 3.28Å; Y101-F111 WeakPolarHBondContact CB-O 3.43Å; Y101-K525 WeakPolarHBondContact OH-CG 3.37Å; Y101-P526 HydrophobicContact CD1-CG 3.41Å; Y101-P526 VanDerWaalsContact CD1-CG 3.41Å; Y101-P526 VanDerWaalsContact CD2-CD 3.45Å; Y101-P526 HydrophobicContact CD2-CG 3.86Å; Y101-P526 HydrophobicContact CE1-CG 3.91Å; Y101-P526 VanDerWaalsContact CE2-CD 3.45Å; Y101-P526 HydrophobicContact CE2-CG 4.3Å; Y101-P526 HydrophobicContact CG-CG 3.39Å
102	N	98	Very high	95.2	Very high	24 Å²	24	60.2 Å²	60.2	13%	0.128	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.9	159.3	176.9	33.9	0	0	0	109	D104 G108 N109 I110 F111	N102-D104 PolarHBondContact ND2-O 2.91Å; N102-D104 PolarHBondContact OD1-N 3.11Å; N102-D104 PolarHBondContact OD1-O 3.46Å; N102-G108 PolarHBondContact ND2-O 2.99Å; N102-N109 PolarHBondContact ND2-O 3.12Å; N102-I110 WeakPolarHBondContact O-CA 3.47Å; N102-I110 WeakPolarHBondContact O-CD1 3.43Å; N102-I110 WeakPolarHBondContact O-CG2 3.4Å; N102-F111 HydrophobicContact CB-CD1 3.88Å; N102-F111 HydrophobicContact CB-CE1 3.63Å; N102-F111 HydrophobicContact CB-CZ 4.4Å; N102-F111 PolarHBondContact N-O 2.72Å; N102-F111 PolarHBondContact O-N 3.17Å
103	F	97.8	Very high	95.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.018	33%	0.329	C	S	.	.			trans	-104.4	-0.4	173.8	-81.8	4.8	0	0	0	112.7	Y101 I110 V112 K525 P526 I530 F546 G551	Y101-F103 HydrophobicContact CD2-CB 4.32Å; Y101-F103 AromaticContact CD2-CD1 3.78Å; Y101-F103 HydrophobicContact CD2-CD1 3.78Å; Y101-F103 HydrophobicContact CD2-CD2 4.41Å; Y101-F103 HydrophobicContact CD2-CE1 4.26Å; Y101-F103 AromaticContact CD2-CG 3.89Å; Y101-F103 HydrophobicContact CD2-CG 3.89Å; Y101-F103 HydrophobicContact CE2-CB 4.39Å; Y101-F103 HydrophobicContact CE2-CD1 4.46Å; Y101-F103 HydrophobicContact CE2-CD2 4.33Å; Y101-F103 HydrophobicContact CE2-CG 4.12Å; F103-I110 VanDerWaalsContact C-CD1 3.43Å; F103-V112 HydrophobicContact CD1-CG2 4.4Å; F103-V112 HydrophobicContact CE1-CG2 3.56Å; F103-V112 HydrophobicContact CZ-CG2 4.4Å; F103-K525 VanDerWaalsContact CE2-C 3.43Å; F103-P526 HydrophobicContact CE1-CB 4.03Å; F103-P526 HydrophobicContact CE1-CG 4.39Å; F103-P526 HydrophobicContact CE2-CB 4.38Å; F103-P526 HydrophobicContact CZ-CB 3.58Å; F103-P526 HydrophobicContact CZ-CG 4.15Å; F103-I530 HydrophobicContact CE1-CD1 4.45Å; F103-I530 HydrophobicContact CZ-CD1 3.81Å; F103-F546 HydrophobicContact CB-CD1 4.14Å; F103-F546 HydrophobicContact CB-CE1 4.3Å; F103-F546 HydrophobicContact CD1-CD1 4.05Å; F103-F546 AromaticContact CD1-CE1 3.39Å; F103-F546 HydrophobicContact CD1-CE1 3.39Å; F103-F546 HydrophobicContact CD1-CZ 4.17Å; F103-F546 HydrophobicContact CD2-CE1 4.2Å; F103-F546 AromaticContact CE1-CE1 3.56Å; F103-F546 HydrophobicContact CE1-CE1 3.56Å; F103-F546 HydrophobicContact CE1-CZ 4.02Å; F103-F546 HydrophobicContact CE2-CE1 4.34Å; F103-F546 HydrophobicContact CG-CD1 4.07Å; F103-F546 AromaticContact CG-CE1 3.73Å; F103-F546 HydrophobicContact CG-CE1 3.73Å; F103-F546 HydrophobicContact CZ-CE1 4.04Å; F103-G551 WeakPolarHBondContact O-CA 3.38Å; F103-G551 PolarHBondContact O-N 3.36Å
104	D	97.7	Very high	95.4	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.08	31%	0.305	C	S	.	.			trans	-108	102	-175.2	-169.4	-18.6	0	0	0	109.8	N102 T106 K107 P550	N102-D104 PolarHBondContact ND2-O 2.91Å; N102-D104 PolarHBondContact OD1-N 3.11Å; N102-D104 PolarHBondContact OD1-O 3.46Å; D104-T106 VanDerWaalsContact CG-OG1 3.31Å; D104-T106 PolarHBondContact O-N 3.4Å; D104-T106 VanDerWaalsContact OD1-CB 3.31Å; D104-T106 WeakPolarHBondContact OD1-CB 3.46Å; D104-T106 PolarHBondContact OD1-N 2.89Å; D104-T106 PolarHBondContact OD1-OG1 3.3Å; D104-T106 PolarHBondContact OD2-OG1 2.97Å; D104-K107 HydrophobicContact CB-CB 4.18Å; D104-K107 HydrophobicContact CB-CD 4Å; D104-K107 HydrophobicContact CB-CG 4.12Å; D104-K107 PolarHBondContact O-N 2.97Å; D104-K107 WeakPolarHBondContact OD2-CD 3.46Å; D104-K107 WeakPolarHBondContact OD2-CE 3.27Å; D104-K107 IonicContact OD2-NZ 2.68Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; D104-P550 WeakPolarHBondContact OD1-CB 3.39Å
105	V	96.5	Very high	95.7	Very high	44 Å²	44	53.8 Å²	53.8	27%	0.267	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.5	177.5	-66.5	0	0	0	0	112.5	K107 I110 E542 F546 P550	V105-K107 VanDerWaalsContact C-N 3.35Å; V105-I110 HydrophobicContact CB-CD1 4.37Å; V105-I110 HydrophobicContact CG1-CD1 3.61Å; V105-I110 HydrophobicContact CG1-CG1 3.68Å; V105-E542 HydrophobicContact CG1-CB 4.4Å; V105-F546 HydrophobicContact CG1-CB 3.89Å; V105-P550 HydrophobicContact CG2-CB 4.19Å; V105-P550 HydrophobicContact CG2-CG 4.08Å
106	T	96.7	Very high	96.2	Very high	108 Å²	108	51 Å²	51	66%	0.663	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.2	177.8	75.8	0	0	0	0	113	D104 P550	D104-T106 VanDerWaalsContact CG-OG1 3.31Å; D104-T106 PolarHBondContact O-N 3.4Å; D104-T106 VanDerWaalsContact OD1-CB 3.31Å; D104-T106 WeakPolarHBondContact OD1-CB 3.46Å; D104-T106 PolarHBondContact OD1-N 2.89Å; D104-T106 PolarHBondContact OD1-OG1 3.3Å; D104-T106 PolarHBondContact OD2-OG1 2.97Å; T106-P550 HydrophobicContact CG2-CB 4.16Å; T106-P550 HydrophobicContact CG2-CG 4.25Å
107	K	96.9	Very high	96.6	Very high	161 Å²	161	50.6 Å²	50.6	70%	0.7	27%	0.269	S	S	*	.	S	Bend	trans	-105.3	3	-179.3	-66.3	179.9	-176.8	131.5	0	113.9	D104 V105	D104-K107 HydrophobicContact CB-CB 4.18Å; D104-K107 HydrophobicContact CB-CD 4Å; D104-K107 HydrophobicContact CB-CG 4.12Å; D104-K107 PolarHBondContact O-N 2.97Å; D104-K107 WeakPolarHBondContact OD2-CD 3.46Å; D104-K107 WeakPolarHBondContact OD2-CE 3.27Å; D104-K107 IonicContact OD2-NZ 2.68Å; D104-K107 PolarHBondContact OD2-NZ 3.45Å; V105-K107 VanDerWaalsContact C-N 3.35Å
108	G	95.8	Very high	96.9	Very high	36 Å²	36	47.8 Å²	47.8	37%	0.371	25%	0.251	S	S	.	.	S	Bend	trans	134.3	-172.1	179.5	0	0	0	0	0	111.8	N102	N102-G108 PolarHBondContact ND2-O 2.99Å
109	N	95.8	Very high	97.1	Very high	126 Å²	126	50.8 Å²	50.8	67%	0.674	26%	0.263	S	S	*	.			trans	-61.1	145.3	178.7	-61.3	-4.3	0	0	0	110.5	N102	N102-N109 PolarHBondContact ND2-O 3.12Å
110	I	98.2	Very high	97.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.256	C	S	.	.			trans	-73.9	136.7	174.2	-58	-55.6	0	0	0	108.7	N102 F103 V105 H538 F541 E542 F546	N102-I110 WeakPolarHBondContact O-CA 3.47Å; N102-I110 WeakPolarHBondContact O-CD1 3.43Å; N102-I110 WeakPolarHBondContact O-CG2 3.4Å; F103-I110 VanDerWaalsContact C-CD1 3.43Å; V105-I110 HydrophobicContact CB-CD1 4.37Å; V105-I110 HydrophobicContact CG1-CD1 3.61Å; V105-I110 HydrophobicContact CG1-CG1 3.68Å; I110-H538 PolarHBondContact O-CE1 2.79Å; I110-H538 PolarHBondContact O-NE2 3.09Å; I110-F541 HydrophobicContact CB-CE1 4.2Å; I110-F541 HydrophobicContact CG2-CD1 4.31Å; I110-F541 HydrophobicContact CG2-CE1 3.5Å; I110-F541 HydrophobicContact CG2-CZ 4.18Å; I110-E542 HydrophobicContact CB-CG 3.88Å; I110-E542 HydrophobicContact CG1-CB 4.27Å; I110-E542 HydrophobicContact CG1-CG 3.69Å; I110-E542 PolarHBondContact N-OE1 2.69Å; I110-F546 HydrophobicContact CB-CD2 4.38Å; I110-F546 HydrophobicContact CD1-CB 4.02Å; I110-F546 HydrophobicContact CD1-CD1 4.48Å; I110-F546 HydrophobicContact CD1-CG 4.14Å; I110-F546 HydrophobicContact CG1-CB 4.03Å; I110-F546 HydrophobicContact CG1-CD2 4.07Å; I110-F546 HydrophobicContact CG1-CG 4Å; I110-F546 HydrophobicContact CG2-CD1 4.22Å; I110-F546 HydrophobicContact CG2-CD2 3.68Å; I110-F546 HydrophobicContact CG2-CE1 4.13Å; I110-F546 HydrophobicContact CG2-CE2 3.59Å; I110-F546 HydrophobicContact CG2-CG 3.99Å; I110-F546 HydrophobicContact CG2-CZ 3.81Å
111	F	97.9	Very high	97.4	Very high	82 Å²	82	46 Å²	46	36%	0.36	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	157.4	169.9	68.1	-86.5	0	0	0	110.4	Q100 Y101 N102 K113	Q100-F111 HydrophobicContact CB-CE2 4.27Å; Y101-F111 CarbonylContact C-O 3.48Å; Y101-F111 WeakPolarHBondContact CA-O 3.41Å; Y101-F111 VanDerWaalsContact CB-O 3.28Å; Y101-F111 WeakPolarHBondContact CB-O 3.43Å; N102-F111 HydrophobicContact CB-CD1 3.88Å; N102-F111 HydrophobicContact CB-CE1 3.63Å; N102-F111 HydrophobicContact CB-CZ 4.4Å; N102-F111 PolarHBondContact N-O 2.72Å; N102-F111 PolarHBondContact O-N 3.17Å; F111-K113 HydrophobicContact CD2-CG 4.22Å
112	V	97.9	Very high	97.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.3	167.1	-176.2	0	0	0	0	107.2	Q100 F103 P526 I530 R532	Q100-V112 CarbonylContact O-C 3.56Å; Q100-V112 WeakPolarHBondContact O-CA 3.45Å; F103-V112 HydrophobicContact CD1-CG2 4.4Å; F103-V112 HydrophobicContact CE1-CG2 3.56Å; F103-V112 HydrophobicContact CZ-CG2 4.4Å; V112-P526 HydrophobicContact CG1-CB 3.81Å; V112-P526 HydrophobicContact CG1-CG 4.29Å; V112-P526 HydrophobicContact CG2-CB 4.12Å; V112-I530 HydrophobicContact CB-CG2 4.33Å; V112-I530 HydrophobicContact CG1-CG2 3.83Å; V112-I530 HydrophobicContact CG2-CG2 4.2Å; V112-R532 WeakPolarHBondContact O-CD 3.5Å
113	K	97.6	Very high	97.4	Very high	70 Å²	70	40.4 Å²	40.4	30%	0.304	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	172.6	-58.3	-178.2	-175.5	180	0	109	L99 Q100 F111 E116 E313	L99-K113 CarbonylContact C-O 3.45Å; L99-K113 WeakPolarHBondContact CA-O 3.39Å; Q100-K113 PolarHBondContact N-O 2.95Å; Q100-K113 PolarHBondContact O-N 3.04Å; F111-K113 HydrophobicContact CD2-CG 4.22Å; K113-E116 HydrophobicContact CB-CB 4.44Å; K113-E116 HydrophobicContact CD-CB 4.48Å; K113-E116 VanDerWaalsContact CD-CD 3.41Å; K113-E116 HydrophobicContact CD-CG 4.33Å; K113-E116 WeakPolarHBondContact CD-OE1 3.39Å; K113-E116 VanDerWaalsContact CD-OE2 3.32Å; K113-E116 WeakPolarHBondContact CD-OE2 3.4Å; K113-E116 WeakPolarHBondContact CE-OE1 3.02Å; K113-E116 IonicContact NZ-OE1 3.52Å; K113-E116 PolarHBondContact NZ-OE1 3.25Å; K113-E116 IonicContact NZ-OE2 2.96Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; K113-E313 HydrophobicContact CB-CG 4.22Å
114	C	97.4	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	177	-172.6	0	0	0	0	109.6	M98 L99 E116 E313	M98-C114 CarbonylContact O-C 3.48Å; M98-C114 WeakPolarHBondContact O-CA 3.4Å; M98-C114 PolarHBondContact O-SG 3.29Å; M98-C114 VanDerWaalsContact O-SG 3.42Å; L99-C114 HydrophobicContact CD2-CB 3.73Å; C114-E116 VanDerWaalsContact C-N 3.25Å; C114-E116 PolarHBondContact O-N 3.24Å; C114-E313 WeakPolarHBondContact CA-OE1 3.13Å; C114-E313 PolarHBondContact N-OE1 2.78Å; C114-E313 VanDerWaalsContact O-OE1 3.12Å
115	M	96.9	Very high	97.5	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.054	22%	0.217	C	C	.	.	S	Bend	trans	52.3	40.2	179.5	-61.6	-172.4	69.4	0	0	114	A85 W90 A94 M98 G117 A118 A312 A336 L340	A85-M115 HydrophobicContact CB-CE 3.93Å; A85-M115 HydrophobicContact CB-SD 3.88Å; W90-M115 HydrophobicContact CD2-CE 4.15Å; W90-M115 HydrophobicContact CE3-CE 4.29Å; W90-M115 HydrophobicContact CH2-CE 3.81Å; W90-M115 HydrophobicContact CH2-SD 3.61Å; W90-M115 HydrophobicContact CZ2-CE 3.63Å; W90-M115 HydrophobicContact CZ2-SD 3.62Å; W90-M115 HydrophobicContact CZ3-CE 4.13Å; W90-M115 HydrophobicContact CZ3-SD 4.36Å; A94-M115 HydrophobicContact CB-CB 3.98Å; A94-M115 HydrophobicContact CB-CE 4.08Å; A94-M115 HydrophobicContact CB-CG 4.47Å; M98-M115 HydrophobicContact CE-CG 4.21Å; M98-M115 HydrophobicContact CE-SD 4.3Å; M98-M115 PolarHBondContact O-N 3.2Å; M98-M115 HydrophobicContact SD-CG 3.4Å; M98-M115 WeakPolarHBondContact SD-CG 3.37Å; M98-M115 HydrophobicContact SD-SD 3.94Å; M115-G117 PolarHBondContact O-N 3.34Å; M115-A118 HydrophobicContact CB-CB 4.19Å; M115-A118 HydrophobicContact CE-CB 4.36Å; M115-A118 VanDerWaalsContact O-CB 3.28Å; M115-A118 WeakPolarHBondContact O-CB 3.19Å; M115-A118 PolarHBondContact O-N 2.99Å; M115-A312 HydrophobicContact CB-CB 4.22Å; M115-A312 WeakPolarHBondContact O-CB 3.33Å; M115-A336 HydrophobicContact CB-CB 4.45Å; M115-L340 HydrophobicContact SD-CD1 3.74Å
116	E	96.5	Very high	97.6	Very high	77 Å²	77	38.7 Å²	38.7	36%	0.36	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	132.3	-179.6	-177.1	173.3	-144.5	0	0	111.5	Q100 K113 C114 A118	Q100-E116 PolarHBondContact NE2-OE2 3.41Å; Q100-E116 VanDerWaalsContact NE2-OE2 3.09Å; K113-E116 HydrophobicContact CB-CB 4.44Å; K113-E116 HydrophobicContact CD-CB 4.48Å; K113-E116 VanDerWaalsContact CD-CD 3.41Å; K113-E116 HydrophobicContact CD-CG 4.33Å; K113-E116 WeakPolarHBondContact CD-OE1 3.39Å; K113-E116 VanDerWaalsContact CD-OE2 3.32Å; K113-E116 WeakPolarHBondContact CD-OE2 3.4Å; K113-E116 WeakPolarHBondContact CE-OE1 3.02Å; K113-E116 IonicContact NZ-OE1 3.52Å; K113-E116 PolarHBondContact NZ-OE1 3.25Å; K113-E116 IonicContact NZ-OE2 2.96Å; K113-E116 PolarHBondContact NZ-OE2 3.38Å; C114-E116 VanDerWaalsContact C-N 3.25Å; C114-E116 PolarHBondContact O-N 3.24Å; E116-A118 VanDerWaalsContact C-N 3.34Å
117	G	95.8	Very high	97.7	Very high	32 Å²	32	33.5 Å²	33.5	33%	0.33	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-6.7	-178	0	0	0	0	0	115.4	M115	M115-G117 PolarHBondContact O-N 3.34Å
118	A	98	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.			trans	-73.4	150.9	166.4	0	0	0	0	0	111.4	W90 K92 A94 M115 E116 D311 A312	W90-A118 HydrophobicContact CE3-CB 3.67Å; W90-A118 HydrophobicContact CZ3-CB 3.75Å; K92-A118 CarbonylContact O-C 3.58Å; K92-A118 WeakPolarHBondContact O-CA 3.22Å; K92-A118 WeakPolarHBondContact O-CB 3.5Å; A94-A118 HydrophobicContact CB-CB 3.9Å; M115-A118 HydrophobicContact CB-CB 4.19Å; M115-A118 HydrophobicContact CE-CB 4.36Å; M115-A118 VanDerWaalsContact O-CB 3.28Å; M115-A118 WeakPolarHBondContact O-CB 3.19Å; M115-A118 PolarHBondContact O-N 2.99Å; E116-A118 VanDerWaalsContact C-N 3.34Å; A118-D311 WeakPolarHBondContact O-CA 2.98Å; A118-A312 HydrophobicContact CB-CB 4.17Å; A118-A312 PolarHBondContact O-N 3.41Å
119	K	98.5	Very high	97.8	Very high	74 Å²	74	25.2 Å²	25.2	32%	0.322	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	173.9	-62.5	-165.6	171.3	-147.1	0	111.9	W90 K91 K92 L310 D311	W90-K119 CarbonylContact C-O 3.57Å; K91-K119 HydrophobicContact CB-CB 4.43Å; K91-K119 PolarHBondContact N-O 3.25Å; K92-K119 HydrophobicContact CB-CB 4.02Å; K92-K119 HydrophobicContact CB-CG 4.31Å; K92-K119 PolarHBondContact N-O 3Å; K92-K119 PolarHBondContact O-N 3.02Å; K119-L310 CarbonylContact C-O 3.39Å; K119-L310 WeakPolarHBondContact CA-O 3.4Å; K119-D311 WeakPolarHBondContact CE-OD1 3.5Å; K119-D311 IonicContact NZ-OD1 2.78Å
120	T	98.6	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	-175.2	179.1	-166	0	0	0	0	110.9	F89 W90 N125 L310 V335	F89-T120 PolarHBondContact O-OG1 3.41Å; W90-T120 HydrophobicContact CE3-CG2 3.84Å; W90-T120 HydrophobicContact CH2-CG2 4.02Å; W90-T120 HydrophobicContact CZ3-CG2 3.42Å; W90-T120 VanDerWaalsContact CZ3-CG2 3.42Å; T120-N125 PolarHBondContact OG1-ND2 3.13Å; T120-L310 PolarHBondContact N-O 2.99Å; T120-L310 PolarHBondContact O-N 2.97Å; T120-V335 HydrophobicContact CG2-CG1 3.72Å
121	N	98.8	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.106	C	C	.	.			trans	-139.7	131.6	168.9	-175.2	-78.7	0	0	0	109.6	C123 Y124 N125 A200 R201 P307 E308 W309	N121-C123 WeakPolarHBondContact OD1-CA 3.43Å; N121-C123 VanDerWaalsContact OD1-CB 3.28Å; N121-C123 WeakPolarHBondContact OD1-CB 3.32Å; N121-C123 PolarHBondContact OD1-N 3.21Å; N121-Y124 PolarHBondContact OD1-N 3.41Å; N121-N125 PolarHBondContact O-N 3.21Å; N121-N125 PolarHBondContact O-ND2 3.5Å; N121-A200 PolarHBondContact ND2-O 3.38Å; N121-A200 VanDerWaalsContact ND2-O 3.15Å; N121-R201 PolarHBondContact ND2-O 2.86Å; N121-P307 HydrophobicContact CB-CB 4.13Å; N121-E308 PolarHBondContact ND2-O 3.36Å; N121-W309 HydrophobicContact CB-CE3 4.25Å; N121-W309 HydrophobicContact CB-CZ3 4.24Å
122	M	98.6	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-51.5	180	172.4	62.2	81.4	0	0	111.2	Y124 N125 V126 A200 L316 V335 Y338 L339 Y375	M122-Y124 VanDerWaalsContact C-N 3.32Å; M122-Y124 PolarHBondContact O-N 2.9Å; M122-N125 PolarHBondContact O-N 3.27Å; M122-V126 WeakPolarHBondContact O-CG2 3.46Å; M122-V126 PolarHBondContact O-N 2.85Å; M122-V126 HydrophobicContact SD-CG1 3.97Å; M122-A200 HydrophobicContact CB-CB 4.23Å; M122-A200 HydrophobicContact CG-CB 4.31Å; M122-L316 HydrophobicContact CB-CD1 3.95Å; M122-L316 HydrophobicContact CE-CD2 3.58Å; M122-L316 HydrophobicContact CG-CD1 4.04Å; M122-L316 HydrophobicContact CG-CD2 4.37Å; M122-V335 HydrophobicContact CB-CG1 4.37Å; M122-Y338 HydrophobicContact CE-CD1 3.94Å; M122-L339 HydrophobicContact CE-CB 3.61Å; M122-L339 HydrophobicContact CE-CD1 4.24Å; M122-L339 HydrophobicContact CE-CG 4.45Å; M122-L339 HydrophobicContact SD-CB 4.19Å; M122-L339 HydrophobicContact SD-CD1 3.75Å; M122-L339 HydrophobicContact SD-CG 4.42Å; M122-Y375 HydrophobicContact CE-CD1 4.1Å; M122-Y375 HydrophobicContact CE-CE1 4.5Å; M122-Y375 HydrophobicContact CE-CG 4.48Å; M122-Y375 HydrophobicContact CG-CD1 3.66Å; M122-Y375 HydrophobicContact CG-CE1 3.45Å; M122-Y375 VanDerWaalsContact CG-CE1 3.45Å; M122-Y375 HydrophobicContact SD-CD1 3.57Å; M122-Y375 VanDerWaalsContact SD-CD1 3.57Å; M122-Y375 HydrophobicContact SD-CE1 4.03Å; M122-Y375 HydrophobicContact SD-CG 4.38Å
123	C	98.7	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-42.4	179.9	179.7	0	0	0	0	111.8	N121 N125 V126 L127 R201	N121-C123 WeakPolarHBondContact OD1-CA 3.43Å; N121-C123 VanDerWaalsContact OD1-CB 3.28Å; N121-C123 WeakPolarHBondContact OD1-CB 3.32Å; N121-C123 PolarHBondContact OD1-N 3.21Å; C123-N125 VanDerWaalsContact C-N 3.33Å; C123-N125 PolarHBondContact O-N 3.21Å; C123-V126 PolarHBondContact O-N 2.94Å; C123-L127 WeakPolarHBondContact O-CB 3.34Å; C123-L127 PolarHBondContact O-N 2.93Å; C123-R201 HydrophobicContact CB-CB 3.73Å; C123-R201 HydrophobicContact CB-CG 4.26Å; C123-R201 PolarHBondContact SG-NH1 2.98Å; C123-R201 VanDerWaalsContact SG-NH1 3.41Å
124	Y	98.7	Very high	96.9	Very high	26 Å²	26	26.9 Å²	26.9	10%	0.102	14%	0.138	C	C	.	.	I	π-helix	trans	-58.4	-45.4	178.4	-177.5	-87.5	0	0	0	112	F89 N121 M122 V126 D128 R129 E133 P307 W309	F89-Y124 HydrophobicContact CB-CD1 4.06Å; F89-Y124 HydrophobicContact CB-CE1 3.65Å; F89-Y124 AromaticContact CD1-CD1 3.81Å; F89-Y124 HydrophobicContact CD1-CD1 3.81Å; F89-Y124 AromaticContact CD1-CE1 3.46Å; F89-Y124 HydrophobicContact CD1-CE1 3.46Å; F89-Y124 VanDerWaalsContact CD1-CE1 3.46Å; F89-Y124 HydrophobicContact CD2-CE1 4.3Å; F89-Y124 HydrophobicContact CE1-CE1 4.19Å; F89-Y124 HydrophobicContact CG-CD1 4.16Å; F89-Y124 AromaticContact CG-CE1 3.53Å; F89-Y124 HydrophobicContact CG-CE1 3.53Å; N121-Y124 PolarHBondContact OD1-N 3.41Å; M122-Y124 VanDerWaalsContact C-N 3.32Å; M122-Y124 PolarHBondContact O-N 2.9Å; Y124-V126 VanDerWaalsContact C-N 3.35Å; Y124-V126 PolarHBondContact O-N 3.5Å; Y124-D128 WeakPolarHBondContact CA-OD2 3.28Å; Y124-D128 HydrophobicContact CD2-CB 3.39Å; Y124-D128 HydrophobicContact CE2-CB 3.62Å; Y124-D128 HydrophobicContact CG-CB 3.96Å; Y124-D128 PolarHBondContact O-N 2.79Å; Y124-D128 VanDerWaalsContact O-N 3.09Å; Y124-R129 HydrophobicContact CE1-CB 4.37Å; Y124-R129 WeakPolarHBondContact O-CB 3.36Å; Y124-R129 PolarHBondContact O-N 3.15Å; Y124-E133 PolarHBondContact OH-OE1 3.37Å; Y124-E133 VanDerWaalsContact OH-OE1 3.13Å; Y124-P307 HydrophobicContact CD2-CG 4.08Å; Y124-W309 HydrophobicContact CD2-CH2 4.08Å; Y124-W309 HydrophobicContact CE2-CH2 4.25Å; Y124-W309 HydrophobicContact CG-CH2 4.23Å; Y124-W309 HydrophobicContact CG-CZ3 4.4Å
125	N	98.7	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-68.9	-32.6	-177.8	-83.7	-73.4	0	0	0	113.6	F88 F89 T120 N121 M122 C123 R129 H130 L339	F88-N125 WeakPolarHBondContact CB-OD1 3.47Å; F88-N125 HydrophobicContact CD1-CB 3.89Å; F88-N125 WeakPolarHBondContact CD1-OD1 3.43Å; F88-N125 HydrophobicContact CE1-CB 4.46Å; F89-N125 PolarHBondContact N-OD1 2.97Å; F89-N125 PolarHBondContact O-ND2 3.34Å; T120-N125 PolarHBondContact OG1-ND2 3.13Å; N121-N125 PolarHBondContact O-N 3.21Å; N121-N125 PolarHBondContact O-ND2 3.5Å; M122-N125 PolarHBondContact O-N 3.27Å; C123-N125 VanDerWaalsContact C-N 3.33Å; C123-N125 PolarHBondContact O-N 3.21Å; N125-R129 PolarHBondContact O-NE 3.24Å; N125-R129 PolarHBondContact O-NH2 3.01Å; N125-H130 PolarHBondContact O-NE2 3.4Å; N125-L339 HydrophobicContact CB-CD2 3.96Å
126	V	98.6	Very high	96.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-96	-6.3	-177.6	-48.9	0	0	0	0	113.7	M122 C123 Y124 H130 L197 L339 L378 A379	M122-V126 WeakPolarHBondContact O-CG2 3.46Å; M122-V126 PolarHBondContact O-N 2.85Å; M122-V126 HydrophobicContact SD-CG1 3.97Å; C123-V126 PolarHBondContact O-N 2.94Å; Y124-V126 VanDerWaalsContact C-N 3.35Å; Y124-V126 PolarHBondContact O-N 3.5Å; V126-H130 PolarHBondContact O-CD2 3.19Å; V126-L197 HydrophobicContact CG2-CD2 3.78Å; V126-L339 HydrophobicContact CG1-CD1 4.15Å; V126-L378 HydrophobicContact CB-CB 3.84Å; V126-L378 HydrophobicContact CG2-CB 4.28Å; V126-A379 HydrophobicContact CG1-CB 3.83Å
127	L	98.4	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-131.3	-73.9	175.4	-66.4	-179.2	0	0	0	112.5	C123 R129 H130 V131 Y157 M160 L161 V164 L197	C123-L127 WeakPolarHBondContact O-CB 3.34Å; C123-L127 PolarHBondContact O-N 2.93Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.28Å; L127-H130 CarbonylContact O-C 3.53Å; L127-H130 WeakPolarHBondContact O-CA 3.46Å; L127-H130 WeakPolarHBondContact O-CB 3.38Å; L127-H130 PolarHBondContact O-N 3.45Å; L127-V131 PolarHBondContact O-N 3.34Å; L127-Y157 HydrophobicContact CD2-CD1 3.91Å; L127-Y157 HydrophobicContact CD2-CE1 4.35Å; L127-M160 HydrophobicContact CD1-CG 4.23Å; L127-M160 HydrophobicContact CD2-CB 4.29Å; L127-M160 HydrophobicContact CD2-CG 3.94Å; L127-M160 HydrophobicContact CD2-SD 3.68Å; L127-L161 HydrophobicContact CB-CD1 4.06Å; L127-L161 HydrophobicContact CD1-CD1 4.44Å; L127-V164 HydrophobicContact CD1-CB 4.08Å; L127-V164 HydrophobicContact CD1-CG1 4.21Å; L127-V164 HydrophobicContact CD1-CG2 3.85Å; L127-L197 HydrophobicContact CD1-CD1 3.82Å; L127-L197 HydrophobicContact CG-CD1 4.29Å
128	D	98.3	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-53.8	-45.6	-171.4	-58.9	-124.3	0	0	0	112.4	Y124 H130 V131 R132 L161 R201	Y124-D128 WeakPolarHBondContact CA-OD2 3.28Å; Y124-D128 HydrophobicContact CD2-CB 3.39Å; Y124-D128 HydrophobicContact CE2-CB 3.62Å; Y124-D128 HydrophobicContact CG-CB 3.96Å; Y124-D128 PolarHBondContact O-N 2.79Å; Y124-D128 VanDerWaalsContact O-N 3.09Å; D128-H130 VanDerWaalsContact C-N 3.33Å; D128-H130 PolarHBondContact O-N 3.02Å; D128-V131 PolarHBondContact O-N 3.44Å; D128-R132 VanDerWaalsContact O-CB 3.22Å; D128-R132 WeakPolarHBondContact O-CB 3.18Å; D128-R132 WeakPolarHBondContact O-CG 3.21Å; D128-R132 PolarHBondContact O-N 3Å; D128-R132 IonicContact OD1-CZ 3.57Å; D128-R132 IonicContact OD1-NH1 3.54Å; D128-R132 IonicContact OD1-NH2 3.8Å; D128-L161 WeakPolarHBondContact OD2-CD1 3.45Å; D128-R201 IonicContact OD1-CZ 2.78Å; D128-R201 IonicContact OD1-NH1 2.87Å; D128-R201 PolarHBondContact OD1-NH1 3.03Å; D128-R201 IonicContact OD1-NH2 2.77Å; D128-R201 PolarHBondContact OD1-NH2 3.15Å; D128-R201 IonicContact OD2-CZ 3.79Å; D128-R201 IonicContact OD2-NH1 3.57Å; D128-R201 PolarHBondContact OD2-NH1 3.18Å; D128-R201 IonicContact OD2-NH2 3.26Å
129	R	97.1	Very high	96.8	Very high	23 Å²	23	39 Å²	39	9%	0.087	19%	0.194	C	C	.	.	I	π-helix	trans	-57.1	-45.7	175.3	-177.3	-172.7	62.2	155.1	1.2	111.1	E87 Y124 N125 L127 E133 G134 A379	E87-R129 PolarHBondContact O-NH1 3.1Å; Y124-R129 HydrophobicContact CE1-CB 4.37Å; Y124-R129 WeakPolarHBondContact O-CB 3.36Å; Y124-R129 PolarHBondContact O-N 3.15Å; N125-R129 PolarHBondContact O-NE 3.24Å; N125-R129 PolarHBondContact O-NH2 3.01Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 3.28Å; R129-E133 CarbonylContact O-C 3.58Å; R129-E133 WeakPolarHBondContact O-CA 3.25Å; R129-E133 VanDerWaalsContact O-CB 3.24Å; R129-E133 WeakPolarHBondContact O-CB 3.5Å; R129-E133 PolarHBondContact O-N 2.93Å; R129-G134 PolarHBondContact O-N 3.25Å; R129-A379 PolarHBondContact NH2-O 2.93Å; R129-A379 VanDerWaalsContact NH2-O 3.1Å
130	H	96.8	Very high	96.8	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.088	19%	0.186	C	C	.	.	I	π-helix	trans	-68.3	-42.9	179.5	-69.8	-41.1	0	0	0	112.7	N125 V126 L127 D128 G134 N135 L136 Y157 L378 A379	N125-H130 PolarHBondContact O-NE2 3.4Å; V126-H130 PolarHBondContact O-CD2 3.19Å; L127-H130 CarbonylContact O-C 3.53Å; L127-H130 WeakPolarHBondContact O-CA 3.46Å; L127-H130 WeakPolarHBondContact O-CB 3.38Å; L127-H130 PolarHBondContact O-N 3.45Å; D128-H130 VanDerWaalsContact C-N 3.33Å; D128-H130 PolarHBondContact O-N 3.02Å; H130-G134 CarbonylContact O-C 3.2Å; H130-G134 VanDerWaalsContact O-C 3.24Å; H130-G134 VanDerWaalsContact O-CA 3.26Å; H130-G134 WeakPolarHBondContact O-CA 3.42Å; H130-G134 PolarHBondContact O-N 3.5Å; H130-N135 PolarHBondContact O-N 2.86Å; H130-L136 HydrophobicContact CB-CB 4.29Å; H130-L136 HydrophobicContact CB-CD1 4.07Å; H130-L136 HydrophobicContact CB-CG 4.44Å; H130-L136 WeakPolarHBondContact O-CB 3.26Å; H130-L136 PolarHBondContact O-N 3.23Å; H130-Y157 HydrophobicContact CB-CD1 4.33Å; H130-L378 PolarHBondContact CD2-O 3.02Å; H130-L378 PolarHBondContact NE2-O 3.38Å; H130-A379 PolarHBondContact NE2-O 2.79Å
131	V	96.9	Very high	96.9	Very high	28 Å²	28	36.7 Å²	36.7	17%	0.17	19%	0.186	C	C	.	.	I	π-helix	trans	-70.4	-50	-179.4	175.5	0	0	0	0	111.3	L127 D128 L161	L127-V131 PolarHBondContact O-N 3.34Å; D128-V131 PolarHBondContact O-N 3.44Å; V131-L161 HydrophobicContact CB-CD2 4.01Å; V131-L161 HydrophobicContact CG1-CD2 4.06Å; V131-L161 HydrophobicContact CG2-CB 4.28Å; V131-L161 HydrophobicContact CG2-CD2 4.04Å
132	R	93.1	Very high	96.9	Very high	124 Å²	124	36.8 Å²	36.8	47%	0.468	19%	0.187	S	C	.	.	I	π-helix	trans	-88.2	-38.4	-168.8	-59.9	175.5	177.4	175.3	-3.3	113.2	D128	D128-R132 VanDerWaalsContact O-CB 3.22Å; D128-R132 WeakPolarHBondContact O-CB 3.18Å; D128-R132 WeakPolarHBondContact O-CG 3.21Å; D128-R132 PolarHBondContact O-N 3Å; D128-R132 IonicContact OD1-CZ 3.57Å; D128-R132 IonicContact OD1-NH1 3.54Å; D128-R132 IonicContact OD1-NH2 3.8Å
133	E	91.1	Very high	96.9	Very high	113 Å²	113	39.5 Å²	39.5	53%	0.528	20%	0.197	S	C	.	.	I	π-helix	trans	-102.1	-36.5	-176.4	-52	174.6	-170.4	0	0	111.4	Y124 R129	Y124-E133 PolarHBondContact OH-OE1 3.37Å; Y124-E133 VanDerWaalsContact OH-OE1 3.13Å; R129-E133 CarbonylContact O-C 3.58Å; R129-E133 WeakPolarHBondContact O-CA 3.25Å; R129-E133 VanDerWaalsContact O-CB 3.24Å; R129-E133 WeakPolarHBondContact O-CB 3.5Å; R129-E133 PolarHBondContact O-N 2.93Å
134	G	88.8	Confident	96.9	Very high	38 Å²	38	40.7 Å²	40.7	39%	0.392	20%	0.202	S	C	.	.	S	Bend	trans	-86.7	-4.7	179.9	0	0	0	0	0	115.3	R129 H130 L136	R129-G134 PolarHBondContact O-N 3.25Å; H130-G134 CarbonylContact O-C 3.2Å; H130-G134 VanDerWaalsContact O-C 3.24Å; H130-G134 VanDerWaalsContact O-CA 3.26Å; H130-G134 WeakPolarHBondContact O-CA 3.42Å; H130-G134 PolarHBondContact O-N 3.5Å; G134-L136 WeakPolarHBondContact O-CD2 3.31Å; G134-L136 PolarHBondContact O-N 2.82Å; G134-L136 VanDerWaalsContact O-N 3.17Å
135	N	93.9	Very high	96.8	Very high	141 Å²	141	39.4 Å²	39.4	75%	0.754	20%	0.197	S	C	*	.			trans	50.9	32.9	-174.1	-74	-20.1	0	0	0	114	H130 G137	H130-N135 PolarHBondContact O-N 2.86Å; N135-G137 VanDerWaalsContact C-N 3.32Å
136	L	96.6	Very high	96.7	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.131	20%	0.197	C	C	.	.			trans	-89.8	9.6	-179.8	-57.4	-170	0	0	0	113.3	H130 G134 E138 K139 Y157	H130-L136 HydrophobicContact CB-CB 4.29Å; H130-L136 HydrophobicContact CB-CD1 4.07Å; H130-L136 HydrophobicContact CB-CG 4.44Å; H130-L136 WeakPolarHBondContact O-CB 3.26Å; H130-L136 PolarHBondContact O-N 3.23Å; G134-L136 WeakPolarHBondContact O-CD2 3.31Å; G134-L136 PolarHBondContact O-N 2.82Å; G134-L136 VanDerWaalsContact O-N 3.17Å; L136-E138 VanDerWaalsContact C-N 3.28Å; L136-E138 PolarHBondContact O-N 2.9Å; L136-K139 HydrophobicContact CB-CB 4.12Å; L136-K139 HydrophobicContact CD1-CD 4.37Å; L136-K139 HydrophobicContact CD2-CD 4.14Å; L136-K139 VanDerWaalsContact O-CB 3.25Å; L136-K139 WeakPolarHBondContact O-CB 3.45Å; L136-K139 PolarHBondContact O-N 2.77Å; L136-Y157 HydrophobicContact CB-CD2 4.42Å; L136-Y157 WeakPolarHBondContact O-CB 3.34Å
137	G	97.6	Very high	96.5	Very high	13 Å²	13	40 Å²	40	13%	0.134	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-43.3	-175.8	0	0	0	0	0	114.3	N135 T156 G158	N135-G137 VanDerWaalsContact C-N 3.32Å; G137-T156 VanDerWaalsContact O-CB 3.26Å; G137-T156 WeakPolarHBondContact O-CB 3.19Å; G137-T156 PolarHBondContact O-OG1 3.32Å; G137-G158 PolarHBondContact O-N 3.32Å
138	E	98.2	Very high	96.1	Very high	165 Å²	165	41.6 Å²	41.6	77%	0.771	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.4	178.2	-60.9	-53.8	123.5	0	0	113.6	L136 V140	L136-E138 VanDerWaalsContact C-N 3.28Å; L136-E138 PolarHBondContact O-N 2.9Å; E138-V140 PolarHBondContact O-N 3.05Å
139	K	98.1	Very high	95.9	Very high	30 Å²	30	43.2 Å²	43.2	13%	0.13	22%	0.222	C	C	.	.	S	Bend	trans	-67.6	135.9	177.3	-174	175.8	-178.1	177.9	0	108.9	L136 A141 T156 Y157 H354 G381 T383	L136-K139 HydrophobicContact CB-CB 4.12Å; L136-K139 HydrophobicContact CD1-CD 4.37Å; L136-K139 HydrophobicContact CD2-CD 4.14Å; L136-K139 VanDerWaalsContact O-CB 3.25Å; L136-K139 WeakPolarHBondContact O-CB 3.45Å; L136-K139 PolarHBondContact O-N 2.77Å; K139-A141 PolarHBondContact O-N 2.64Å; K139-T156 CarbonylContact O-C 3.55Å; K139-T156 VanDerWaalsContact O-CA 3.23Å; K139-T156 WeakPolarHBondContact O-CA 3.21Å; K139-T156 WeakPolarHBondContact O-CB 3.46Å; K139-Y157 HydrophobicContact CB-CD2 4.2Å; K139-Y157 WeakPolarHBondContact O-CD2 3.31Å; K139-Y157 PolarHBondContact O-N 3.43Å; K139-H354 PolarHBondContact NZ-CE1 3.27Å; K139-H354 VanDerWaalsContact NZ-CE1 3.27Å; K139-H354 PolarHBondContact NZ-ND1 3.39Å; K139-H354 VanDerWaalsContact NZ-ND1 3.19Å; K139-H354 PolarHBondContact NZ-O 2.97Å; K139-G381 WeakPolarHBondContact CE-O 3.38Å; K139-G381 PolarHBondContact NZ-O 2.89Å; K139-T383 VanDerWaalsContact CE-OG1 3.28Å; K139-T383 WeakPolarHBondContact CE-OG1 3.23Å
140	V	98.7	Very high	95.6	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.1	171.9	-178.4	0	0	0	0	109.2	E138 Y143 T154 T383	E138-V140 PolarHBondContact O-N 3.05Å; V140-Y143 HydrophobicContact CB-CE1 4.47Å; V140-Y143 HydrophobicContact CG1-CD1 4.04Å; V140-Y143 HydrophobicContact CG1-CD2 4.3Å; V140-Y143 HydrophobicContact CG1-CE1 3.82Å; V140-Y143 HydrophobicContact CG1-CE2 4.1Å; V140-Y143 HydrophobicContact CG1-CG 4.28Å; V140-Y143 HydrophobicContact CG2-CE1 4.19Å; V140-T154 HydrophobicContact CB-CG2 4.26Å; V140-T154 HydrophobicContact CG1-CG2 3.71Å; V140-T154 HydrophobicContact CG2-CG2 3.55Å; V140-T383 HydrophobicContact CB-CG2 3.99Å; V140-T383 HydrophobicContact CG1-CG2 3.92Å; V140-T383 WeakPolarHBondContact O-CA 3.48Å; V140-T383 WeakPolarHBondContact O-CB 3.39Å; V140-T383 PolarHBondContact O-OG1 3.18Å
141	A	98.6	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-47.8	170.6	0	0	0	0	0	110.6	K139 I155 Y157 M160 L378 S384	K139-A141 PolarHBondContact O-N 2.64Å; A141-I155 PolarHBondContact N-O 2.95Å; A141-Y157 HydrophobicContact CB-CD1 4.3Å; A141-Y157 HydrophobicContact CB-CD2 3.62Å; A141-Y157 HydrophobicContact CB-CE1 4.27Å; A141-Y157 HydrophobicContact CB-CE2 3.55Å; A141-Y157 HydrophobicContact CB-CG 3.97Å; A141-M160 HydrophobicContact CB-CE 3.14Å; A141-L378 HydrophobicContact CB-CD2 4.4Å; A141-S384 PolarHBondContact O-N 3.19Å
142	Y	98.9	Very high	95.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.6	174.2	-66.3	-71.7	0	0	0	113.3	I155 M160 V193 I373 L378 S384 L386	Y142-I155 PolarHBondContact N-O 2.85Å; Y142-I155 VanDerWaalsContact N-O 3.1Å; Y142-I155 PolarHBondContact O-N 3.08Å; Y142-M160 HydrophobicContact CD2-CE 3.41Å; Y142-M160 VanDerWaalsContact CD2-CE 3.41Å; Y142-M160 HydrophobicContact CE2-CE 3.51Å; Y142-M160 HydrophobicContact CE2-SD 4.17Å; Y142-V193 HydrophobicContact CE2-CG1 4Å; Y142-V193 HydrophobicContact CE2-CG2 4.34Å; Y142-I373 HydrophobicContact CE1-CG2 4.21Å; Y142-I373 PolarHBondContact OH-O 3.17Å; Y142-L378 HydrophobicContact CE2-CD1 4.48Å; Y142-L378 HydrophobicContact CE2-CD2 4.08Å; Y142-S384 CarbonylContact C-O 3.51Å; Y142-S384 VanDerWaalsContact CA-O 3.23Å; Y142-S384 WeakPolarHBondContact CA-O 3.4Å; Y142-L386 HydrophobicContact CD1-CB 3.89Å; Y142-L386 HydrophobicContact CG-CB 4.22Å
143	Y	98.8	Very high	95.5	Very high	56 Å²	56	51.8 Å²	51.8	22%	0.22	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.4	148.7	-59.4	-68.1	0	0	0	107.6	V140 T154 V357 T383 S384 V385 L386 Y406	V140-Y143 HydrophobicContact CB-CE1 4.47Å; V140-Y143 HydrophobicContact CG1-CD1 4.04Å; V140-Y143 HydrophobicContact CG1-CD2 4.3Å; V140-Y143 HydrophobicContact CG1-CE1 3.82Å; V140-Y143 HydrophobicContact CG1-CE2 4.1Å; V140-Y143 HydrophobicContact CG1-CG 4.28Å; V140-Y143 HydrophobicContact CG2-CE1 4.19Å; Y143-T154 HydrophobicContact CD1-CG2 4.06Å; Y143-T154 HydrophobicContact CE1-CG2 3.94Å; Y143-V357 HydrophobicContact CD2-CG1 4.48Å; Y143-V357 HydrophobicContact CE2-CG1 4.48Å; Y143-T383 HydrophobicContact CD2-CG2 4.05Å; Y143-T383 HydrophobicContact CE2-CG2 3.56Å; Y143-S384 PolarHBondContact N-O 2.85Å; Y143-V385 CarbonylContact O-C 3.3Å; Y143-V385 WeakPolarHBondContact O-CA 3.44Å; Y143-L386 PolarHBondContact O-N 3.09Å; Y143-Y406 AromaticContact CD1-CD1 3.73Å; Y143-Y406 HydrophobicContact CD1-CD1 3.73Å; Y143-Y406 AromaticContact CD1-CE1 3.64Å; Y143-Y406 HydrophobicContact CD1-CE1 3.64Å; Y143-Y406 AromaticContact CD2-CD1 3.69Å; Y143-Y406 HydrophobicContact CD2-CD1 3.69Å; Y143-Y406 HydrophobicContact CD2-CE1 4.32Å; Y143-Y406 HydrophobicContact CD2-CG 4.07Å; Y143-Y406 HydrophobicContact CE1-CD1 4.26Å; Y143-Y406 HydrophobicContact CE1-CE1 4.43Å; Y143-Y406 HydrophobicContact CE2-CD1 4.22Å; Y143-Y406 AromaticContact CG-CD1 3.41Å; Y143-Y406 HydrophobicContact CG-CD1 3.41Å; Y143-Y406 VanDerWaalsContact CG-CD1 3.41Å; Y143-Y406 AromaticContact CG-CE1 3.58Å; Y143-Y406 HydrophobicContact CG-CE1 3.58Å; Y143-Y406 HydrophobicContact CG-CG 4.08Å
144	W	98.6	Very high	95.9	Very high	25 Å²	25	49.4 Å²	49.4	10%	0.095	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.1	172.6	175.7	73.3	0	0	0	109.8	H151 H152 T153 I155 M188 I189 P190 L386	W144-H151 HydrophobicContact CH2-CB 4.09Å; W144-H151 HydrophobicContact CZ3-CB 4.14Å; W144-H152 CarbonylContact O-C 3.56Å; W144-H152 WeakPolarHBondContact O-CA 3.35Å; W144-H152 VanDerWaalsContact O-CB 3.31Å; W144-H152 WeakPolarHBondContact O-CB 3.44Å; W144-T153 HydrophobicContact CB-CG2 3.81Å; W144-T153 HydrophobicContact CD2-CG2 4.35Å; W144-T153 HydrophobicContact CE3-CG2 3.84Å; W144-T153 HydrophobicContact CG-CG2 4.39Å; W144-T153 PolarHBondContact N-O 3.36Å; W144-T153 PolarHBondContact O-N 3.39Å; W144-I155 HydrophobicContact CB-CD1 4.34Å; W144-M188 PolarHBondContact NE1-O 3.34Å; W144-I189 HydrophobicContact CZ2-CG2 4.11Å; W144-P190 HydrophobicContact CB-CG 4.15Å; W144-P190 HydrophobicContact CD2-CG 4.33Å; W144-P190 HydrophobicContact CG-CG 3.9Å; W144-L386 WeakPolarHBondContact CA-O 3.08Å
145	E	97.8	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.9	178.4	-172.1	79.4	-177.9	0	0	108.5	H152 L386 F387 E388 R398 V402 K405 Y406	E145-H152 WeakPolarHBondContact OE2-CB 3.2Å; E145-L386 PolarHBondContact N-O 3.43Å; E145-F387 HydrophobicContact CB-CD2 4.05Å; E145-F387 HydrophobicContact CG-CD2 4.02Å; E145-F387 HydrophobicContact CG-CE2 4.3Å; E145-E388 PolarHBondContact O-N 2.68Å; E145-R398 VanDerWaalsContact CD-NH2 3.32Å; E145-R398 IonicContact OE1-CZ 3.36Å; E145-R398 IonicContact OE1-NH1 3.25Å; E145-R398 PolarHBondContact OE1-NH1 2.73Å; E145-R398 IonicContact OE1-NH2 3.87Å; E145-R398 PolarHBondContact OE1-NH2 2.91Å; E145-V402 HydrophobicContact CG-CG2 4.21Å; E145-K405 IonicContact OE1-NZ 2.64Å; E145-K405 PolarHBondContact OE1-NZ 3.49Å; E145-K405 VanDerWaalsContact OE1-NZ 3.14Å; E145-K405 IonicContact OE2-NZ 3.81Å; E145-K405 PolarHBondContact OE2-NZ 2.69Å; E145-Y406 HydrophobicContact CB-CE2 4.28Å; E145-Y406 WeakPolarHBondContact OE2-CE2 3.4Å; E145-Y406 PolarHBondContact OE2-OH 3.44Å
146	G	96	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.			trans	-69.6	176.6	-178.4	0	0	0	0	0	113.6	S148 H151	G146-S148 PolarHBondContact O-N 2.65Å; G146-H151 WeakPolarHBondContact CA-O 3.46Å; G146-H151 PolarHBondContact N-O 2.79Å
147	N	93.7	Very high	96.7	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.07	21%	0.209	C	C	.	.	S	Bend	trans	-58.3	-34.4	174.9	-177.6	77	0	0	0	112.4	Y237 G239 E388	N147-Y237 WeakPolarHBondContact CB-O 3.35Å; N147-Y237 VanDerWaalsContact CG-O 3.32Å; N147-Y237 PolarHBondContact OD1-O 3.1Å; N147-G239 PolarHBondContact ND2-O 3Å; N147-G239 WeakPolarHBondContact OD1-CA 3.41Å; N147-G239 PolarHBondContact OD1-N 2.85Å; N147-E388 HydrophobicContact CB-CG 4.47Å; N147-E388 PolarHBondContact N-OE2 3.34Å
148	S	91.7	Very high	96.7	Very high	33 Å²	33	41.4 Å²	41.4	23%	0.231	22%	0.215	C	C	.	.	S	Bend	trans	-94.4	136.4	167.9	178.3	0	0	0	0	110.3	G146 E150 H151	G146-S148 PolarHBondContact O-N 2.65Å; S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 VanDerWaalsContact O-N 3.12Å; S148-E150 PolarHBondContact OG-N 3.1Å; S148-H151 PolarHBondContact O-N 2.85Å
149	P	92.1	Very high	96.7	Very high	34 Å²	34	37.9 Å²	37.9	22%	0.221	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.2	172.9	-17.8	26.7	0	0	0	114.5	H151 H152 P394 R398	P149-H151 VanDerWaalsContact C-N 3.29Å; P149-H151 PolarHBondContact O-N 3.44Å; P149-H152 PolarHBondContact O-ND1 3.47Å; P149-P394 HydrophobicContact CG-CG 3.99Å; P149-R398 VanDerWaalsContact CA-NH2 3.32Å
150	E	91.3	Very high	96.8	Very high	160 Å²	160	36.5 Å²	36.5	75%	0.748	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.1	179.3	-61.3	-179.1	175.4	0	0	112.4	S148	S148-E150 PolarHBondContact O-N 2.81Å; S148-E150 VanDerWaalsContact O-N 3.12Å; S148-E150 PolarHBondContact OG-N 3.1Å
151	H	93	Very high	96.7	Very high	54 Å²	54	36 Å²	36	25%	0.25	19%	0.189	C	C	.	.			trans	-99.1	103.8	177.7	-57.3	148.6	0	0	0	109.3	W144 G146 S148 P149 G274	W144-H151 HydrophobicContact CH2-CB 4.09Å; W144-H151 HydrophobicContact CZ3-CB 4.14Å; G146-H151 WeakPolarHBondContact CA-O 3.46Å; G146-H151 PolarHBondContact N-O 2.79Å; S148-H151 PolarHBondContact O-N 2.85Å; P149-H151 VanDerWaalsContact C-N 3.29Å; P149-H151 PolarHBondContact O-N 3.44Å; H151-G274 WeakPolarHBondContact CE1-CA 3.09Å; H151-G274 WeakPolarHBondContact ND1-CA 3.35Å
152	H	95.4	Very high	96.7	Very high	98 Å²	98	37.3 Å²	37.3	45%	0.454	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.4	176.9	58.2	-86.2	0	0	0	110.1	W144 E145 P149	W144-H152 CarbonylContact O-C 3.56Å; W144-H152 WeakPolarHBondContact O-CA 3.35Å; W144-H152 VanDerWaalsContact O-CB 3.31Å; W144-H152 WeakPolarHBondContact O-CB 3.44Å; E145-H152 WeakPolarHBondContact OE2-CB 3.2Å; P149-H152 PolarHBondContact O-ND1 3.47Å
153	T	97.3	Very high	96.7	Very high	62 Å²	62	40.6 Å²	40.6	38%	0.38	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.6	174	-166.4	0	0	0	0	110.6	W144 I155 P190	W144-T153 HydrophobicContact CB-CG2 3.81Å; W144-T153 HydrophobicContact CD2-CG2 4.35Å; W144-T153 HydrophobicContact CE3-CG2 3.84Å; W144-T153 HydrophobicContact CG-CG2 4.39Å; W144-T153 PolarHBondContact N-O 3.36Å; W144-T153 PolarHBondContact O-N 3.39Å; T153-I155 HydrophobicContact CG2-CD1 3.98Å; T153-I155 HydrophobicContact CG2-CG1 3.97Å; T153-P190 HydrophobicContact CG2-CG 4.49Å
154	T	98.6	Very high	96.7	Very high	62 Å²	62	38 Å²	38	38%	0.38	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.8	173.6	-60	0	0	0	0	108.2	V140 Y143 Q159	V140-T154 HydrophobicContact CB-CG2 4.26Å; V140-T154 HydrophobicContact CG1-CG2 3.71Å; V140-T154 HydrophobicContact CG2-CG2 3.55Å; Y143-T154 HydrophobicContact CD1-CG2 4.06Å; Y143-T154 HydrophobicContact CE1-CG2 3.94Å; T154-Q159 PolarHBondContact O-OE1 3.25Å
155	I	98.8	Very high	96.7	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.1	-176.1	-60.8	154.3	0	0	0	108.1	A141 Y142 W144 T153 Q159 M160 P190 Y194	A141-I155 PolarHBondContact N-O 2.95Å; Y142-I155 PolarHBondContact N-O 2.85Å; Y142-I155 VanDerWaalsContact N-O 3.1Å; Y142-I155 PolarHBondContact O-N 3.08Å; W144-I155 HydrophobicContact CB-CD1 4.34Å; T153-I155 HydrophobicContact CG2-CD1 3.98Å; T153-I155 HydrophobicContact CG2-CG1 3.97Å; I155-Q159 HydrophobicContact CG2-CB 4.41Å; I155-M160 HydrophobicContact CG2-CB 4.06Å; I155-M160 HydrophobicContact CG2-CE 4.22Å; I155-P190 HydrophobicContact CD1-CB 3.63Å; I155-P190 HydrophobicContact CD1-CG 3.55Å; I155-Y194 WeakPolarHBondContact CD1-OH 3.3Å; I155-Y194 HydrophobicContact CG2-CE1 4.45Å; I155-Y194 WeakPolarHBondContact CG2-OH 3.06Å
156	T	98.8	Very high	96.7	Very high	20 Å²	20	38.2 Å²	38.2	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	162.4	173.1	72	0	0	0	0	111.6	G137 K139 G158 Q159 M160	G137-T156 VanDerWaalsContact O-CB 3.26Å; G137-T156 WeakPolarHBondContact O-CB 3.19Å; G137-T156 PolarHBondContact O-OG1 3.32Å; K139-T156 CarbonylContact O-C 3.55Å; K139-T156 VanDerWaalsContact O-CA 3.23Å; K139-T156 WeakPolarHBondContact O-CA 3.21Å; K139-T156 WeakPolarHBondContact O-CB 3.46Å; T156-G158 PolarHBondContact O-N 3.42Å; T156-Q159 PolarHBondContact O-N 2.84Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.4Å; T156-Q159 PolarHBondContact OG1-N 2.99Å; T156-Q159 PolarHBondContact OG1-OE1 2.99Å; T156-M160 WeakPolarHBondContact O-CB 3.25Å; T156-M160 PolarHBondContact O-N 3.18Å
157	Y	98.8	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-35.9	174.1	-84.1	-90.1	0	0	0	112.3	L127 H130 L136 K139 A141 M160 L161 L378 G381 A382	L127-Y157 HydrophobicContact CD2-CD1 3.91Å; L127-Y157 HydrophobicContact CD2-CE1 4.35Å; H130-Y157 HydrophobicContact CB-CD1 4.33Å; L136-Y157 HydrophobicContact CB-CD2 4.42Å; L136-Y157 WeakPolarHBondContact O-CB 3.34Å; K139-Y157 HydrophobicContact CB-CD2 4.2Å; K139-Y157 WeakPolarHBondContact O-CD2 3.31Å; K139-Y157 PolarHBondContact O-N 3.43Å; A141-Y157 HydrophobicContact CB-CD1 4.3Å; A141-Y157 HydrophobicContact CB-CD2 3.62Å; A141-Y157 HydrophobicContact CB-CE1 4.27Å; A141-Y157 HydrophobicContact CB-CE2 3.55Å; A141-Y157 HydrophobicContact CB-CG 3.97Å; Y157-M160 PolarHBondContact O-N 2.87Å; Y157-L161 WeakPolarHBondContact O-CB 3.31Å; Y157-L161 PolarHBondContact O-N 2.74Å; Y157-L378 HydrophobicContact CE1-CD2 3.8Å; Y157-G381 VanDerWaalsContact OH-CA 3.25Å; Y157-G381 WeakPolarHBondContact OH-CA 3.17Å; Y157-A382 PolarHBondContact OH-N 3.49Å; Y157-A382 PolarHBondContact OH-O 3.26Å
158	G	98.4	Very high	97	Very high	24 Å²	24	37.6 Å²	37.6	25%	0.247	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-46.7	176.3	0	0	0	0	0	112.3	G137 T156 M160 L161 S162	G137-G158 PolarHBondContact O-N 3.32Å; T156-G158 PolarHBondContact O-N 3.42Å; G158-M160 PolarHBondContact O-N 3.46Å; G158-L161 PolarHBondContact O-N 3.28Å; G158-S162 PolarHBondContact O-N 3.01Å; G158-S162 VanDerWaalsContact O-N 3.08Å
159	Q	98.3	Very high	97.4	Very high	92 Å²	92	37.3 Å²	37.3	43%	0.43	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-44.1	174.6	-71.4	169.3	-29.4	0	0	111.4	T154 I155 T156 L161 S162 H163	T154-Q159 PolarHBondContact O-OE1 3.25Å; I155-Q159 HydrophobicContact CG2-CB 4.41Å; T156-Q159 PolarHBondContact O-N 2.84Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.4Å; T156-Q159 PolarHBondContact OG1-N 2.99Å; T156-Q159 PolarHBondContact OG1-OE1 2.99Å; Q159-L161 PolarHBondContact O-N 3.44Å; Q159-S162 PolarHBondContact O-N 2.88Å; Q159-H163 PolarHBondContact O-CD2 3.25Å; Q159-H163 PolarHBondContact O-N 2.89Å
160	M	98.4	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-43.7	177.3	-172.3	175.8	-34.8	0	0	112.3	L127 A141 Y142 I155 T156 Y157 G158 S162 H163 V164 V193 Y194 L197 L378	L127-M160 HydrophobicContact CD1-CG 4.23Å; L127-M160 HydrophobicContact CD2-CB 4.29Å; L127-M160 HydrophobicContact CD2-CG 3.94Å; L127-M160 HydrophobicContact CD2-SD 3.68Å; A141-M160 HydrophobicContact CB-CE 3.14Å; Y142-M160 HydrophobicContact CD2-CE 3.41Å; Y142-M160 VanDerWaalsContact CD2-CE 3.41Å; Y142-M160 HydrophobicContact CE2-CE 3.51Å; Y142-M160 HydrophobicContact CE2-SD 4.17Å; I155-M160 HydrophobicContact CG2-CB 4.06Å; I155-M160 HydrophobicContact CG2-CE 4.22Å; T156-M160 WeakPolarHBondContact O-CB 3.25Å; T156-M160 PolarHBondContact O-N 3.18Å; Y157-M160 PolarHBondContact O-N 2.87Å; G158-M160 PolarHBondContact O-N 3.46Å; M160-S162 VanDerWaalsContact C-N 3.35Å; M160-S162 PolarHBondContact O-N 3.03Å; M160-H163 PolarHBondContact O-N 3.03Å; M160-V164 HydrophobicContact CG-CG2 4.3Å; M160-V164 WeakPolarHBondContact O-CB 3.47Å; M160-V164 VanDerWaalsContact O-CG2 3.23Å; M160-V164 WeakPolarHBondContact O-CG2 3.37Å; M160-V164 PolarHBondContact O-N 3.35Å; M160-V193 HydrophobicContact SD-CG1 4.25Å; M160-Y194 HydrophobicContact CB-CE1 4.38Å; M160-Y194 HydrophobicContact CG-CD1 4.05Å; M160-Y194 HydrophobicContact CG-CE1 3.87Å; M160-L197 HydrophobicContact SD-CD1 3.86Å; M160-L378 HydrophobicContact CE-CD2 4.08Å; M160-L378 HydrophobicContact SD-CD1 4.13Å; M160-L378 HydrophobicContact SD-CD2 4.12Å
161	L	98.5	Very high	98	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.084	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-44.5	177	177.3	59.5	0	0	0	111.7	L127 D128 V131 Y157 G158 Q159 V164 C165	L127-L161 HydrophobicContact CB-CD1 4.06Å; L127-L161 HydrophobicContact CD1-CD1 4.44Å; D128-L161 WeakPolarHBondContact OD2-CD1 3.45Å; V131-L161 HydrophobicContact CB-CD2 4.01Å; V131-L161 HydrophobicContact CG1-CD2 4.06Å; V131-L161 HydrophobicContact CG2-CB 4.28Å; V131-L161 HydrophobicContact CG2-CD2 4.04Å; Y157-L161 WeakPolarHBondContact O-CB 3.31Å; Y157-L161 PolarHBondContact O-N 2.74Å; G158-L161 PolarHBondContact O-N 3.28Å; Q159-L161 PolarHBondContact O-N 3.44Å; L161-V164 PolarHBondContact O-N 3.2Å; L161-C165 PolarHBondContact O-N 3.3Å; L161-C165 PolarHBondContact O-SG 2.92Å
162	S	97.6	Very high	98.2	Very high	27 Å²	27	28.9 Å²	28.9	19%	0.189	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-52.4	176	171	0	0	0	0	111.5	G158 Q159 M160 V164 C165 H166	G158-S162 PolarHBondContact O-N 3.01Å; G158-S162 VanDerWaalsContact O-N 3.08Å; Q159-S162 PolarHBondContact O-N 2.88Å; M160-S162 VanDerWaalsContact C-N 3.35Å; M160-S162 PolarHBondContact O-N 3.03Å; S162-V164 VanDerWaalsContact C-N 3.31Å; S162-V164 PolarHBondContact O-N 3.4Å; S162-C165 PolarHBondContact O-N 3.45Å; S162-C165 VanDerWaalsContact O-N 3.12Å; S162-H166 PolarHBondContact O-CD2 3.49Å; S162-H166 VanDerWaalsContact O-CD2 3.25Å; S162-H166 PolarHBondContact O-N 3.15Å
163	H	98.1	Very high	98.3	Very high	72 Å²	72	30.5 Å²	30.5	33%	0.333	16%	0.157	S	C	.	.	H	α-helix	trans	-59.7	-38.8	177.8	-73.7	-61.9	0	0	0	113.1	Q159 M160 C167 Y194 M298	Q159-H163 PolarHBondContact O-CD2 3.25Å; Q159-H163 PolarHBondContact O-N 2.89Å; M160-H163 PolarHBondContact O-N 3.03Å; H163-C167 WeakPolarHBondContact O-CB 3.48Å; H163-C167 PolarHBondContact O-N 3.15Å; H163-Y194 HydrophobicContact CB-CD1 4.2Å; H163-Y194 HydrophobicContact CB-CD2 3.67Å; H163-Y194 HydrophobicContact CB-CE1 4.23Å; H163-Y194 HydrophobicContact CB-CE2 3.68Å; H163-Y194 HydrophobicContact CB-CG 3.94Å; H163-Y194 AromaticContact CD2-CE2 3.85Å; H163-Y194 AromaticContact CD2-CZ 3.79Å; H163-Y194 AromaticContact CG-CE2 3.69Å; H163-M298 WeakPolarHBondContact O-CE 3.46Å
164	V	98.7	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-40.1	176.5	167.1	0	0	0	0	111.7	L127 M160 L161 S162 C167 A168 Y194 L197 A198	L127-V164 HydrophobicContact CD1-CB 4.08Å; L127-V164 HydrophobicContact CD1-CG1 4.21Å; L127-V164 HydrophobicContact CD1-CG2 3.85Å; M160-V164 HydrophobicContact CG-CG2 4.3Å; M160-V164 WeakPolarHBondContact O-CB 3.47Å; M160-V164 VanDerWaalsContact O-CG2 3.23Å; M160-V164 WeakPolarHBondContact O-CG2 3.37Å; M160-V164 PolarHBondContact O-N 3.35Å; L161-V164 PolarHBondContact O-N 3.2Å; S162-V164 VanDerWaalsContact C-N 3.31Å; S162-V164 PolarHBondContact O-N 3.4Å; V164-C167 PolarHBondContact O-N 2.98Å; V164-A168 VanDerWaalsContact O-CB 3.22Å; V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.16Å; V164-Y194 HydrophobicContact CG2-CD1 4.31Å; V164-L197 HydrophobicContact CG1-CB 3.95Å; V164-L197 HydrophobicContact CG2-CB 3.68Å; V164-L197 HydrophobicContact CG2-CD1 4.14Å; V164-A198 HydrophobicContact CG1-CB 4.42Å
165	C	98.6	Very high	98.2	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-42.3	177.8	-69.6	0	0	0	0	112.1	L161 S162 A168 N169 E303 C305	L161-C165 PolarHBondContact O-N 3.3Å; L161-C165 PolarHBondContact O-SG 2.92Å; S162-C165 PolarHBondContact O-N 3.45Å; S162-C165 VanDerWaalsContact O-N 3.12Å; C165-A168 PolarHBondContact O-N 3.06Å; C165-N169 WeakPolarHBondContact O-CB 3.36Å; C165-N169 PolarHBondContact O-N 3.42Å; C165-N169 PolarHBondContact O-ND2 2.9Å; C165-E303 WeakPolarHBondContact CB-O 3.41Å; C165-C305 HydrophobicContact CB-CB 3.78Å
166	H	98.3	Very high	98.2	Very high	27 Å²	27	27.4 Å²	27.4	13%	0.125	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-53.3	171.3	-76.8	-60.4	0	0	0	111.7	S162 A168 N169 V170 M298 S301 S302 E303	S162-H166 PolarHBondContact O-CD2 3.49Å; S162-H166 VanDerWaalsContact O-CD2 3.25Å; S162-H166 PolarHBondContact O-N 3.15Å; H166-A168 VanDerWaalsContact C-N 3.32Å; H166-A168 PolarHBondContact O-N 3.45Å; H166-N169 PolarHBondContact O-N 3.31Å; H166-N169 VanDerWaalsContact O-N 3.13Å; H166-V170 WeakPolarHBondContact O-CG2 3.44Å; H166-V170 PolarHBondContact O-N 3.5Å; H166-M298 HydrophobicContact CB-CE 3.33Å; H166-M298 HydrophobicContact CB-SD 3.81Å; H166-S301 WeakPolarHBondContact CA-OG 3.44Å; H166-S301 VanDerWaalsContact CB-OG 3.22Å; H166-S301 WeakPolarHBondContact CB-OG 3.4Å; H166-S301 PolarHBondContact CE1-O 2.84Å; H166-S301 PolarHBondContact ND1-O 3.45Å; H166-S301 PolarHBondContact ND1-OG 3.29Å; H166-S302 PolarHBondContact ND1-O 3.17Å; H166-E303 WeakPolarHBondContact CE1-CG 3.47Å; H166-E303 WeakPolarHBondContact NE2-CG 3.35Å; H166-E303 IonicContact NE2-OE1 2.77Å
167	C	98.6	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-41.3	180	-178.4	0	0	0	0	111.7	H163 V164 N169 V170 L171 A198 W294 M298	H163-C167 WeakPolarHBondContact O-CB 3.48Å; H163-C167 PolarHBondContact O-N 3.15Å; V164-C167 PolarHBondContact O-N 2.98Å; C167-N169 VanDerWaalsContact C-N 3.33Å; C167-N169 PolarHBondContact O-N 2.78Å; C167-V170 WeakPolarHBondContact O-CB 3.5Å; C167-V170 PolarHBondContact O-N 3.07Å; C167-L171 WeakPolarHBondContact O-CG 3.48Å; C167-L171 PolarHBondContact O-N 3.33Å; C167-A198 HydrophobicContact CB-CB 3.77Å; C167-A198 VanDerWaalsContact SG-CB 3.56Å; C167-W294 HydrophobicContact CB-CH2 3.94Å; C167-W294 HydrophobicContact CB-CZ2 4.31Å; C167-W294 WeakPolarHBondContact SG-CH2 3.46Å; C167-M298 HydrophobicContact CB-CE 4.22Å; C167-M298 HydrophobicContact CB-SD 4.07Å
168	A	98.8	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-41.8	175.8	0	0	0	0	0	112.2	V164 C165 H166 L171 K172 A198 I202 C305	V164-A168 VanDerWaalsContact O-CB 3.22Å; V164-A168 WeakPolarHBondContact O-CB 3.39Å; V164-A168 PolarHBondContact O-N 3.16Å; C165-A168 PolarHBondContact O-N 3.06Å; H166-A168 VanDerWaalsContact C-N 3.32Å; H166-A168 PolarHBondContact O-N 3.45Å; A168-L171 PolarHBondContact O-N 3.22Å; A168-K172 WeakPolarHBondContact O-CG 3.49Å; A168-K172 PolarHBondContact O-N 2.82Å; A168-A198 HydrophobicContact CB-CB 4.04Å; A168-I202 HydrophobicContact CB-CG2 3.66Å; A168-C305 HydrophobicContact CB-CB 4.28Å
169	N	98.6	Very high	98	Very high	28 Å²	28	40 Å²	40	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-38.7	175.5	-75.6	-31.9	0	0	0	112.2	C165 H166 C167 K172 R173 S302 D304 C305	C165-N169 WeakPolarHBondContact O-CB 3.36Å; C165-N169 PolarHBondContact O-N 3.42Å; C165-N169 PolarHBondContact O-ND2 2.9Å; H166-N169 PolarHBondContact O-N 3.31Å; H166-N169 VanDerWaalsContact O-N 3.13Å; C167-N169 VanDerWaalsContact C-N 3.33Å; C167-N169 PolarHBondContact O-N 2.78Å; N169-K172 PolarHBondContact O-N 3.42Å; N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.01Å; N169-S302 PolarHBondContact ND2-O 2.81Å; N169-D304 PolarHBondContact ND2-O 3.14Å; N169-C305 PolarHBondContact OD1-SG 3.11Å
170	V	98.4	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-51.6	172.5	171.4	0	0	0	0	110.7	H166 C167 K172 R173 M174 L268 A297 M298	H166-V170 WeakPolarHBondContact O-CG2 3.44Å; H166-V170 PolarHBondContact O-N 3.5Å; C167-V170 WeakPolarHBondContact O-CB 3.5Å; C167-V170 PolarHBondContact O-N 3.07Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 3.37Å; V170-R173 WeakPolarHBondContact O-CB 3.28Å; V170-R173 PolarHBondContact O-N 2.93Å; V170-M174 HydrophobicContact CG1-CE 4.17Å; V170-M174 HydrophobicContact CG1-SD 4.28Å; V170-M174 WeakPolarHBondContact O-CG 3.5Å; V170-M174 PolarHBondContact O-N 2.81Å; V170-L268 HydrophobicContact CG1-CD1 4.4Å; V170-L268 HydrophobicContact CG1-CD2 3.97Å; V170-A297 HydrophobicContact CG1-CB 3.83Å; V170-A297 HydrophobicContact CG2-CB 4.06Å; V170-A297 VanDerWaalsContact CG2-O 3.28Å; V170-A297 WeakPolarHBondContact CG2-O 3.26Å; V170-M298 HydrophobicContact CG2-SD 3.87Å
171	L	98.5	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-41.9	179.3	-68.1	175.7	0	0	0	111.6	C167 A168 R173 M174 G175 V176 V182 A198 I202 V229 V231	C167-L171 WeakPolarHBondContact O-CG 3.48Å; C167-L171 PolarHBondContact O-N 3.33Å; A168-L171 PolarHBondContact O-N 3.22Å; L171-R173 PolarHBondContact O-N 3.07Å; L171-M174 PolarHBondContact O-N 2.99Å; L171-G175 PolarHBondContact O-N 2.89Å; L171-V176 HydrophobicContact CB-CB 4.2Å; L171-V176 HydrophobicContact CB-CG2 4.15Å; L171-V176 HydrophobicContact CD2-CG2 4.42Å; L171-V176 VanDerWaalsContact O-CB 3.28Å; L171-V176 WeakPolarHBondContact O-CB 3.46Å; L171-V176 WeakPolarHBondContact O-CG2 3.48Å; L171-V176 PolarHBondContact O-N 3.32Å; L171-V182 HydrophobicContact CD2-CG1 4.45Å; L171-A198 HydrophobicContact CD1-CB 4.07Å; L171-I202 HydrophobicContact CB-CD1 3.82Å; L171-I202 HydrophobicContact CD1-CD1 4.37Å; L171-V229 HydrophobicContact CD2-CG1 4.19Å; L171-V231 HydrophobicContact CD2-CG2 4.44Å
172	K	97.9	Very high	98	Very high	69 Å²	69	39 Å²	39	30%	0.3	19%	0.19	S	C	.	.	H	α-helix	trans	-59	-42.8	173.3	-78.6	176.3	167.2	177.1	0	112	A168 N169 V170 M174 G175 I202 E308	A168-K172 WeakPolarHBondContact O-CG 3.49Å; A168-K172 PolarHBondContact O-N 2.82Å; N169-K172 PolarHBondContact O-N 3.42Å; V170-K172 VanDerWaalsContact C-N 3.32Å; V170-K172 PolarHBondContact O-N 3.37Å; K172-M174 VanDerWaalsContact C-N 3.34Å; K172-M174 PolarHBondContact O-N 3.38Å; K172-G175 WeakPolarHBondContact O-CA 3.45Å; K172-G175 PolarHBondContact O-N 3.1Å; K172-I202 HydrophobicContact CD-CG2 4.08Å; K172-I202 VanDerWaalsContact CE-CG2 3.45Å; K172-I202 HydrophobicContact CG-CD1 4.24Å; K172-I202 HydrophobicContact CG-CG2 4.2Å; K172-E308 IonicContact NZ-OE1 3.87Å
173	R	96.8	Very high	98	Very high	133 Å²	133	37.8 Å²	37.8	50%	0.502	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-33.8	175.9	-71.6	-165.6	-51.4	-99.6	5.2	113.1	N169 V170 L171 G175 A297	N169-R173 WeakPolarHBondContact O-CG 3.35Å; N169-R173 PolarHBondContact O-N 3.01Å; V170-R173 WeakPolarHBondContact O-CB 3.28Å; V170-R173 PolarHBondContact O-N 2.93Å; L171-R173 PolarHBondContact O-N 3.07Å; R173-G175 PolarHBondContact O-N 3.41Å; R173-A297 PolarHBondContact NH2-O 3.48Å
174	M	96.8	Very high	98.1	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.084	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-3	171.4	-67.9	-174.9	164.8	0	0	113.1	V170 L171 K172 V229 K266 L268 E292	V170-M174 HydrophobicContact CG1-CE 4.17Å; V170-M174 HydrophobicContact CG1-SD 4.28Å; V170-M174 WeakPolarHBondContact O-CG 3.5Å; V170-M174 PolarHBondContact O-N 2.81Å; L171-M174 PolarHBondContact O-N 2.99Å; K172-M174 VanDerWaalsContact C-N 3.34Å; K172-M174 PolarHBondContact O-N 3.38Å; M174-V229 HydrophobicContact CB-CG2 4.25Å; M174-V229 HydrophobicContact SD-CG1 4.21Å; M174-K266 HydrophobicContact CB-CB 4.31Å; M174-K266 HydrophobicContact CB-CG 4.24Å; M174-K266 HydrophobicContact CG-CB 4.27Å; M174-K266 HydrophobicContact CG-CG 4.27Å; M174-K266 HydrophobicContact SD-CB 4Å; M174-L268 HydrophobicContact CE-CB 4.07Å; M174-L268 HydrophobicContact CE-CD1 3.73Å; M174-L268 HydrophobicContact CE-CG 4.36Å; M174-L268 HydrophobicContact SD-CB 4.35Å; M174-E292 HydrophobicContact CE-CB 3.94Å; M174-E292 HydrophobicContact CE-CG 4.38Å; M174-E292 WeakPolarHBondContact CE-OE2 3.46Å
175	G	96.8	Very high	98	Very high	42 Å²	42	34.3 Å²	34.3	43%	0.433	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	6.4	174.2	0	0	0	0	0	114.6	L171 K172 R173	L171-G175 PolarHBondContact O-N 2.89Å; K172-G175 WeakPolarHBondContact O-CA 3.45Å; K172-G175 PolarHBondContact O-N 3.1Å; R173-G175 PolarHBondContact O-N 3.41Å
176	V	98.3	Very high	98	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.03	17%	0.165	C	C	.	.			trans	-67.4	130.1	178	-177.9	0	0	0	0	110.4	L171 D180 V182 I202 A204 V229	L171-V176 HydrophobicContact CB-CB 4.2Å; L171-V176 HydrophobicContact CB-CG2 4.15Å; L171-V176 HydrophobicContact CD2-CG2 4.42Å; L171-V176 VanDerWaalsContact O-CB 3.28Å; L171-V176 WeakPolarHBondContact O-CB 3.46Å; L171-V176 WeakPolarHBondContact O-CG2 3.48Å; L171-V176 PolarHBondContact O-N 3.32Å; V176-D180 HydrophobicContact CG1-CB 4.08Å; V176-V182 HydrophobicContact CG1-CG2 3.86Å; V176-V182 HydrophobicContact CG2-CG2 4.08Å; V176-I202 HydrophobicContact CB-CD1 4.25Å; V176-I202 HydrophobicContact CG1-CD1 3.86Å; V176-A204 HydrophobicContact CG1-CB 3.58Å; V176-V229 HydrophobicContact CG2-CB 4.19Å; V176-V229 HydrophobicContact CG2-CG2 3.47Å; V176-V229 VanDerWaalsContact CG2-CG2 3.47Å
177	R	97.1	Very high	97.9	Very high	190 Å²	190	33.2 Å²	33.2	72%	0.717	16%	0.16	S	C	*	.			trans	-120.6	169.6	177.5	-57.2	179.5	-175.9	-162.8	-0.9	111.1	G179 D180	R177-G179 PolarHBondContact O-N 3.19Å; R177-D180 PolarHBondContact N-OD2 2.9Å; R177-D180 WeakPolarHBondContact O-CB 3.46Å; R177-D180 PolarHBondContact O-N 3.16Å
178	K	98	Very high	97.9	Very high	87 Å²	87	33.8 Å²	33.8	38%	0.378	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	128.8	170.2	177.9	-177.5	175.2	-179	0	110.1	D180 G203 L310 D311 D314	K178-D180 VanDerWaalsContact C-N 3.34Å; K178-G203 CarbonylContact C-O 3.45Å; K178-G203 WeakPolarHBondContact CA-O 3.45Å; K178-L310 HydrophobicContact CD-CD2 3.91Å; K178-L310 HydrophobicContact CG-CD2 4.16Å; K178-D311 IonicContact NZ-OD2 2.7Å; K178-D314 VanDerWaalsContact CE-CG 3.49Å; K178-D314 WeakPolarHBondContact CE-OD2 3.44Å; K178-D314 IonicContact NZ-OD1 3.57Å; K178-D314 PolarHBondContact NZ-OD1 2.87Å; K178-D314 IonicContact NZ-OD2 3.46Å; K178-D314 PolarHBondContact NZ-OD2 2.72Å
179	G	97	Very high	97.8	Very high	32 Å²	32	34 Å²	34	33%	0.33	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-13.4	-179.3	0	0	0	0	0	115	R177 R181 G203	R177-G179 PolarHBondContact O-N 3.19Å; G179-R181 WeakPolarHBondContact O-CD 3.44Å; G179-R181 PolarHBondContact O-NH1 3.06Å; G179-G203 PolarHBondContact N-O 3.33Å
180	D	98.3	Very high	97.8	Very high	44 Å²	44	33.1 Å²	33.1	24%	0.235	16%	0.16	C	C	.	.			trans	-69.6	147	175.1	-71.4	-22.6	0	0	0	111.2	V176 R177 K178 A204 V205	V176-D180 HydrophobicContact CG1-CB 4.08Å; R177-D180 PolarHBondContact N-OD2 2.9Å; R177-D180 WeakPolarHBondContact O-CB 3.46Å; R177-D180 PolarHBondContact O-N 3.16Å; K178-D180 VanDerWaalsContact C-N 3.34Å; D180-A204 CarbonylContact O-C 3.36Å; D180-A204 WeakPolarHBondContact O-CA 3.16Å; D180-V205 PolarHBondContact O-N 3.29Å
181	R	97.8	Very high	97.8	Very high	43 Å²	43	35.1 Å²	35.1	16%	0.162	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.9	179.6	-74	68.9	55.8	-145.2	-5.9	110.8	G179 V205 A225 Q226 S227 S228 I318 Y535	G179-R181 WeakPolarHBondContact O-CD 3.44Å; G179-R181 PolarHBondContact O-NH1 3.06Å; R181-V205 VanDerWaalsContact CA-O 3.23Å; R181-V205 WeakPolarHBondContact CA-O 3.1Å; R181-V205 HydrophobicContact CG-CB 4.09Å; R181-V205 HydrophobicContact CG-CG1 4.42Å; R181-A225 HydrophobicContact CB-CB 4.38Å; R181-A225 WeakPolarHBondContact CB-O 3.42Å; R181-A225 HydrophobicContact CG-CB 4.37Å; R181-A225 WeakPolarHBondContact CG-O 3.07Å; R181-A225 PolarHBondContact NE-O 3.02Å; R181-Q226 PolarHBondContact NH2-O 3.28Å; R181-S227 CarbonylContact O-C 3.58Å; R181-S227 VanDerWaalsContact O-CA 3.27Å; R181-S227 WeakPolarHBondContact O-CA 3.25Å; R181-S228 PolarHBondContact O-N 3.05Å; R181-S228 PolarHBondContact O-OG 3.48Å; R181-I318 HydrophobicContact CG-CD1 3.66Å; R181-Y535 PolarHBondContact NE-OH 3.39Å; R181-Y535 VanDerWaalsContact NE-OH 3.11Å
182	V	98.8	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115	175.1	-179.6	0	0	0	0	108.2	L171 V176 I184 A204 V205 H206 S207 V229 V231	L171-V182 HydrophobicContact CD2-CG1 4.45Å; V176-V182 HydrophobicContact CG1-CG2 3.86Å; V176-V182 HydrophobicContact CG2-CG2 4.08Å; V182-I184 HydrophobicContact CG1-CG1 4.35Å; V182-A204 HydrophobicContact CG2-CB 4.25Å; V182-V205 PolarHBondContact N-O 2.85Å; V182-V205 VanDerWaalsContact N-O 3.12Å; V182-H206 CarbonylContact O-C 3.5Å; V182-H206 WeakPolarHBondContact O-CA 3.39Å; V182-S207 PolarHBondContact O-N 3.21Å; V182-V229 HydrophobicContact CG1-CB 4.34Å; V182-V229 HydrophobicContact CG1-CG1 4.41Å; V182-V231 HydrophobicContact CG1-CG2 3.98Å
183	S	98.6	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132	173.9	-78	0	0	0	0	109.9	S207 S227 V229 L230 V231	S183-S207 WeakPolarHBondContact CA-O 3.17Å; S183-S227 WeakPolarHBondContact OG-CB 3.26Å; S183-S227 PolarHBondContact OG-OG 3.25Å; S183-V229 PolarHBondContact N-O 3.41Å; S183-L230 CarbonylContact O-C 3.57Å; S183-L230 WeakPolarHBondContact O-CA 3.27Å; S183-V231 PolarHBondContact O-N 3.11Å
184	I	98.8	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.7	-179.3	-49.4	174.5	0	0	0	108.4	V182 L186 L192 T195 M196 H206 S207 V208 V209	V182-I184 HydrophobicContact CG1-CG1 4.35Å; I184-L186 HydrophobicContact CG2-CB 4.18Å; I184-L186 HydrophobicContact CG2-CD1 3.65Å; I184-L186 HydrophobicContact CG2-CG 3.74Å; I184-L192 HydrophobicContact CB-CD1 4.46Å; I184-L192 HydrophobicContact CG2-CD1 3.52Å; I184-T195 HydrophobicContact CD1-CG2 3.53Å; I184-T195 HydrophobicContact CG1-CG2 3.81Å; I184-T195 HydrophobicContact CG2-CG2 4.43Å; I184-M196 HydrophobicContact CD1-CG 3.9Å; I184-H206 HydrophobicContact CD1-CB 3.73Å; I184-H206 HydrophobicContact CG1-CB 4.48Å; I184-S207 PolarHBondContact N-O 2.84Å; I184-V208 HydrophobicContact CB-CG2 4.34Å; I184-V208 HydrophobicContact CD1-CG2 4.23Å; I184-V208 CarbonylContact O-C 3.37Å; I184-V208 WeakPolarHBondContact O-CA 3.43Å; I184-V209 PolarHBondContact O-N 3.15Å
185	Y	98.3	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	67.9	-179.7	-173.6	-109.6	0	0	0	109.4	V209 F210 A211 F213 L218 V231 T232 L245 I248	Y185-V209 HydrophobicContact CD2-CB 4.03Å; Y185-V209 HydrophobicContact CD2-CG1 3.98Å; Y185-V209 WeakPolarHBondContact CD2-O 3.46Å; Y185-V209 HydrophobicContact CE2-CG1 4.37Å; Y185-F210 VanDerWaalsContact CE2-O 3.29Å; Y185-F210 WeakPolarHBondContact CE2-O 3.38Å; Y185-A211 VanDerWaalsContact CE2-CA 3.47Å; Y185-A211 PolarHBondContact OH-O 2.99Å; Y185-A211 VanDerWaalsContact OH-O 3.06Å; Y185-F213 HydrophobicContact CE2-CB 4.46Å; Y185-F213 PolarHBondContact OH-O 3.22Å; Y185-L218 HydrophobicContact CD1-CD2 4Å; Y185-L218 HydrophobicContact CD2-CD1 4.04Å; Y185-L218 HydrophobicContact CD2-CD2 4.19Å; Y185-L218 HydrophobicContact CE1-CD2 4.26Å; Y185-L218 HydrophobicContact CE2-CD2 4.42Å; Y185-L218 HydrophobicContact CG-CD1 4.19Å; Y185-L218 HydrophobicContact CG-CD2 3.97Å; Y185-V231 PolarHBondContact N-O 3.03Å; Y185-T232 PolarHBondContact O-OG1 2.91Å; Y185-L245 HydrophobicContact CD1-CB 4.42Å; Y185-L245 HydrophobicContact CD1-CD2 4.23Å; Y185-L245 HydrophobicContact CE1-CB 4.12Å; Y185-L245 HydrophobicContact CE1-CD2 3.46Å; Y185-L245 VanDerWaalsContact CE1-CD2 3.46Å; Y185-L245 HydrophobicContact CE1-CG 4.35Å; Y185-I248 HydrophobicContact CE1-CB 4.38Å; Y185-I248 HydrophobicContact CE1-CG2 4.08Å
186	L	98.5	Very high	98.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.108	C	C	.	.			trans	-116.4	150.8	-174	-65.7	177.5	0	0	0	112.1	I184 E191 L192 A211 V231 T232 A233 I270	I184-L186 HydrophobicContact CG2-CB 4.18Å; I184-L186 HydrophobicContact CG2-CD1 3.65Å; I184-L186 HydrophobicContact CG2-CG 3.74Å; L186-E191 HydrophobicContact CD1-CB 4.42Å; L186-L192 HydrophobicContact CB-CB 4.03Å; L186-L192 HydrophobicContact CB-CD1 4.23Å; L186-L192 HydrophobicContact CB-CD2 4.46Å; L186-L192 HydrophobicContact CB-CG 4.46Å; L186-L192 HydrophobicContact CD1-CB 4.17Å; L186-A211 WeakPolarHBondContact O-CB 3.33Å; L186-V231 HydrophobicContact CD1-CG1 3.93Å; L186-V231 HydrophobicContact CD2-CG1 4.44Å; L186-V231 HydrophobicContact CG-CG1 4.42Å; L186-T232 VanDerWaalsContact CD2-CA 3.45Å; L186-T232 WeakPolarHBondContact CD2-O 3.18Å; L186-A233 HydrophobicContact CD2-CB 4.07Å; L186-I270 HydrophobicContact CD1-CD1 3.67Å; L186-I270 HydrophobicContact CD2-CD1 3.36Å; L186-I270 HydrophobicContact CG-CD1 4.18Å
187	P	96.4	Very high	98.2	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.032	11%	0.107	C	C	.	.			trans	-70.8	-178.4	166.8	33.5	-33.1	0	0	0	110.8	I189 L192 V236 L245	P187-I189 HydrophobicContact CG-CD1 3.87Å; P187-I189 HydrophobicContact CG-CG1 3.97Å; P187-I189 HydrophobicContact CG-CG2 3.95Å; P187-I189 PolarHBondContact O-N 3.32Å; P187-L192 WeakPolarHBondContact O-CD2 3.27Å; P187-V236 HydrophobicContact CB-CB 3.82Å; P187-V236 HydrophobicContact CB-CG1 4.15Å; P187-V236 HydrophobicContact CB-CG2 3.54Å; P187-V236 HydrophobicContact CG-CB 4.03Å; P187-V236 HydrophobicContact CG-CG2 4.05Å; P187-L245 HydrophobicContact CG-CD1 4.19Å
188	M	96.8	Very high	98.3	Very high	11 Å²	11	13.9 Å²	13.9	5%	0.054	7%	0.073	C	C	.	.	S	Bend	trans	-77	61.7	-179.1	-76.3	-63.9	-69.6	0	0	111.8	W144 L192 A362 D363 I364 I373 L386 E388	W144-M188 PolarHBondContact NE1-O 3.34Å; M188-L192 HydrophobicContact SD-CD2 4.37Å; M188-A362 WeakPolarHBondContact CE-O 3.46Å; M188-D363 HydrophobicContact SD-CB 4.4Å; M188-I364 HydrophobicContact CE-CD1 4.13Å; M188-I364 HydrophobicContact CE-CG1 4Å; M188-I364 HydrophobicContact SD-CB 3.89Å; M188-I364 HydrophobicContact SD-CD1 3.97Å; M188-I364 HydrophobicContact SD-CG1 3.72Å; M188-I364 PolarHBondContact SD-N 3.12Å; M188-I373 HydrophobicContact CE-CD1 3.85Å; M188-L386 HydrophobicContact CE-CD1 3.52Å; M188-E388 HydrophobicContact CB-CB 4.28Å; M188-E388 HydrophobicContact CB-CG 4.38Å
189	I	97.8	Very high	98.3	Very high	5 Å²	5	9.7 Å²	9.7	3%	0.026	6%	0.055	C	C	.	.	S	Bend	trans	-113.3	160	178.9	59.5	176.5	0	0	0	111.2	W144 P187 E191 L192 I270 H272 E388	W144-I189 HydrophobicContact CZ2-CG2 4.11Å; P187-I189 HydrophobicContact CG-CD1 3.87Å; P187-I189 HydrophobicContact CG-CG1 3.97Å; P187-I189 HydrophobicContact CG-CG2 3.95Å; P187-I189 PolarHBondContact O-N 3.32Å; I189-E191 WeakPolarHBondContact CB-OE2 3.46Å; I189-E191 HydrophobicContact CD1-CB 4.3Å; I189-E191 WeakPolarHBondContact CD1-OE2 3.46Å; I189-E191 HydrophobicContact CG1-CB 4.39Å; I189-E191 WeakPolarHBondContact CG1-OE2 3.35Å; I189-E191 PolarHBondContact O-N 2.92Å; I189-L192 VanDerWaalsContact O-CB 3.32Å; I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 2.97Å; I189-L192 VanDerWaalsContact O-N 3.09Å; I189-I270 HydrophobicContact CD1-CD1 4.44Å; I189-I270 HydrophobicContact CD1-CG2 3.97Å; I189-H272 WeakPolarHBondContact CG2-NE2 3.45Å; I189-E388 WeakPolarHBondContact CG2-OE1 3.22Å
190	P	98.3	Very high	98.4	Very high	10 Å²	10	8.2 Å²	8.2	7%	0.065	4%	0.04	C	C	.	.	H	α-helix	trans	-55.7	-36	-177.1	-27.8	37.9	0	0	0	114.4	W144 T153 I155 L192 V193 Y194	W144-P190 HydrophobicContact CB-CG 4.15Å; W144-P190 HydrophobicContact CD2-CG 4.33Å; W144-P190 HydrophobicContact CG-CG 3.9Å; T153-P190 HydrophobicContact CG2-CG 4.49Å; I155-P190 HydrophobicContact CD1-CB 3.63Å; I155-P190 HydrophobicContact CD1-CG 3.55Å; P190-L192 PolarHBondContact O-N 3.32Å; P190-L192 VanDerWaalsContact O-N 3.15Å; P190-V193 PolarHBondContact O-N 3.19Å; P190-Y194 HydrophobicContact CB-CD2 4.45Å; P190-Y194 HydrophobicContact CB-CE1 4.18Å; P190-Y194 HydrophobicContact CB-CE2 3.71Å; P190-Y194 WeakPolarHBondContact O-CD1 3.34Å; P190-Y194 VanDerWaalsContact O-CG 3.3Å; P190-Y194 PolarHBondContact O-N 2.8Å
191	E	98.6	Very high	98.4	Very high	42 Å²	42	6.1 Å²	6.1	20%	0.196	3%	0.028	C	C	.	.	H	α-helix	trans	-60.4	-26.2	-179.8	-64.4	78.1	-173.1	0	0	112.6	L186 I189 Y194 T195 I270 W294	L186-E191 HydrophobicContact CD1-CB 4.42Å; I189-E191 WeakPolarHBondContact CB-OE2 3.46Å; I189-E191 HydrophobicContact CD1-CB 4.3Å; I189-E191 WeakPolarHBondContact CD1-OE2 3.46Å; I189-E191 HydrophobicContact CG1-CB 4.39Å; I189-E191 WeakPolarHBondContact CG1-OE2 3.35Å; I189-E191 PolarHBondContact O-N 2.92Å; E191-Y194 HydrophobicContact CG-CD2 4.42Å; E191-Y194 PolarHBondContact O-N 2.81Å; E191-T195 VanDerWaalsContact O-CB 3.28Å; E191-T195 WeakPolarHBondContact O-CB 3.33Å; E191-T195 PolarHBondContact O-N 3.32Å; E191-T195 PolarHBondContact O-OG1 3.5Å; E191-I270 HydrophobicContact CB-CD1 3.56Å; E191-I270 HydrophobicContact CB-CG1 4.23Å; E191-I270 HydrophobicContact CG-CD1 4.02Å; E191-I270 HydrophobicContact CG-CG1 4.12Å; E191-I270 HydrophobicContact CG-CG2 4.37Å; E191-W294 HydrophobicContact CB-CH2 4.12Å; E191-W294 HydrophobicContact CB-CZ2 4.01Å; E191-W294 HydrophobicContact CB-CZ3 4.48Å; E191-W294 HydrophobicContact CG-CD2 4.23Å; E191-W294 HydrophobicContact CG-CH2 4.37Å; E191-W294 HydrophobicContact CG-CZ2 3.77Å
192	L	98.8	Very high	98.5	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.9	-48.2	172.4	175.7	49.3	0	0	0	111	I184 L186 P187 M188 I189 P190 T195 M196 V208 I364	I184-L192 HydrophobicContact CB-CD1 4.46Å; I184-L192 HydrophobicContact CG2-CD1 3.52Å; L186-L192 HydrophobicContact CB-CB 4.03Å; L186-L192 HydrophobicContact CB-CD1 4.23Å; L186-L192 HydrophobicContact CB-CD2 4.46Å; L186-L192 HydrophobicContact CB-CG 4.46Å; L186-L192 HydrophobicContact CD1-CB 4.17Å; P187-L192 WeakPolarHBondContact O-CD2 3.27Å; M188-L192 HydrophobicContact SD-CD2 4.37Å; I189-L192 VanDerWaalsContact O-CB 3.32Å; I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 2.97Å; I189-L192 VanDerWaalsContact O-N 3.09Å; P190-L192 PolarHBondContact O-N 3.32Å; P190-L192 VanDerWaalsContact O-N 3.15Å; L192-T195 PolarHBondContact O-N 3.03Å; L192-M196 HydrophobicContact CD1-CG 4.39Å; L192-M196 HydrophobicContact CD1-SD 4.2Å; L192-M196 WeakPolarHBondContact O-CG 3.38Å; L192-M196 PolarHBondContact O-N 3.42Å; L192-M196 VanDerWaalsContact O-N 3.09Å; L192-V208 HydrophobicContact CD1-CG1 4.07Å; L192-V208 HydrophobicContact CD1-CG2 4.39Å; L192-I364 HydrophobicContact CD1-CG2 4.12Å; L192-I364 HydrophobicContact CD2-CB 3.67Å; L192-I364 HydrophobicContact CD2-CD1 4.04Å; L192-I364 HydrophobicContact CD2-CG1 4.41Å; L192-I364 HydrophobicContact CD2-CG2 3.84Å; L192-I364 HydrophobicContact CG-CB 4.22Å; L192-I364 HydrophobicContact CG-CD1 4.11Å; L192-I364 HydrophobicContact CG-CG2 3.89Å
193	V	98.8	Very high	98.5	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-66.1	-42.9	176.6	178.7	0	0	0	0	110.5	Y142 M160 P190 T195 M196 L197 I364 T374 L378 L386	Y142-V193 HydrophobicContact CE2-CG1 4Å; Y142-V193 HydrophobicContact CE2-CG2 4.34Å; M160-V193 HydrophobicContact SD-CG1 4.25Å; P190-V193 PolarHBondContact O-N 3.19Å; V193-T195 VanDerWaalsContact C-N 3.32Å; V193-T195 PolarHBondContact O-N 3.27Å; V193-M196 PolarHBondContact O-N 2.79Å; V193-L197 HydrophobicContact CG1-CD1 3.77Å; V193-L197 HydrophobicContact CG1-CG 4.3Å; V193-L197 WeakPolarHBondContact O-CG 3.27Å; V193-L197 PolarHBondContact O-N 3.4Å; V193-I364 HydrophobicContact CG2-CD1 3.77Å; V193-T374 HydrophobicContact CG1-CG2 4.09Å; V193-L378 HydrophobicContact CG1-CD1 4.37Å; V193-L386 HydrophobicContact CG2-CD2 4.33Å
194	Y	98.8	Very high	98.5	Very high	9 Å²	9	4.5 Å²	4.5	4%	0.035	2%	0.024	C	C	.	.	H	α-helix	trans	-59.5	-44.6	178.9	-55.7	-20.9	0	0	0	111.6	I155 M160 H163 V164 P190 E191 L197 A198 W294	I155-Y194 WeakPolarHBondContact CD1-OH 3.3Å; I155-Y194 HydrophobicContact CG2-CE1 4.45Å; I155-Y194 WeakPolarHBondContact CG2-OH 3.06Å; M160-Y194 HydrophobicContact CB-CE1 4.38Å; M160-Y194 HydrophobicContact CG-CD1 4.05Å; M160-Y194 HydrophobicContact CG-CE1 3.87Å; H163-Y194 HydrophobicContact CB-CD1 4.2Å; H163-Y194 HydrophobicContact CB-CD2 3.67Å; H163-Y194 HydrophobicContact CB-CE1 4.23Å; H163-Y194 HydrophobicContact CB-CE2 3.68Å; H163-Y194 HydrophobicContact CB-CG 3.94Å; H163-Y194 AromaticContact CD2-CE2 3.85Å; H163-Y194 AromaticContact CD2-CZ 3.79Å; H163-Y194 AromaticContact CG-CE2 3.69Å; V164-Y194 HydrophobicContact CG2-CD1 4.31Å; P190-Y194 HydrophobicContact CB-CD2 4.45Å; P190-Y194 HydrophobicContact CB-CE1 4.18Å; P190-Y194 HydrophobicContact CB-CE2 3.71Å; P190-Y194 WeakPolarHBondContact O-CD1 3.34Å; P190-Y194 VanDerWaalsContact O-CG 3.3Å; P190-Y194 PolarHBondContact O-N 2.8Å; E191-Y194 HydrophobicContact CG-CD2 4.42Å; E191-Y194 PolarHBondContact O-N 2.81Å; Y194-L197 PolarHBondContact O-N 2.7Å; Y194-A198 WeakPolarHBondContact O-CB 3.44Å; Y194-A198 PolarHBondContact O-N 3.29Å; Y194-W294 HydrophobicContact CD2-CZ2 4.43Å
195	T	98.9	Very high	98.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.4	-42	179.9	-54.2	0	0	0	0	111.7	I184 E191 L192 V193 A198 C199 V231 W294	I184-T195 HydrophobicContact CD1-CG2 3.53Å; I184-T195 HydrophobicContact CG1-CG2 3.81Å; I184-T195 HydrophobicContact CG2-CG2 4.43Å; E191-T195 VanDerWaalsContact O-CB 3.28Å; E191-T195 WeakPolarHBondContact O-CB 3.33Å; E191-T195 PolarHBondContact O-N 3.32Å; E191-T195 PolarHBondContact O-OG1 3.5Å; L192-T195 PolarHBondContact O-N 3.03Å; V193-T195 VanDerWaalsContact C-N 3.32Å; V193-T195 PolarHBondContact O-N 3.27Å; T195-A198 PolarHBondContact O-N 2.79Å; T195-C199 PolarHBondContact O-N 2.83Å; T195-C199 PolarHBondContact O-SG 3.48Å; T195-V231 HydrophobicContact CG2-CB 4.12Å; T195-V231 HydrophobicContact CG2-CG1 4.23Å; T195-V231 HydrophobicContact CG2-CG2 3.77Å; T195-W294 WeakPolarHBondContact OG1-CH2 3.28Å; T195-W294 WeakPolarHBondContact OG1-CZ3 3.35Å
196	M	98.9	Very high	98.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-60.3	-46.4	175.9	-73.9	174.2	63.6	0	0	112	I184 L192 V193 C199 A200 V208 I364 T374 Y375	I184-M196 HydrophobicContact CD1-CG 3.9Å; L192-M196 HydrophobicContact CD1-CG 4.39Å; L192-M196 HydrophobicContact CD1-SD 4.2Å; L192-M196 WeakPolarHBondContact O-CG 3.38Å; L192-M196 PolarHBondContact O-N 3.42Å; L192-M196 VanDerWaalsContact O-N 3.09Å; V193-M196 PolarHBondContact O-N 2.79Å; M196-C199 PolarHBondContact O-N 2.79Å; M196-A200 WeakPolarHBondContact O-CB 3.18Å; M196-A200 PolarHBondContact O-N 3.34Å; M196-V208 HydrophobicContact CG-CG2 3.97Å; M196-V208 HydrophobicContact SD-CG2 3.96Å; M196-I364 HydrophobicContact CE-CG2 4.05Å; M196-I364 HydrophobicContact SD-CG2 3.25Å; M196-I364 WeakPolarHBondContact SD-CG2 3.23Å; M196-T374 HydrophobicContact CE-CG2 4.19Å; M196-Y375 HydrophobicContact CE-CE2 3.91Å
197	L	98.9	Very high	98.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-71.6	-35.4	179.9	-66.2	175.8	0	0	0	111.8	V126 L127 M160 V164 V193 Y194 A200 R201 T374 Y375 L378	V126-L197 HydrophobicContact CG2-CD2 3.78Å; L127-L197 HydrophobicContact CD1-CD1 3.82Å; L127-L197 HydrophobicContact CG-CD1 4.29Å; M160-L197 HydrophobicContact SD-CD1 3.86Å; V164-L197 HydrophobicContact CG1-CB 3.95Å; V164-L197 HydrophobicContact CG2-CB 3.68Å; V164-L197 HydrophobicContact CG2-CD1 4.14Å; V193-L197 HydrophobicContact CG1-CD1 3.77Å; V193-L197 HydrophobicContact CG1-CG 4.3Å; V193-L197 WeakPolarHBondContact O-CG 3.27Å; V193-L197 PolarHBondContact O-N 3.4Å; Y194-L197 PolarHBondContact O-N 2.7Å; L197-A200 CarbonylContact O-C 3.24Å; L197-A200 PolarHBondContact O-N 3.34Å; L197-R201 VanDerWaalsContact O-CB 3.31Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 2.95Å; L197-T374 HydrophobicContact CD2-CG2 4.23Å; L197-T374 HydrophobicContact CG-CG2 4.43Å; L197-Y375 HydrophobicContact CD2-CD1 4.41Å; L197-Y375 HydrophobicContact CD2-CE1 3.95Å; L197-L378 HydrophobicContact CD1-CD1 3.78Å; L197-L378 HydrophobicContact CD2-CD1 4.48Å
198	A	98.9	Very high	98.6	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.4	-43.8	173.5	0	0	0	0	0	111.7	V164 C167 A168 L171 Y194 T195 R201 I202	V164-A198 HydrophobicContact CG1-CB 4.42Å; C167-A198 HydrophobicContact CB-CB 3.77Å; C167-A198 VanDerWaalsContact SG-CB 3.56Å; A168-A198 HydrophobicContact CB-CB 4.04Å; L171-A198 HydrophobicContact CD1-CB 4.07Å; Y194-A198 WeakPolarHBondContact O-CB 3.44Å; Y194-A198 PolarHBondContact O-N 3.29Å; T195-A198 PolarHBondContact O-N 2.79Å; A198-R201 WeakPolarHBondContact O-CB 2.99Å; A198-R201 PolarHBondContact O-N 2.99Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 3.23Å; A198-I202 VanDerWaalsContact O-N 3.15Å
199	C	98.9	Very high	98.2	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.6	-49.8	173.2	-67.4	0	0	0	0	111.1	T195 M196 R201 I202 G203 A204 H206	T195-C199 PolarHBondContact O-N 2.83Å; T195-C199 PolarHBondContact O-SG 3.48Å; M196-C199 PolarHBondContact O-N 2.79Å; C199-R201 PolarHBondContact O-N 3.09Å; C199-I202 PolarHBondContact O-N 3.08Å; C199-G203 PolarHBondContact O-N 2.9Å; C199-A204 CarbonylContact C-O 3.52Å; C199-A204 HydrophobicContact CB-CB 4.06Å; C199-A204 PolarHBondContact O-N 2.8Å; C199-H206 HydrophobicContact CB-CB 3.81Å
200	A	98.8	Very high	97.5	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.008	2%	0.023	C	C	.	.	H	α-helix	trans	-61.5	-31.5	177.4	0	0	0	0	0	113	N121 M122 M196 L197 L316	N121-A200 PolarHBondContact ND2-O 3.38Å; N121-A200 VanDerWaalsContact ND2-O 3.15Å; M122-A200 HydrophobicContact CB-CB 4.23Å; M122-A200 HydrophobicContact CG-CB 4.31Å; M196-A200 WeakPolarHBondContact O-CB 3.18Å; M196-A200 PolarHBondContact O-N 3.34Å; L197-A200 CarbonylContact O-C 3.24Å; L197-A200 PolarHBondContact O-N 3.34Å; A200-L316 HydrophobicContact CB-CD1 3.69Å
201	R	98.8	Very high	96.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-66	-41.6	176.3	-170.3	176.4	-165.7	79.8	0.7	111.8	N121 C123 D128 L197 A198 C199 C305 P307 E308	N121-R201 PolarHBondContact ND2-O 2.86Å; C123-R201 HydrophobicContact CB-CB 3.73Å; C123-R201 HydrophobicContact CB-CG 4.26Å; C123-R201 PolarHBondContact SG-NH1 2.98Å; C123-R201 VanDerWaalsContact SG-NH1 3.41Å; D128-R201 IonicContact OD1-CZ 2.78Å; D128-R201 IonicContact OD1-NH1 2.87Å; D128-R201 PolarHBondContact OD1-NH1 3.03Å; D128-R201 IonicContact OD1-NH2 2.77Å; D128-R201 PolarHBondContact OD1-NH2 3.15Å; D128-R201 IonicContact OD2-CZ 3.79Å; D128-R201 IonicContact OD2-NH1 3.57Å; D128-R201 PolarHBondContact OD2-NH1 3.18Å; D128-R201 IonicContact OD2-NH2 3.26Å; L197-R201 VanDerWaalsContact O-CB 3.31Å; L197-R201 WeakPolarHBondContact O-CB 3.41Å; L197-R201 PolarHBondContact O-N 2.95Å; A198-R201 WeakPolarHBondContact O-CB 2.99Å; A198-R201 PolarHBondContact O-N 2.99Å; C199-R201 PolarHBondContact O-N 3.09Å; R201-C305 PolarHBondContact NE-O 3.33Å; R201-C305 PolarHBondContact NH2-O 3.35Å; R201-P307 HydrophobicContact CG-CB 4.13Å; R201-E308 PolarHBondContact O-N 3.33Å
202	I	98.8	Very high	95.5	Very high	3 Å²	3	2.5 Å²	2.5	2%	0.015	2%	0.017	C	C	.	.	H	α-helix	trans	-97.5	6.8	-175.3	72.6	-179.8	0	0	0	113.5	A168 L171 K172 V176 A198 C199 A204 E308	A168-I202 HydrophobicContact CB-CG2 3.66Å; L171-I202 HydrophobicContact CB-CD1 3.82Å; L171-I202 HydrophobicContact CD1-CD1 4.37Å; K172-I202 HydrophobicContact CD-CG2 4.08Å; K172-I202 VanDerWaalsContact CE-CG2 3.45Å; K172-I202 HydrophobicContact CG-CD1 4.24Å; K172-I202 HydrophobicContact CG-CG2 4.2Å; V176-I202 HydrophobicContact CB-CD1 4.25Å; V176-I202 HydrophobicContact CG1-CD1 3.86Å; A198-I202 WeakPolarHBondContact O-CG1 3.35Å; A198-I202 PolarHBondContact O-N 3.23Å; A198-I202 VanDerWaalsContact O-N 3.15Å; C199-I202 PolarHBondContact O-N 3.08Å; I202-A204 HydrophobicContact CD1-CB 4.24Å; I202-A204 HydrophobicContact CG1-CB 3.89Å; I202-A204 PolarHBondContact O-N 2.66Å; I202-E308 WeakPolarHBondContact O-CG 3.26Å
203	G	98.6	Very high	94.2	Very high	5 Å²	5	3.1 Å²	3.1	5%	0.052	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	15.4	-178	0	0	0	0	0	114.8	K178 G179 C199 L310	K178-G203 CarbonylContact C-O 3.45Å; K178-G203 WeakPolarHBondContact CA-O 3.45Å; G179-G203 PolarHBondContact N-O 3.33Å; C199-G203 PolarHBondContact O-N 2.9Å; G203-L310 VanDerWaalsContact CA-CD2 3.45Å
204	A	98.8	Very high	93.2	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.008	3%	0.031	C	C	.	.			trans	-76.6	149.8	170.6	0	0	0	0	0	110	V176 D180 V182 C199 I202	V176-A204 HydrophobicContact CG1-CB 3.58Å; D180-A204 CarbonylContact O-C 3.36Å; D180-A204 WeakPolarHBondContact O-CA 3.16Å; V182-A204 HydrophobicContact CG2-CB 4.25Å; C199-A204 CarbonylContact C-O 3.52Å; C199-A204 HydrophobicContact CB-CB 4.06Å; C199-A204 PolarHBondContact O-N 2.8Å; I202-A204 HydrophobicContact CD1-CB 4.24Å; I202-A204 HydrophobicContact CG1-CB 3.89Å; I202-A204 PolarHBondContact O-N 2.66Å
205	V	98.8	Very high	92.4	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.024	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	99.5	-177.6	-172.4	0	0	0	0	108	D180 R181 V182 P315 I318	D180-V205 PolarHBondContact O-N 3.29Å; R181-V205 VanDerWaalsContact CA-O 3.23Å; R181-V205 WeakPolarHBondContact CA-O 3.1Å; R181-V205 HydrophobicContact CG-CB 4.09Å; R181-V205 HydrophobicContact CG-CG1 4.42Å; V182-V205 PolarHBondContact N-O 2.85Å; V182-V205 VanDerWaalsContact N-O 3.12Å; V205-P315 HydrophobicContact CG1-CB 4.18Å; V205-P315 HydrophobicContact CG2-CB 3.84Å; V205-I318 HydrophobicContact CG1-CD1 3.94Å; V205-I318 HydrophobicContact CG1-CG1 3.75Å
206	H	98.9	Very high	91.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	149.2	179.3	68.6	83.2	0	0	0	111.4	V182 I184 C199 F317 I318 H370 Y375	V182-H206 CarbonylContact O-C 3.5Å; V182-H206 WeakPolarHBondContact O-CA 3.39Å; I184-H206 HydrophobicContact CD1-CB 3.73Å; I184-H206 HydrophobicContact CG1-CB 4.48Å; C199-H206 HydrophobicContact CB-CB 3.81Å; H206-F317 WeakPolarHBondContact CE1-CB 3.41Å; H206-F317 AromaticContact CE1-CG 3.88Å; H206-F317 WeakPolarHBondContact NE2-CB 3.46Å; H206-F317 VanDerWaalsContact O-CA 3.25Å; H206-F317 WeakPolarHBondContact O-CA 3.05Å; H206-F317 WeakPolarHBondContact O-CB 3.03Å; H206-I318 PolarHBondContact O-N 2.87Å; H206-H370 AromaticContact CE1-CD2 3.71Å; H206-H370 AromaticContact CE1-NE2 3.55Å; H206-H370 AromaticContact ND1-NE2 3.99Å; H206-Y375 AromaticContact NE2-CZ 3.84Å; H206-Y375 PolarHBondContact NE2-OH 3.26Å
207	S	98.5	Very high	90.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	88.3	175.8	169.2	0	0	0	0	109.2	V182 S183 I184 I318	V182-S207 PolarHBondContact O-N 3.21Å; S183-S207 WeakPolarHBondContact CA-O 3.17Å; I184-S207 PolarHBondContact N-O 2.84Å; S207-I318 WeakPolarHBondContact CA-O 3.46Å
208	V	98.4	Very high	89.8	Confident	4 Å²	4	7.8 Å²	7.8	2%	0.024	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.7	177	-171.2	0	0	0	0	110.2	I184 L192 M196 I364	I184-V208 HydrophobicContact CB-CG2 4.34Å; I184-V208 HydrophobicContact CD1-CG2 4.23Å; I184-V208 CarbonylContact O-C 3.37Å; I184-V208 WeakPolarHBondContact O-CA 3.43Å; L192-V208 HydrophobicContact CD1-CG1 4.07Å; L192-V208 HydrophobicContact CD1-CG2 4.39Å; M196-V208 HydrophobicContact CG-CG2 3.97Å; M196-V208 HydrophobicContact SD-CG2 3.96Å; V208-I364 HydrophobicContact CG1-CG2 4.45Å
209	V	88.9	Confident	89.3	Confident	2 Å²	2	7.8 Å²	7.8	1%	0.012	5%	0.047	C	C	.	.			trans	-119.3	123.1	174.6	-174.5	0	0	0	0	107.6	I184 Y185 A211 F213 L218 R221	I184-V209 PolarHBondContact O-N 3.15Å; Y185-V209 HydrophobicContact CD2-CB 4.03Å; Y185-V209 HydrophobicContact CD2-CG1 3.98Å; Y185-V209 WeakPolarHBondContact CD2-O 3.46Å; Y185-V209 HydrophobicContact CE2-CG1 4.37Å; V209-A211 PolarHBondContact O-N 2.78Å; V209-F213 HydrophobicContact CG1-CB 4.39Å; V209-F213 HydrophobicContact CG1-CD2 3.69Å; V209-F213 HydrophobicContact CG1-CE2 4.49Å; V209-L218 HydrophobicContact CB-CD1 4.03Å; V209-L218 HydrophobicContact CG1-CD1 3.96Å; V209-L218 HydrophobicContact CG2-CD1 4.02Å; V209-R221 HydrophobicContact CG2-CB 4.14Å
210	F	82.9	Confident	88.6	Confident	10 Å²	10	11.2 Å²	11.2	4%	0.044	6%	0.063	C	C	.	.			trans	-53.4	123.3	179.4	172.7	-126.8	0	0	0	111.6	Y185 G212 F213 D363 W366 R663	Y185-F210 VanDerWaalsContact CE2-O 3.29Å; Y185-F210 WeakPolarHBondContact CE2-O 3.38Å; F210-G212 PolarHBondContact O-N 3.13Å; F210-F213 HydrophobicContact CB-CD2 4.34Å; F210-F213 HydrophobicContact CB-CE1 4.5Å; F210-F213 HydrophobicContact CB-CE2 4.27Å; F210-F213 HydrophobicContact CB-CG 4.48Å; F210-F213 HydrophobicContact CB-CZ 4.35Å; F210-F213 AromaticContact CD1-CD1 3.88Å; F210-F213 HydrophobicContact CD1-CD1 3.88Å; F210-F213 AromaticContact CD1-CE1 3.89Å; F210-F213 HydrophobicContact CD1-CE1 3.89Å; F210-F213 HydrophobicContact CD1-CG 4.46Å; F210-F213 HydrophobicContact CD1-CZ 4.49Å; F210-F213 WeakPolarHBondContact O-CB 3.36Å; F210-F213 PolarHBondContact O-N 3.43Å; F210-D363 HydrophobicContact CD2-CB 4.29Å; F210-D363 VanDerWaalsContact CD2-CG 3.47Å; F210-D363 WeakPolarHBondContact CD2-OD1 3.24Å; F210-D363 WeakPolarHBondContact CD2-OD2 3.17Å; F210-D363 HydrophobicContact CE2-CB 4.17Å; F210-D363 VanDerWaalsContact CE2-OD2 3.24Å; F210-D363 WeakPolarHBondContact CE2-OD2 3.29Å; F210-W366 HydrophobicContact CD1-CZ2 4.14Å; F210-W366 HydrophobicContact CG-CZ2 4.4Å; F210-R663 HydrophobicContact CE1-CB 4.05Å; F210-R663 HydrophobicContact CE1-CG 4.46Å; F210-R663 HydrophobicContact CZ-CB 4.11Å
211	A	79.8	Confident	88	Confident	7 Å²	7	12 Å²	12	6%	0.058	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-8.2	-178.1	0	0	0	0	0	114.5	Y185 L186 V209 L245	Y185-A211 VanDerWaalsContact CE2-CA 3.47Å; Y185-A211 PolarHBondContact OH-O 2.99Å; Y185-A211 VanDerWaalsContact OH-O 3.06Å; L186-A211 WeakPolarHBondContact O-CB 3.33Å; V209-A211 PolarHBondContact O-N 2.78Å; A211-L245 HydrophobicContact CB-CD1 4.37Å; A211-L245 HydrophobicContact CB-CD2 3.94Å; A211-L245 WeakPolarHBondContact O-CD2 3.27Å
212	G	73.4	Confident	87.8	Confident	6 Å²	6	12 Å²	12	6%	0.062	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.6	171.7	0	0	0	0	0	116.2	F210 R663	F210-G212 PolarHBondContact O-N 3.13Å; G212-R663 PolarHBondContact O-NH1 3.3Å; G212-R663 PolarHBondContact O-NH2 2.84Å
213	F	73.4	Confident	87.4	Confident	13 Å²	13	14.2 Å²	14.2	6%	0.057	8%	0.076	C	C	.	.	S	Bend	trans	-73.8	159.3	-176.8	-77.1	-10.6	0	0	0	113.8	Y185 V209 F210 W366 T687	Y185-F213 HydrophobicContact CE2-CB 4.46Å; Y185-F213 PolarHBondContact OH-O 3.22Å; V209-F213 HydrophobicContact CG1-CB 4.39Å; V209-F213 HydrophobicContact CG1-CD2 3.69Å; V209-F213 HydrophobicContact CG1-CE2 4.49Å; F210-F213 HydrophobicContact CB-CD2 4.34Å; F210-F213 HydrophobicContact CB-CE1 4.5Å; F210-F213 HydrophobicContact CB-CE2 4.27Å; F210-F213 HydrophobicContact CB-CG 4.48Å; F210-F213 HydrophobicContact CB-CZ 4.35Å; F210-F213 AromaticContact CD1-CD1 3.88Å; F210-F213 HydrophobicContact CD1-CD1 3.88Å; F210-F213 AromaticContact CD1-CE1 3.89Å; F210-F213 HydrophobicContact CD1-CE1 3.89Å; F210-F213 HydrophobicContact CD1-CG 4.46Å; F210-F213 HydrophobicContact CD1-CZ 4.49Å; F210-F213 WeakPolarHBondContact O-CB 3.36Å; F210-F213 PolarHBondContact O-N 3.43Å; F213-W366 HydrophobicContact CE1-CH2 4.32Å; F213-W366 AromaticContact CZ-CH2 3.95Å; F213-W366 HydrophobicContact CZ-CH2 3.95Å; F213-W366 HydrophobicContact CZ-CZ2 4.48Å; F213-T687 HydrophobicContact CD1-CG2 3.9Å; F213-T687 HydrophobicContact CE1-CG2 3.33Å; F213-T687 HydrophobicContact CZ-CG2 4.06Å
214	S	76.6	Confident	87.1	Confident	36 Å²	36	17.4 Å²	17.4	25%	0.252	9%	0.092	S	C	.	.			trans	-77.8	167.3	178.6	73	0	0	0	0	112.5	E216 S217 L218	S214-E216 PolarHBondContact O-N 3.02Å; S214-E216 PolarHBondContact OG-N 2.83Å; S214-S217 PolarHBondContact O-N 2.92Å; S214-S217 PolarHBondContact OG-N 3.48Å; S214-S217 PolarHBondContact OG-OG 3.39Å; S214-L218 WeakPolarHBondContact O-CB 3.17Å; S214-L218 PolarHBondContact O-N 3.18Å
215	S	83	Confident	86.9	Confident	10 Å²	10	17.3 Å²	17.3	7%	0.07	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-31.5	172.7	53.1	0	0	0	0	112.4	C219 I248 E251 A252 K255	S215-C219 WeakPolarHBondContact O-CB 3.41Å; S215-C219 PolarHBondContact O-N 3.31Å; S215-I248 VanDerWaalsContact CB-O 3.32Å; S215-I248 WeakPolarHBondContact CB-O 3.42Å; S215-E251 PolarHBondContact OG-OE2 2.74Å; S215-E251 VanDerWaalsContact OG-OE2 3.08Å; S215-A252 VanDerWaalsContact O-CB 3.22Å; S215-A252 WeakPolarHBondContact O-CB 3.47Å; S215-K255 PolarHBondContact OG-NZ 3.43Å
216	E	78.5	Confident	86.7	Confident	61 Å²	61	22 Å²	22	29%	0.285	11%	0.113	S	C	.	.	H	α-helix	trans	-65.8	-52.5	174.7	-166.5	63.2	-151.8	0	0	111.6	S214 L218 C219 E220 K255 K259	S214-E216 PolarHBondContact O-N 3.02Å; S214-E216 PolarHBondContact OG-N 2.83Å; E216-L218 VanDerWaalsContact C-N 3.26Å; E216-L218 PolarHBondContact O-N 3.42Å; E216-C219 WeakPolarHBondContact O-CB 3.4Å; E216-C219 PolarHBondContact O-N 3.45Å; E216-E220 WeakPolarHBondContact O-CG 3.28Å; E216-E220 PolarHBondContact O-N 2.98Å; E216-K255 WeakPolarHBondContact OE2-CD 3.46Å; E216-K255 WeakPolarHBondContact OE2-CE 3.5Å; E216-K255 IonicContact OE2-NZ 3.64Å; E216-K255 PolarHBondContact OE2-NZ 2.95Å; E216-K259 IonicContact OE1-NZ 3.86Å; E216-K259 PolarHBondContact OE1-NZ 3.18Å
217	S	77.4	Confident	86.5	Confident	1 Å²	1	22 Å²	22	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-66.2	-31.9	-177.3	-40.9	0	0	0	0	111.8	S214 R221 D684 S686	S214-S217 PolarHBondContact O-N 2.92Å; S214-S217 PolarHBondContact OG-N 3.48Å; S214-S217 PolarHBondContact OG-OG 3.39Å; S217-R221 WeakPolarHBondContact O-CD 3.43Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å; S217-R221 PolarHBondContact O-NH1 2.88Å; S217-D684 PolarHBondContact OG-OD2 3.01Å; S217-S686 PolarHBondContact OG-OG 2.9Å
218	L	85.8	Confident	86.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.9	-48.1	171.9	177.9	58.6	0	0	0	110.9	Y185 V209 S214 E216 E220 R221 I222 A252	Y185-L218 HydrophobicContact CD1-CD2 4Å; Y185-L218 HydrophobicContact CD2-CD1 4.04Å; Y185-L218 HydrophobicContact CD2-CD2 4.19Å; Y185-L218 HydrophobicContact CE1-CD2 4.26Å; Y185-L218 HydrophobicContact CE2-CD2 4.42Å; Y185-L218 HydrophobicContact CG-CD1 4.19Å; Y185-L218 HydrophobicContact CG-CD2 3.97Å; V209-L218 HydrophobicContact CB-CD1 4.03Å; V209-L218 HydrophobicContact CG1-CD1 3.96Å; V209-L218 HydrophobicContact CG2-CD1 4.02Å; S214-L218 WeakPolarHBondContact O-CB 3.17Å; S214-L218 PolarHBondContact O-N 3.18Å; E216-L218 VanDerWaalsContact C-N 3.26Å; E216-L218 PolarHBondContact O-N 3.42Å; L218-E220 PolarHBondContact O-N 3Å; L218-R221 PolarHBondContact O-N 3.47Å; L218-I222 HydrophobicContact CD1-CD1 3.83Å; L218-I222 HydrophobicContact CD1-CG1 4.1Å; L218-I222 HydrophobicContact CD2-CD1 4.5Å; L218-I222 HydrophobicContact CG-CD1 3.78Å; L218-I222 HydrophobicContact CG-CG1 4.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.26Å; L218-I222 PolarHBondContact O-N 3.2Å; L218-A252 HydrophobicContact CB-CB 3.98Å; L218-A252 HydrophobicContact CD2-CB 3.77Å; L218-A252 HydrophobicContact CG-CB 3.82Å
219	C	88.5	Confident	86.3	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-54.5	-50.3	176.5	166.3	0	0	0	0	111.9	S215 E216 R221 I222 M223 A252 K255	S215-C219 WeakPolarHBondContact O-CB 3.41Å; S215-C219 PolarHBondContact O-N 3.31Å; E216-C219 WeakPolarHBondContact O-CB 3.4Å; E216-C219 PolarHBondContact O-N 3.45Å; C219-R221 PolarHBondContact O-N 2.99Å; C219-I222 PolarHBondContact O-N 2.81Å; C219-M223 WeakPolarHBondContact O-CB 3.44Å; C219-M223 VanDerWaalsContact O-CG 3.25Å; C219-M223 WeakPolarHBondContact O-CG 3.37Å; C219-M223 PolarHBondContact O-N 2.61Å; C219-A252 HydrophobicContact CB-CB 4.14Å; C219-K255 HydrophobicContact CB-CB 4.25Å
220	E	83.1	Confident	86.8	Confident	72 Å²	72	22.8 Å²	22.8	34%	0.336	12%	0.119	S	C	.	.	H	α-helix	trans	-57	-38.8	-179.9	-71.9	-178.8	163.1	0	0	112.8	E216 L218 D224	E216-E220 WeakPolarHBondContact O-CG 3.28Å; E216-E220 PolarHBondContact O-N 2.98Å; L218-E220 PolarHBondContact O-N 3Å; E220-D224 WeakPolarHBondContact O-CB 3.13Å; E220-D224 PolarHBondContact O-N 2.91Å
221	R	87.5	Confident	87.5	Confident	17 Å²	17	22.3 Å²	22.3	6%	0.064	12%	0.117	C	C	.	.	H	α-helix	trans	-75.5	-41.3	-179.2	-69.2	169.7	172	62.8	4.1	112.2	V209 S217 L218 C219 M223 D224 A225 Y320	V209-R221 HydrophobicContact CG2-CB 4.14Å; S217-R221 WeakPolarHBondContact O-CD 3.43Å; S217-R221 WeakPolarHBondContact O-CG 3.4Å; S217-R221 PolarHBondContact O-NH1 2.88Å; L218-R221 PolarHBondContact O-N 3.47Å; C219-R221 PolarHBondContact O-N 2.99Å; R221-M223 VanDerWaalsContact C-N 3.29Å; R221-M223 PolarHBondContact O-N 3.15Å; R221-D224 PolarHBondContact O-N 3.09Å; R221-A225 WeakPolarHBondContact O-CB 3.49Å; R221-A225 PolarHBondContact O-N 2.68Å; R221-Y320 HydrophobicContact CB-CD2 3.84Å; R221-Y320 HydrophobicContact CB-CE2 3.98Å; R221-Y320 HydrophobicContact CB-CG 4.28Å; R221-Y320 HydrophobicContact CG-CD1 4.12Å; R221-Y320 HydrophobicContact CG-CD2 3.69Å; R221-Y320 HydrophobicContact CG-CE2 4.24Å; R221-Y320 HydrophobicContact CG-CG 3.62Å
222	I	93.6	Very high	88.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-45.2	173.7	-72	171.5	0	0	0	110	L218 C219 Q226 S227 L230 L253 I264	L218-I222 HydrophobicContact CD1-CD1 3.83Å; L218-I222 HydrophobicContact CD1-CG1 4.1Å; L218-I222 HydrophobicContact CD2-CD1 4.5Å; L218-I222 HydrophobicContact CG-CD1 3.78Å; L218-I222 HydrophobicContact CG-CG1 4.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.26Å; L218-I222 PolarHBondContact O-N 3.2Å; C219-I222 PolarHBondContact O-N 2.81Å; I222-Q226 WeakPolarHBondContact O-CA 3.45Å; I222-Q226 PolarHBondContact O-N 3.4Å; I222-S227 PolarHBondContact O-N 3.36Å; I222-L230 HydrophobicContact CD1-CD1 4.33Å; I222-L230 HydrophobicContact CD1-CD2 4.33Å; I222-L253 HydrophobicContact CD1-CD2 4.21Å; I222-I264 HydrophobicContact CG2-CD1 4.05Å; I222-I264 HydrophobicContact CG2-CG1 3.64Å
223	M	92.1	Very high	89.6	Confident	50 Å²	50	21.7 Å²	21.7	25%	0.246	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-47	-179.6	-71.7	178.1	66.3	0	0	112.2	C219 R221 Q226 S256 K259	C219-M223 WeakPolarHBondContact O-CB 3.44Å; C219-M223 VanDerWaalsContact O-CG 3.25Å; C219-M223 WeakPolarHBondContact O-CG 3.37Å; C219-M223 PolarHBondContact O-N 2.61Å; R221-M223 VanDerWaalsContact C-N 3.29Å; R221-M223 PolarHBondContact O-N 3.15Å; M223-Q226 WeakPolarHBondContact O-CG 3.2Å; M223-Q226 PolarHBondContact O-N 2.82Å; M223-S256 WeakPolarHBondContact CG-OG 3.18Å; M223-K259 HydrophobicContact CE-CB 3.65Å; M223-K259 HydrophobicContact CE-CD 4.06Å; M223-K259 HydrophobicContact SD-CB 4.04Å; M223-K259 HydrophobicContact SD-CD 3.7Å
224	D	91.6	Very high	90.6	Very high	71 Å²	71	21.1 Å²	21.1	38%	0.38	11%	0.109	S	C	.	.	H	α-helix	trans	-67.7	-40.3	-178.8	-171.2	91.9	0	0	0	111.6	E220 R221 Q226 Y320 Y535	E220-D224 WeakPolarHBondContact O-CB 3.13Å; E220-D224 PolarHBondContact O-N 2.91Å; R221-D224 PolarHBondContact O-N 3.09Å; D224-Q226 PolarHBondContact O-N 3.04Å; D224-Y320 VanDerWaalsContact C-OH 3.27Å; D224-Y320 HydrophobicContact CB-CE1 3.99Å; D224-Y320 WeakPolarHBondContact CB-OH 3.42Å; D224-Y320 WeakPolarHBondContact OD2-CE1 3.32Å; D224-Y320 VanDerWaalsContact OD2-CZ 3.29Å; D224-Y320 PolarHBondContact OD2-OH 2.73Å; D224-Y535 VanDerWaalsContact O-CE1 3.3Å; D224-Y535 WeakPolarHBondContact O-CE1 3.43Å
225	A	93.8	Very high	91.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.3	-17.3	176.3	0	0	0	0	0	112.6	R181 R221 S227 Y320	R181-A225 HydrophobicContact CB-CB 4.38Å; R181-A225 WeakPolarHBondContact CB-O 3.42Å; R181-A225 HydrophobicContact CG-CB 4.37Å; R181-A225 WeakPolarHBondContact CG-O 3.07Å; R181-A225 PolarHBondContact NE-O 3.02Å; R221-A225 WeakPolarHBondContact O-CB 3.49Å; R221-A225 PolarHBondContact O-N 2.68Å; A225-S227 PolarHBondContact O-N 2.77Å; A225-Y320 WeakPolarHBondContact CA-OH 3.49Å; A225-Y320 HydrophobicContact CB-CE2 4.1Å; A225-Y320 WeakPolarHBondContact CB-OH 3.29Å; A225-Y320 PolarHBondContact N-OH 3.32Å
226	Q	94.4	Very high	91.8	Very high	101 Å²	101	19.3 Å²	19.3	47%	0.472	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	47.4	-172	-54.3	174.5	-56	0	0	111	R181 I222 M223 D224	R181-Q226 PolarHBondContact NH2-O 3.28Å; I222-Q226 WeakPolarHBondContact O-CA 3.45Å; I222-Q226 PolarHBondContact O-N 3.4Å; M223-Q226 WeakPolarHBondContact O-CG 3.2Å; M223-Q226 PolarHBondContact O-N 2.82Å; D224-Q226 PolarHBondContact O-N 3.04Å
227	S	95.5	Very high	92.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.			trans	-66.1	140.8	-176	-62.3	0	0	0	0	111.5	R181 S183 I222 A225 S263 I264	R181-S227 CarbonylContact O-C 3.58Å; R181-S227 VanDerWaalsContact O-CA 3.27Å; R181-S227 WeakPolarHBondContact O-CA 3.25Å; S183-S227 WeakPolarHBondContact OG-CB 3.26Å; S183-S227 PolarHBondContact OG-OG 3.25Å; I222-S227 PolarHBondContact O-N 3.36Å; A225-S227 PolarHBondContact O-N 2.77Å; S227-S263 CarbonylContact O-C 3.56Å; S227-S263 WeakPolarHBondContact O-CB 3.25Å; S227-S263 PolarHBondContact O-OG 3.4Å; S227-I264 VanDerWaalsContact O-CD1 3.24Å; S227-I264 WeakPolarHBondContact O-CD1 3.27Å; S227-I264 PolarHBondContact O-N 3.02Å
228	S	94.9	Very high	92.7	Very high	24 Å²	24	23.3 Å²	23.3	17%	0.168	11%	0.109	C	C	.	.	S	Bend	trans	-93.9	-28	178.4	57.2	0	0	0	0	113.2	R181 S263 I264 T265	R181-S228 PolarHBondContact O-N 3.05Å; R181-S228 PolarHBondContact O-OG 3.48Å; S228-S263 WeakPolarHBondContact CA-O 3.34Å; S228-I264 WeakPolarHBondContact O-CA 3.34Å; S228-T265 PolarHBondContact O-N 2.96Å; S228-T265 PolarHBondContact O-OG1 3.01Å
229	V	98.3	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.8	177.9	176.7	0	0	0	0	110.2	L171 M174 V176 V182 S183 V231 I264 K266	L171-V229 HydrophobicContact CD2-CG1 4.19Å; M174-V229 HydrophobicContact CB-CG2 4.25Å; M174-V229 HydrophobicContact SD-CG1 4.21Å; V176-V229 HydrophobicContact CG2-CB 4.19Å; V176-V229 HydrophobicContact CG2-CG2 3.47Å; V176-V229 VanDerWaalsContact CG2-CG2 3.47Å; V182-V229 HydrophobicContact CG1-CB 4.34Å; V182-V229 HydrophobicContact CG1-CG1 4.41Å; S183-V229 PolarHBondContact N-O 3.41Å; V229-V231 HydrophobicContact CG1-CG2 4.25Å; V229-I264 VanDerWaalsContact C-CD1 3.49Å; V229-K266 WeakPolarHBondContact CA-O 3.25Å; V229-K266 HydrophobicContact CG2-CB 4.32Å
230	L	98.6	Very high	92.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.2	168	177.3	61.5	0	0	0	108.9	S183 I222 L253 I264 K266 C267 L268	S183-L230 CarbonylContact O-C 3.57Å; S183-L230 WeakPolarHBondContact O-CA 3.27Å; I222-L230 HydrophobicContact CD1-CD1 4.33Å; I222-L230 HydrophobicContact CD1-CD2 4.33Å; L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CD2-CD2 4.31Å; L230-L253 HydrophobicContact CD2-CG 4.36Å; L230-I264 HydrophobicContact CB-CD1 4.04Å; L230-I264 HydrophobicContact CB-CG2 4.32Å; L230-K266 PolarHBondContact N-O 2.91Å; L230-K266 VanDerWaalsContact N-O 3.09Å; L230-C267 CarbonylContact O-C 2.94Å; L230-C267 VanDerWaalsContact O-CA 3.23Å; L230-C267 WeakPolarHBondContact O-CA 3.32Å; L230-L268 PolarHBondContact O-N 2.94Å
231	V	98.8	Very high	92.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.3	169.1	-171	0	0	0	0	108.2	L171 V182 S183 Y185 L186 T195 V229 L268 I270 W294	L171-V231 HydrophobicContact CD2-CG2 4.44Å; V182-V231 HydrophobicContact CG1-CG2 3.98Å; S183-V231 PolarHBondContact O-N 3.11Å; Y185-V231 PolarHBondContact N-O 3.03Å; L186-V231 HydrophobicContact CD1-CG1 3.93Å; L186-V231 HydrophobicContact CD2-CG1 4.44Å; L186-V231 HydrophobicContact CG-CG1 4.42Å; T195-V231 HydrophobicContact CG2-CB 4.12Å; T195-V231 HydrophobicContact CG2-CG1 4.23Å; T195-V231 HydrophobicContact CG2-CG2 3.77Å; V229-V231 HydrophobicContact CG1-CG2 4.25Å; V231-L268 WeakPolarHBondContact CA-O 3.28Å; V231-L268 HydrophobicContact CG1-CB 4.3Å; V231-L268 HydrophobicContact CG1-CD2 4.43Å; V231-L268 HydrophobicContact CG2-CB 4.26Å; V231-I270 HydrophobicContact CG1-CD1 4.17Å; V231-W294 HydrophobicContact CG1-CE3 4.29Å; V231-W294 HydrophobicContact CG1-CZ3 4.04Å
232	T	98.6	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	174.4	-174.9	-165.2	0	0	0	0	111	Y185 L186 K246 S249 L268 V269 I270	Y185-T232 PolarHBondContact O-OG1 2.91Å; L186-T232 VanDerWaalsContact CD2-CA 3.45Å; L186-T232 WeakPolarHBondContact CD2-O 3.18Å; T232-K246 HydrophobicContact CG2-CD 4.03Å; T232-S249 PolarHBondContact OG1-OG 3.24Å; T232-L268 PolarHBondContact N-O 2.8Å; T232-V269 HydrophobicContact CG2-CG1 4.4Å; T232-V269 HydrophobicContact CG2-CG2 4.17Å; T232-V269 CarbonylContact O-C 3.56Å; T232-V269 VanDerWaalsContact O-CA 3.31Å; T232-V269 WeakPolarHBondContact O-CA 3.33Å; T232-I270 PolarHBondContact O-N 2.94Å
233	A	97.6	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	163.7	173.1	0	0	0	0	0	110.2	L186 L245 K246 I270	L186-A233 HydrophobicContact CD2-CB 4.07Å; A233-L245 HydrophobicContact CB-CD1 4.09Å; A233-L245 WeakPolarHBondContact O-CB 3.46Å; A233-K246 PolarHBondContact O-N 3.34Å; A233-K246 VanDerWaalsContact O-N 3.1Å; A233-I270 CarbonylContact C-O 3.44Å; A233-I270 WeakPolarHBondContact CA-O 3.14Å; A233-I270 HydrophobicContact CB-CB 4.22Å
234	D	94.8	Very high	92.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-62.1	-49.2	172.1	57.5	-0	0	0	0	111.3	N244 L245 K246 I270 H272 R276 L282 T284 W293	D234-N244 PolarHBondContact O-OD1 2.94Å; D234-L245 PolarHBondContact O-N 3.35Å; D234-K246 PolarHBondContact O-N 2.91Å; D234-I270 PolarHBondContact N-O 3.29Å; D234-H272 VanDerWaalsContact OD1-CB 3.28Å; D234-H272 WeakPolarHBondContact OD1-CB 3.38Å; D234-H272 PolarHBondContact OD1-N 3.34Å; D234-R276 IonicContact OD2-CZ 2.81Å; D234-R276 VanDerWaalsContact OD2-CZ 3.26Å; D234-R276 IonicContact OD2-NE 3.66Å; D234-R276 PolarHBondContact OD2-NE 3.12Å; D234-R276 IonicContact OD2-NH2 2.79Å; D234-R276 PolarHBondContact OD2-NH2 2.85Å; D234-L282 HydrophobicContact CB-CD2 3.88Å; D234-T284 HydrophobicContact CB-CG2 4.13Å; D234-W293 HydrophobicContact CB-CH2 4.44Å; D234-W293 HydrophobicContact CB-CZ3 4.46Å
235	G	92.8	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.			trans	-166.4	-179.3	173.6	0	0	0	0	0	113.4	I243 H272	G235-I243 CarbonylContact C-O 3.2Å; G235-I243 WeakPolarHBondContact CA-O 3.29Å; G235-H272 WeakPolarHBondContact O-CB 3.45Å
236	V	92.8	Very high	92.9	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.3	175	64.4	0	0	0	0	111.1	P187 I243 L245 E388	P187-V236 HydrophobicContact CB-CB 3.82Å; P187-V236 HydrophobicContact CB-CG1 4.15Å; P187-V236 HydrophobicContact CB-CG2 3.54Å; P187-V236 HydrophobicContact CG-CB 4.03Å; P187-V236 HydrophobicContact CG-CG2 4.05Å; V236-I243 HydrophobicContact CG1-CB 4Å; V236-I243 HydrophobicContact CG1-CD1 4.39Å; V236-I243 PolarHBondContact N-O 2.92Å; V236-I243 PolarHBondContact O-N 2.87Å; V236-L245 HydrophobicContact CB-CD1 4.13Å; V236-L245 HydrophobicContact CG1-CD1 3.76Å; V236-L245 HydrophobicContact CG1-CD2 4.38Å; V236-L245 HydrophobicContact CG1-CG 4.1Å; V236-E388 VanDerWaalsContact CG2-OE1 3.26Å; V236-E388 WeakPolarHBondContact CG2-OE1 3.27Å
237	Y	90.8	Very high	92.9	Very high	52 Å²	52	30 Å²	30	20%	0.204	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	163	-80.2	-79.7	0	0	0	110.6	N147 K241 L242 V275	N147-Y237 WeakPolarHBondContact CB-O 3.35Å; N147-Y237 VanDerWaalsContact CG-O 3.32Å; N147-Y237 PolarHBondContact OD1-O 3.1Å; Y237-K241 WeakPolarHBondContact CA-O 3.36Å; Y237-L242 HydrophobicContact CD1-CB 4.12Å; Y237-L242 HydrophobicContact CD2-CD1 4.27Å; Y237-L242 HydrophobicContact CE1-CB 3.68Å; Y237-L242 HydrophobicContact CE1-CD1 4.23Å; Y237-L242 HydrophobicContact CE1-CG 4.46Å; Y237-L242 HydrophobicContact CE2-CD1 3.95Å; Y237-V275 HydrophobicContact CD2-CB 4.36Å; Y237-V275 HydrophobicContact CD2-CG1 4.5Å; Y237-V275 HydrophobicContact CD2-CG2 3.78Å; Y237-V275 HydrophobicContact CE2-CB 4.34Å; Y237-V275 HydrophobicContact CE2-CG1 4.11Å; Y237-V275 HydrophobicContact CE2-CG2 4.21Å
238	R	82.9	Confident	92.7	Very high	94 Å²	94	31.5 Å²	31.5	36%	0.355	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.7	169.4	-171.9	175.7	-175.8	-110.3	3.7	109.2	D240 K241 I243 I390	R238-D240 PolarHBondContact O-N 3.09Å; R238-K241 PolarHBondContact N-O 2.88Å; R238-K241 PolarHBondContact O-N 3.19Å; R238-I243 HydrophobicContact CB-CD1 4.32Å; R238-I390 HydrophobicContact CG-CG2 3.81Å
239	G	89.1	Confident	92.8	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-131.2	-158.1	0	0	0	0	0	109.2	N147 K241	N147-G239 PolarHBondContact ND2-O 3Å; N147-G239 WeakPolarHBondContact OD1-CA 3.41Å; N147-G239 PolarHBondContact OD1-N 2.85Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.31Å
240	D	87.9	Confident	92.7	Very high	135 Å²	135	31.5 Å²	31.5	72%	0.722	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.6	177.1	-56	-62.6	0	0	0	114	R238 L242 H393	R238-D240 PolarHBondContact O-N 3.09Å; D240-L242 PolarHBondContact O-N 2.96Å; D240-H393 IonicContact OD1-CE1 3.96Å; D240-H393 PolarHBondContact OD1-CE1 3Å; D240-H393 IonicContact OD1-ND1 3.16Å; D240-H393 IonicContact OD2-ND1 3.01Å
241	K	84.8	Confident	92.5	Very high	120 Å²	120	35 Å²	35	52%	0.522	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.9	-171.6	-174.9	-179.8	177.4	-178.1	0	111.3	Y237 R238 G239 I243	Y237-K241 WeakPolarHBondContact CA-O 3.36Å; R238-K241 PolarHBondContact N-O 2.88Å; R238-K241 PolarHBondContact O-N 3.19Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.31Å; K241-I243 HydrophobicContact CG-CG1 4.48Å
242	L	89.6	Confident	92.2	Very high	61 Å²	61	35 Å²	35	32%	0.319	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132	167.3	-176.6	60.7	0	0	0	111	Y237 D240 V275 L282	Y237-L242 HydrophobicContact CD1-CB 4.12Å; Y237-L242 HydrophobicContact CD2-CD1 4.27Å; Y237-L242 HydrophobicContact CE1-CB 3.68Å; Y237-L242 HydrophobicContact CE1-CD1 4.23Å; Y237-L242 HydrophobicContact CE1-CG 4.46Å; Y237-L242 HydrophobicContact CE2-CD1 3.95Å; D240-L242 PolarHBondContact O-N 2.96Å; L242-V275 HydrophobicContact CD1-CG1 3.7Å; L242-V275 HydrophobicContact CD1-CG2 4.4Å; L242-L282 HydrophobicContact CD1-CD1 4.43Å; L242-L282 HydrophobicContact CD2-CD1 4.24Å
243	I	86.3	Confident	92	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.097	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.2	173.7	-55.5	175.5	0	0	0	107.8	G235 V236 R238 K241 L245 I248	G235-I243 CarbonylContact C-O 3.2Å; G235-I243 WeakPolarHBondContact CA-O 3.29Å; V236-I243 HydrophobicContact CG1-CB 4Å; V236-I243 HydrophobicContact CG1-CD1 4.39Å; V236-I243 PolarHBondContact N-O 2.92Å; V236-I243 PolarHBondContact O-N 2.87Å; R238-I243 HydrophobicContact CB-CD1 4.32Å; K241-I243 HydrophobicContact CG-CG1 4.48Å; I243-L245 HydrophobicContact CG2-CD2 3.7Å; I243-L245 HydrophobicContact CG2-CG 4.31Å; I243-L245 PolarHBondContact O-N 2.86Å; I243-I248 HydrophobicContact CG2-CD1 3.9Å
244	N	92.6	Very high	91.9	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.15	19%	0.19	C	C	.	.			trans	-86.6	91.2	176.6	-169.7	-18.6	0	0	0	109.8	D234 Q247 I248 L282 Q283	D234-N244 PolarHBondContact O-OD1 2.94Å; N244-Q247 HydrophobicContact CB-CB 4.03Å; N244-Q247 PolarHBondContact ND2-OE1 3.39Å; N244-Q247 WeakPolarHBondContact OD1-CB 3.4Å; N244-Q247 PolarHBondContact OD1-N 3.47Å; N244-Q247 VanDerWaalsContact OD1-N 3.09Å; N244-I248 WeakPolarHBondContact O-CG1 3.42Å; N244-I248 PolarHBondContact O-N 3.17Å; N244-L282 HydrophobicContact CB-CD1 4.01Å; N244-Q283 PolarHBondContact ND2-O 2.8Å
245	L	94.6	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.9	-37.2	-173.4	-65.7	175.8	0	0	0	111.7	Y185 P187 A211 A233 D234 V236 I243 I248 S249	Y185-L245 HydrophobicContact CD1-CB 4.42Å; Y185-L245 HydrophobicContact CD1-CD2 4.23Å; Y185-L245 HydrophobicContact CE1-CB 4.12Å; Y185-L245 HydrophobicContact CE1-CD2 3.46Å; Y185-L245 VanDerWaalsContact CE1-CD2 3.46Å; Y185-L245 HydrophobicContact CE1-CG 4.35Å; P187-L245 HydrophobicContact CG-CD1 4.19Å; A211-L245 HydrophobicContact CB-CD1 4.37Å; A211-L245 HydrophobicContact CB-CD2 3.94Å; A211-L245 WeakPolarHBondContact O-CD2 3.27Å; A233-L245 HydrophobicContact CB-CD1 4.09Å; A233-L245 WeakPolarHBondContact O-CB 3.46Å; D234-L245 PolarHBondContact O-N 3.35Å; V236-L245 HydrophobicContact CB-CD1 4.13Å; V236-L245 HydrophobicContact CG1-CD1 3.76Å; V236-L245 HydrophobicContact CG1-CD2 4.38Å; V236-L245 HydrophobicContact CG1-CG 4.1Å; I243-L245 HydrophobicContact CG2-CD2 3.7Å; I243-L245 HydrophobicContact CG2-CG 4.31Å; I243-L245 PolarHBondContact O-N 2.86Å; L245-I248 PolarHBondContact O-N 2.92Å; L245-S249 WeakPolarHBondContact O-CB 3.43Å; L245-S249 PolarHBondContact O-N 2.85Å; L245-S249 PolarHBondContact O-OG 2.65Å
246	K	96.3	Very high	91.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177.5	-177.7	58.5	165.8	62.9	0	112.1	T232 A233 D234 I248 S249 D250 V269 T284 P285 D291	T232-K246 HydrophobicContact CG2-CD 4.03Å; A233-K246 PolarHBondContact O-N 3.34Å; A233-K246 VanDerWaalsContact O-N 3.1Å; D234-K246 PolarHBondContact O-N 2.91Å; K246-I248 PolarHBondContact O-N 3.49Å; K246-S249 WeakPolarHBondContact O-CB 3.42Å; K246-S249 PolarHBondContact O-N 2.82Å; K246-D250 IonicContact NZ-OD1 3.93Å; K246-D250 PolarHBondContact NZ-OD1 3.44Å; K246-D250 IonicContact NZ-OD2 3.49Å; K246-D250 PolarHBondContact NZ-OD2 3.01Å; K246-D250 PolarHBondContact O-N 2.75Å; K246-V269 HydrophobicContact CD-CG1 4.26Å; K246-V269 HydrophobicContact CD-CG2 3.96Å; K246-T284 HydrophobicContact CB-CG2 4.05Å; K246-T284 HydrophobicContact CG-CG2 3.69Å; K246-P285 PolarHBondContact NZ-O 2.7Å; K246-D291 VanDerWaalsContact CE-OD2 3.28Å; K246-D291 WeakPolarHBondContact CE-OD2 3.19Å; K246-D291 IonicContact NZ-OD1 3.62Å; K246-D291 IonicContact NZ-OD2 2.81Å; K246-D291 PolarHBondContact NZ-OD2 2.83Å
247	Q	94	Very high	91.4	Very high	84 Å²	84	47.9 Å²	47.9	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-59.9	-45.9	174.6	-179	-178	-9.7	0	0	111.8	N244 S249 D250 E251	N244-Q247 HydrophobicContact CB-CB 4.03Å; N244-Q247 PolarHBondContact ND2-OE1 3.39Å; N244-Q247 WeakPolarHBondContact OD1-CB 3.4Å; N244-Q247 PolarHBondContact OD1-N 3.47Å; N244-Q247 VanDerWaalsContact OD1-N 3.09Å; Q247-S249 VanDerWaalsContact C-N 3.25Å; Q247-S249 PolarHBondContact O-N 3.09Å; Q247-D250 PolarHBondContact O-N 2.76Å; Q247-E251 PolarHBondContact NE2-OE1 3.31Å; Q247-E251 WeakPolarHBondContact O-CG 3.4Å; Q247-E251 PolarHBondContact O-N 2.81Å
248	I	90.9	Very high	91.4	Very high	33 Å²	33	52.4 Å²	52.4	17%	0.169	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-39	176.6	-67.8	166.5	0	0	0	111	Y185 S215 I243 N244 L245 K246 A252	Y185-I248 HydrophobicContact CE1-CB 4.38Å; Y185-I248 HydrophobicContact CE1-CG2 4.08Å; S215-I248 VanDerWaalsContact CB-O 3.32Å; S215-I248 WeakPolarHBondContact CB-O 3.42Å; I243-I248 HydrophobicContact CG2-CD1 3.9Å; N244-I248 WeakPolarHBondContact O-CG1 3.42Å; N244-I248 PolarHBondContact O-N 3.17Å; L245-I248 PolarHBondContact O-N 2.92Å; K246-I248 PolarHBondContact O-N 3.49Å; I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 2.87Å
249	S	96.6	Very high	91.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-46.8	177.6	-58	0	0	0	0	111.2	T232 L245 K246 Q247 E251 A252 L253	T232-S249 PolarHBondContact OG1-OG 3.24Å; L245-S249 WeakPolarHBondContact O-CB 3.43Å; L245-S249 PolarHBondContact O-N 2.85Å; L245-S249 PolarHBondContact O-OG 2.65Å; K246-S249 WeakPolarHBondContact O-CB 3.42Å; K246-S249 PolarHBondContact O-N 2.82Å; Q247-S249 VanDerWaalsContact C-N 3.25Å; Q247-S249 PolarHBondContact O-N 3.09Å; S249-E251 PolarHBondContact O-N 3.06Å; S249-A252 WeakPolarHBondContact O-CB 2.81Å; S249-A252 PolarHBondContact O-N 3.21Å; S249-A252 VanDerWaalsContact O-N 3.15Å; S249-L253 VanDerWaalsContact O-CG 3.31Å; S249-L253 WeakPolarHBondContact O-CG 3.35Å; S249-L253 PolarHBondContact O-N 3.27Å
250	D	95.9	Very high	91.2	Very high	24 Å²	24	56 Å²	56	13%	0.128	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-44.3	178.7	-72.7	-25.9	0	0	0	112.5	K246 Q247 A252 L253 E254 P285 R290	K246-D250 IonicContact NZ-OD1 3.93Å; K246-D250 PolarHBondContact NZ-OD1 3.44Å; K246-D250 IonicContact NZ-OD2 3.49Å; K246-D250 PolarHBondContact NZ-OD2 3.01Å; K246-D250 PolarHBondContact O-N 2.75Å; Q247-D250 PolarHBondContact O-N 2.76Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 3.16Å; D250-L253 PolarHBondContact O-N 3.18Å; D250-E254 PolarHBondContact O-N 2.86Å; D250-P285 VanDerWaalsContact OD2-CB 3.29Å; D250-P285 WeakPolarHBondContact OD2-CB 3.19Å; D250-R290 IonicContact OD1-CZ 3.38Å; D250-R290 IonicContact OD1-NH2 2.85Å; D250-R290 PolarHBondContact OD1-NH2 3.44Å
251	E	94	Very high	90.6	Very high	73 Å²	73	50.9 Å²	50.9	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-38.4	173.7	-71.5	174.5	-164.6	0	0	111.8	S215 Q247 S249 K255	S215-E251 PolarHBondContact OG-OE2 2.74Å; S215-E251 VanDerWaalsContact OG-OE2 3.08Å; Q247-E251 PolarHBondContact NE2-OE1 3.31Å; Q247-E251 WeakPolarHBondContact O-CG 3.4Å; Q247-E251 PolarHBondContact O-N 2.81Å; S249-E251 PolarHBondContact O-N 3.06Å; E251-K255 VanDerWaalsContact O-CG 3.25Å; E251-K255 WeakPolarHBondContact O-CG 3.12Å; E251-K255 PolarHBondContact O-N 3.43Å; E251-K255 VanDerWaalsContact O-N 3.09Å
252	A	92.5	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-41.3	177.6	0	0	0	0	0	112	S215 L218 C219 I248 S249 D250 S256	S215-A252 VanDerWaalsContact O-CB 3.22Å; S215-A252 WeakPolarHBondContact O-CB 3.47Å; L218-A252 HydrophobicContact CB-CB 3.98Å; L218-A252 HydrophobicContact CD2-CB 3.77Å; L218-A252 HydrophobicContact CG-CB 3.82Å; C219-A252 HydrophobicContact CB-CB 4.14Å; I248-A252 WeakPolarHBondContact O-CB 3.49Å; I248-A252 PolarHBondContact O-N 2.87Å; S249-A252 WeakPolarHBondContact O-CB 2.81Å; S249-A252 PolarHBondContact O-N 3.21Å; S249-A252 VanDerWaalsContact O-N 3.15Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 3.16Å; A252-S256 WeakPolarHBondContact O-CB 3.23Å; A252-S256 PolarHBondContact O-N 3.12Å
253	L	95.3	Very high	90	Very high	5 Å²	5	48 Å²	48	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-38.7	177.8	-65.6	178	0	0	0	111.7	I222 L230 S249 D250 S256 R257 I264	I222-L253 HydrophobicContact CD1-CD2 4.21Å; L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CD2-CD2 4.31Å; L230-L253 HydrophobicContact CD2-CG 4.36Å; S249-L253 VanDerWaalsContact O-CG 3.31Å; S249-L253 WeakPolarHBondContact O-CG 3.35Å; S249-L253 PolarHBondContact O-N 3.27Å; D250-L253 PolarHBondContact O-N 3.18Å; L253-S256 WeakPolarHBondContact O-CB 3.27Å; L253-S256 PolarHBondContact O-N 2.89Å; L253-R257 WeakPolarHBondContact O-CG 3.5Å; L253-R257 PolarHBondContact O-N 3.28Å; L253-I264 HydrophobicContact CD1-CG2 4.5Å; L253-I264 HydrophobicContact CD2-CB 3.83Å; L253-I264 HydrophobicContact CD2-CG1 3.69Å; L253-I264 HydrophobicContact CD2-CG2 3.92Å
254	E	94.4	Very high	90.4	Very high	102 Å²	102	47.9 Å²	47.9	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-61.4	-50.3	173.9	-173.6	171.5	-155.3	0	0	111.6	D250 S256 R257 E258	D250-E254 PolarHBondContact O-N 2.86Å; E254-S256 VanDerWaalsContact C-N 3.27Å; E254-S256 PolarHBondContact O-N 3.47Å; E254-R257 WeakPolarHBondContact O-CB 3.32Å; E254-R257 PolarHBondContact O-N 3.33Å; E254-E258 WeakPolarHBondContact O-CG 3.25Å; E254-E258 PolarHBondContact O-N 2.82Å
255	K	90.1	Very high	90.5	Very high	54 Å²	54	50.5 Å²	50.5	24%	0.235	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-38.4	175.1	-72.5	170.6	173.6	-167.4	0	113	S215 E216 C219 E251 R257 E258 K259	S215-K255 PolarHBondContact OG-NZ 3.43Å; E216-K255 WeakPolarHBondContact OE2-CD 3.46Å; E216-K255 WeakPolarHBondContact OE2-CE 3.5Å; E216-K255 IonicContact OE2-NZ 3.64Å; E216-K255 PolarHBondContact OE2-NZ 2.95Å; C219-K255 HydrophobicContact CB-CB 4.25Å; E251-K255 VanDerWaalsContact O-CG 3.25Å; E251-K255 WeakPolarHBondContact O-CG 3.12Å; E251-K255 PolarHBondContact O-N 3.43Å; E251-K255 VanDerWaalsContact O-N 3.09Å; K255-R257 VanDerWaalsContact C-N 3.35Å; K255-E258 PolarHBondContact O-N 3.4Å; K255-K259 WeakPolarHBondContact O-CB 3.38Å; K255-K259 VanDerWaalsContact O-CG 3.31Å; K255-K259 WeakPolarHBondContact O-CG 3.4Å; K255-K259 PolarHBondContact O-N 3.11Å
256	S	90.3	Very high	90.6	Very high	4 Å²	4	53 Å²	53	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-46.6	175.9	-168.8	0	0	0	0	110.5	M223 A252 L253 E254 K259 G260 S261	M223-S256 WeakPolarHBondContact CG-OG 3.18Å; A252-S256 WeakPolarHBondContact O-CB 3.23Å; A252-S256 PolarHBondContact O-N 3.12Å; L253-S256 WeakPolarHBondContact O-CB 3.27Å; L253-S256 PolarHBondContact O-N 2.89Å; E254-S256 VanDerWaalsContact C-N 3.27Å; E254-S256 PolarHBondContact O-N 3.47Å; S256-K259 CarbonylContact O-C 3.38Å; S256-K259 PolarHBondContact O-N 2.94Å; S256-G260 PolarHBondContact O-N 3.22Å; S256-S261 CarbonylContact C-O 3.56Å; S256-S261 WeakPolarHBondContact CB-O 3.5Å; S256-S261 CarbonylContact O-C 3.52Å; S256-S261 PolarHBondContact O-N 3Å; S256-S261 PolarHBondContact OG-O 2.86Å
257	R	89.9	Confident	90.7	Very high	114 Å²	114	53 Å²	53	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-44.9	176.5	-70.3	-173.1	-63.2	-96.7	2	112.1	L253 E254 K255 K259 G260 S261	L253-R257 WeakPolarHBondContact O-CG 3.5Å; L253-R257 PolarHBondContact O-N 3.28Å; E254-R257 WeakPolarHBondContact O-CB 3.32Å; E254-R257 PolarHBondContact O-N 3.33Å; K255-R257 VanDerWaalsContact C-N 3.35Å; R257-K259 VanDerWaalsContact C-N 3.25Å; R257-K259 PolarHBondContact O-N 2.88Å; R257-G260 PolarHBondContact O-N 3.34Å; R257-S261 PolarHBondContact N-O 2.94Å
258	E	91	Very high	90.9	Very high	148 Å²	148	49 Å²	49	69%	0.692	26%	0.264	S	S	*	.	H	α-helix	trans	-59.6	-35.9	176.9	-70.2	178.2	163.6	0	0	112.6	E254 K255 G260	E254-E258 WeakPolarHBondContact O-CG 3.25Å; E254-E258 PolarHBondContact O-N 2.82Å; K255-E258 PolarHBondContact O-N 3.4Å; E258-G260 PolarHBondContact O-N 2.62Å
259	K	86.1	Confident	91.2	Very high	101 Å²	101	47.4 Å²	47.4	44%	0.439	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	7.5	176.1	-67	174.2	-177.7	176.9	0	113.6	E216 M223 K255 S256 R257	E216-K259 IonicContact OE1-NZ 3.86Å; E216-K259 PolarHBondContact OE1-NZ 3.18Å; M223-K259 HydrophobicContact CE-CB 3.65Å; M223-K259 HydrophobicContact CE-CD 4.06Å; M223-K259 HydrophobicContact SD-CB 4.04Å; M223-K259 HydrophobicContact SD-CD 3.7Å; K255-K259 WeakPolarHBondContact O-CB 3.38Å; K255-K259 VanDerWaalsContact O-CG 3.31Å; K255-K259 WeakPolarHBondContact O-CG 3.4Å; K255-K259 PolarHBondContact O-N 3.11Å; S256-K259 CarbonylContact O-C 3.38Å; S256-K259 PolarHBondContact O-N 2.94Å; R257-K259 VanDerWaalsContact C-N 3.25Å; R257-K259 PolarHBondContact O-N 2.88Å
260	G	81.9	Confident	91.3	Very high	72 Å²	72	47.5 Å²	47.5	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	17	176.9	0	0	0	0	0	114.8	S256 R257 E258	S256-G260 PolarHBondContact O-N 3.22Å; R257-G260 PolarHBondContact O-N 3.34Å; E258-G260 PolarHBondContact O-N 2.62Å
261	S	76.1	Confident	91.2	Very high	27 Å²	27	49.6 Å²	49.6	19%	0.189	27%	0.265	C	S	.	.			trans	-117.3	112.3	175.3	-176.4	0	0	0	0	110.4	S256 R257	S256-S261 CarbonylContact C-O 3.56Å; S256-S261 WeakPolarHBondContact CB-O 3.5Å; S256-S261 CarbonylContact O-C 3.52Å; S256-S261 PolarHBondContact O-N 3Å; S256-S261 PolarHBondContact OG-O 2.86Å; R257-S261 PolarHBondContact N-O 2.94Å
262	S	73.3	Confident	91.1	Very high	87 Å²	87	46.6 Å²	46.6	61%	0.608	25%	0.251	S	S	*	.			trans	-127.5	60	176.7	-170.6	0	0	0	0	110.3
263	S	88.3	Confident	90.5	Very high	32 Å²	32	54.4 Å²	54.4	22%	0.224	29%	0.287	C	S	.	.			trans	-77.2	-26.7	-179	59.1	0	0	0	0	113.2	S227 S228 T265	S227-S263 CarbonylContact O-C 3.56Å; S227-S263 WeakPolarHBondContact O-CB 3.25Å; S227-S263 PolarHBondContact O-OG 3.4Å; S228-S263 WeakPolarHBondContact CA-O 3.34Å; S263-T265 PolarHBondContact O-N 3.27Å
264	I	94.3	Very high	89.5	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.087	29%	0.289	C	S	.	.			trans	-73.8	117.6	-179.9	-61.7	-72.2	0	0	0	110	I222 S227 S228 V229 L230 L253 K266	I222-I264 HydrophobicContact CG2-CD1 4.05Å; I222-I264 HydrophobicContact CG2-CG1 3.64Å; S227-I264 VanDerWaalsContact O-CD1 3.24Å; S227-I264 WeakPolarHBondContact O-CD1 3.27Å; S227-I264 PolarHBondContact O-N 3.02Å; S228-I264 WeakPolarHBondContact O-CA 3.34Å; V229-I264 VanDerWaalsContact C-CD1 3.49Å; L230-I264 HydrophobicContact CB-CD1 4.04Å; L230-I264 HydrophobicContact CB-CG2 4.32Å; L253-I264 HydrophobicContact CD1-CG2 4.5Å; L253-I264 HydrophobicContact CD2-CB 3.83Å; L253-I264 HydrophobicContact CD2-CG1 3.69Å; L253-I264 HydrophobicContact CD2-CG2 3.92Å; I264-K266 WeakPolarHBondContact CG2-O 3.33Å
265	T	94	Very high	88.8	Confident	84 Å²	84	49.6 Å²	49.6	52%	0.515	27%	0.267	S	S	.	.			trans	-100.3	-29.9	176.8	57.8	0	0	0	0	112.4	S228 S263	S228-T265 PolarHBondContact O-N 2.96Å; S228-T265 PolarHBondContact O-OG1 3.01Å; S263-T265 PolarHBondContact O-N 3.27Å
266	K	96.9	Very high	88.2	Confident	51 Å²	51	51.7 Å²	51.7	22%	0.222	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.3	-178.6	-68.4	-65.8	-174.9	169	0	112.1	M174 V229 L230 I264 E289 R290 E292	M174-K266 HydrophobicContact CB-CB 4.31Å; M174-K266 HydrophobicContact CB-CG 4.24Å; M174-K266 HydrophobicContact CG-CB 4.27Å; M174-K266 HydrophobicContact CG-CG 4.27Å; M174-K266 HydrophobicContact SD-CB 4Å; V229-K266 WeakPolarHBondContact CA-O 3.25Å; V229-K266 HydrophobicContact CG2-CB 4.32Å; L230-K266 PolarHBondContact N-O 2.91Å; L230-K266 VanDerWaalsContact N-O 3.09Å; I264-K266 WeakPolarHBondContact CG2-O 3.33Å; K266-E289 PolarHBondContact NZ-O 3.11Å; K266-R290 WeakPolarHBondContact CA-O 3.34Å; K266-E292 WeakPolarHBondContact CE-OE1 3.38Å; K266-E292 IonicContact NZ-OE1 3.43Å; K266-E292 PolarHBondContact NZ-OE1 2.88Å
267	C	97.9	Very high	87.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.2	176.8	-172.4	0	0	0	0	109.6	L230 R290 D291 E292	L230-C267 CarbonylContact O-C 2.94Å; L230-C267 VanDerWaalsContact O-CA 3.23Å; L230-C267 WeakPolarHBondContact O-CA 3.32Å; C267-R290 HydrophobicContact CB-CG 4.21Å; C267-R290 PolarHBondContact N-O 3.41Å; C267-D291 WeakPolarHBondContact CB-OD1 3.31Å; C267-D291 WeakPolarHBondContact O-CA 3.42Å; C267-E292 PolarHBondContact O-N 2.83Å
268	L	98.3	Very high	86.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.1	178	-172.7	62.3	0	0	0	109.2	V170 M174 L230 V231 T232 W294 A297	V170-L268 HydrophobicContact CG1-CD1 4.4Å; V170-L268 HydrophobicContact CG1-CD2 3.97Å; M174-L268 HydrophobicContact CE-CB 4.07Å; M174-L268 HydrophobicContact CE-CD1 3.73Å; M174-L268 HydrophobicContact CE-CG 4.36Å; M174-L268 HydrophobicContact SD-CB 4.35Å; L230-L268 PolarHBondContact O-N 2.94Å; V231-L268 WeakPolarHBondContact CA-O 3.28Å; V231-L268 HydrophobicContact CG1-CB 4.3Å; V231-L268 HydrophobicContact CG1-CD2 4.43Å; V231-L268 HydrophobicContact CG2-CB 4.26Å; T232-L268 PolarHBondContact N-O 2.8Å; L268-W294 HydrophobicContact CD1-CB 4.42Å; L268-W294 HydrophobicContact CD2-CD2 4.29Å; L268-W294 HydrophobicContact CD2-CE3 3.32Å; L268-W294 HydrophobicContact CD2-CZ3 3.63Å; L268-W294 HydrophobicContact CG-CB 4.5Å; L268-W294 HydrophobicContact CG-CE3 3.77Å; L268-W294 HydrophobicContact CG-CZ3 4.48Å; L268-A297 HydrophobicContact CD1-CB 3.89Å
269	V	98.4	Very high	85.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.9	-170.9	-168.6	0	0	0	0	110.6	T232 K246 W286 E292 W293 W294	T232-V269 HydrophobicContact CG2-CG1 4.4Å; T232-V269 HydrophobicContact CG2-CG2 4.17Å; T232-V269 CarbonylContact O-C 3.56Å; T232-V269 VanDerWaalsContact O-CA 3.31Å; T232-V269 WeakPolarHBondContact O-CA 3.33Å; K246-V269 HydrophobicContact CD-CG1 4.26Å; K246-V269 HydrophobicContact CD-CG2 3.96Å; V269-W286 HydrophobicContact CB-CH2 4.22Å; V269-W286 HydrophobicContact CB-CZ3 3.97Å; V269-W286 HydrophobicContact CG1-CZ3 4.32Å; V269-W286 HydrophobicContact CG2-CH2 4.15Å; V269-W286 HydrophobicContact CG2-CZ3 3.86Å; V269-E292 PolarHBondContact N-O 3.07Å; V269-W293 HydrophobicContact CB-CE3 3.96Å; V269-W293 HydrophobicContact CB-CZ3 4.05Å; V269-W293 HydrophobicContact CG1-CE3 4.05Å; V269-W293 HydrophobicContact CG1-CH2 4.31Å; V269-W293 HydrophobicContact CG1-CZ3 3.6Å; V269-W293 WeakPolarHBondContact O-CA 3.39Å; V269-W293 VanDerWaalsContact O-CE3 3.28Å; V269-W294 WeakPolarHBondContact O-CB 3.35Å; V269-W294 PolarHBondContact O-N 3.45Å
270	I	97.7	Very high	84.2	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	176.2	-67	138.7	0	0	0	110.5	L186 I189 E191 V231 T232 A233 D234 H272 W294	L186-I270 HydrophobicContact CD1-CD1 3.67Å; L186-I270 HydrophobicContact CD2-CD1 3.36Å; L186-I270 HydrophobicContact CG-CD1 4.18Å; I189-I270 HydrophobicContact CD1-CD1 4.44Å; I189-I270 HydrophobicContact CD1-CG2 3.97Å; E191-I270 HydrophobicContact CB-CD1 3.56Å; E191-I270 HydrophobicContact CB-CG1 4.23Å; E191-I270 HydrophobicContact CG-CD1 4.02Å; E191-I270 HydrophobicContact CG-CG1 4.12Å; E191-I270 HydrophobicContact CG-CG2 4.37Å; V231-I270 HydrophobicContact CG1-CD1 4.17Å; T232-I270 PolarHBondContact O-N 2.94Å; A233-I270 CarbonylContact C-O 3.44Å; A233-I270 WeakPolarHBondContact CA-O 3.14Å; A233-I270 HydrophobicContact CB-CB 4.22Å; D234-I270 PolarHBondContact N-O 3.29Å; I270-H272 PolarHBondContact O-N 3.33Å; I270-W294 HydrophobicContact CB-CB 4.34Å; I270-W294 HydrophobicContact CD1-CD2 4.17Å; I270-W294 HydrophobicContact CD1-CE3 3.78Å; I270-W294 HydrophobicContact CD1-CZ3 4.24Å; I270-W294 HydrophobicContact CG1-CB 3.58Å; I270-W294 HydrophobicContact CG1-CD2 3.68Å; I270-W294 HydrophobicContact CG1-CE3 3.7Å; I270-W294 HydrophobicContact CG1-CG 3.63Å
271	K	94.1	Very high	83.4	Confident	67 Å²	67	55.9 Å²	55.9	29%	0.291	31%	0.306	S	S	.	.			trans	-83.3	106.1	170.8	-68.2	174.7	-169.9	157.7	0	108.1	E273 W293 E296	K271-E273 PolarHBondContact O-N 3.42Å; K271-E273 VanDerWaalsContact O-N 3.11Å; K271-W293 HydrophobicContact CB-CZ3 4.37Å; K271-W293 HydrophobicContact CD-CD2 4.3Å; K271-W293 HydrophobicContact CD-CE3 4.08Å; K271-W293 HydrophobicContact CD-CZ3 4.26Å; K271-W293 VanDerWaalsContact CE-CE2 3.48Å; K271-W293 VanDerWaalsContact CE-CE3 3.48Å; K271-W293 HydrophobicContact CG-CD2 4.1Å; K271-W293 HydrophobicContact CG-CE3 3.39Å; K271-W293 HydrophobicContact CG-CH2 3.89Å; K271-W293 HydrophobicContact CG-CZ3 3.28Å; K271-E296 IonicContact NZ-OE1 3.03Å; K271-E296 PolarHBondContact NZ-OE1 3.42Å
272	H	92.3	Very high	83.8	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.046	30%	0.301	C	S	.	.			trans	-76	105.2	-178.2	-166.6	-58.7	0	0	0	111.1	I189 D234 G235 I270 G274 V275 R276 E388	I189-H272 WeakPolarHBondContact CG2-NE2 3.45Å; D234-H272 VanDerWaalsContact OD1-CB 3.28Å; D234-H272 WeakPolarHBondContact OD1-CB 3.38Å; D234-H272 PolarHBondContact OD1-N 3.34Å; G235-H272 WeakPolarHBondContact O-CB 3.45Å; I270-H272 PolarHBondContact O-N 3.33Å; H272-G274 VanDerWaalsContact C-N 3.32Å; H272-G274 PolarHBondContact ND1-N 3.45Å; H272-G274 PolarHBondContact O-N 3.21Å; H272-V275 HydrophobicContact CB-CB 4.21Å; H272-V275 HydrophobicContact CB-CG2 4.02Å; H272-V275 PolarHBondContact ND1-N 3.44Å; H272-V275 PolarHBondContact O-N 2.76Å; H272-R276 PolarHBondContact O-N 3.34Å; H272-E388 IonicContact CD2-OE1 3.6Å; H272-E388 IonicContact CE1-OE1 2.64Å; H272-E388 IonicContact CE1-OE2 3.79Å; H272-E388 IonicContact NE2-OE1 2.85Å; H272-E388 PolarHBondContact NE2-OE1 3.07Å; H272-E388 IonicContact NE2-OE2 3.54Å
273	E	80.4	Confident	84.2	Confident	164 Å²	164	58.6 Å²	58.6	77%	0.766	31%	0.306	S	S	*	.	H	α-helix	trans	-52.8	-47.3	-175.2	-65.9	-167.4	152.7	0	0	112.6	K271 V275 R276 A277	K271-E273 PolarHBondContact O-N 3.42Å; K271-E273 VanDerWaalsContact O-N 3.11Å; E273-V275 PolarHBondContact O-N 3.18Å; E273-R276 PolarHBondContact O-N 2.91Å; E273-A277 WeakPolarHBondContact O-CB 3.24Å; E273-A277 PolarHBondContact O-N 2.52Å
274	G	74.4	Confident	84.3	Confident	7 Å²	7	58.5 Å²	58.5	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-26.5	-179.7	0	0	0	0	0	114.9	H151 H272 S278	H151-G274 WeakPolarHBondContact CE1-CA 3.09Å; H151-G274 WeakPolarHBondContact ND1-CA 3.35Å; H272-G274 VanDerWaalsContact C-N 3.32Å; H272-G274 PolarHBondContact ND1-N 3.45Å; H272-G274 PolarHBondContact O-N 3.21Å; G274-S278 PolarHBondContact O-OG 2.8Å
275	V	79.6	Confident	84.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-82.1	-44.4	175.7	179.4	0	0	0	0	110.3	Y237 L242 H272 E273 A277 S278 C279 L282	Y237-V275 HydrophobicContact CD2-CB 4.36Å; Y237-V275 HydrophobicContact CD2-CG1 4.5Å; Y237-V275 HydrophobicContact CD2-CG2 3.78Å; Y237-V275 HydrophobicContact CE2-CB 4.34Å; Y237-V275 HydrophobicContact CE2-CG1 4.11Å; Y237-V275 HydrophobicContact CE2-CG2 4.21Å; L242-V275 HydrophobicContact CD1-CG1 3.7Å; L242-V275 HydrophobicContact CD1-CG2 4.4Å; H272-V275 HydrophobicContact CB-CB 4.21Å; H272-V275 HydrophobicContact CB-CG2 4.02Å; H272-V275 PolarHBondContact ND1-N 3.44Å; H272-V275 PolarHBondContact O-N 2.76Å; E273-V275 PolarHBondContact O-N 3.18Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 2.76Å; V275-S278 PolarHBondContact O-N 3.14Å; V275-S278 VanDerWaalsContact O-N 3.12Å; V275-C279 PolarHBondContact O-N 3Å; V275-L282 HydrophobicContact CG1-CD2 3.82Å
276	R	76.8	Confident	84.2	Confident	97 Å²	97	61 Å²	61	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-37.8	179	-70.1	-73.4	178	176.5	-4	112.3	D234 H272 E273 S278 T284	D234-R276 IonicContact OD2-CZ 2.81Å; D234-R276 VanDerWaalsContact OD2-CZ 3.26Å; D234-R276 IonicContact OD2-NE 3.66Å; D234-R276 PolarHBondContact OD2-NE 3.12Å; D234-R276 IonicContact OD2-NH2 2.79Å; D234-R276 PolarHBondContact OD2-NH2 2.85Å; H272-R276 PolarHBondContact O-N 3.34Å; E273-R276 PolarHBondContact O-N 2.91Å; R276-S278 VanDerWaalsContact C-N 3.25Å; R276-S278 PolarHBondContact O-N 3.19Å; R276-T284 PolarHBondContact NH2-OG1 3.26Å
277	A	70.1	Confident	84.1	Confident	76 Å²	76	61.2 Å²	61.2	63%	0.628	31%	0.314	S	S	*	.	H	α-helix	trans	-63.5	-31.8	174.6	0	0	0	0	0	112.6	E273 V275	E273-A277 WeakPolarHBondContact O-CB 3.24Å; E273-A277 PolarHBondContact O-N 2.52Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 2.76Å
278	S	67.2	Low	83.9	Confident	80 Å²	80	66.3 Å²	66.3	56%	0.559	35%	0.35	S	S	*	.	H	α-helix	trans	-100.7	-22.2	-172	-52.7	0	0	0	0	114.1	G274 V275 R276	G274-S278 PolarHBondContact O-OG 2.8Å; V275-S278 PolarHBondContact O-N 3.14Å; V275-S278 VanDerWaalsContact O-N 3.12Å; R276-S278 VanDerWaalsContact C-N 3.25Å; R276-S278 PolarHBondContact O-N 3.19Å
279	C	70.3	Confident	83.7	Confident	24 Å²	24	74.1 Å²	74.1	16%	0.162	39%	0.386	C	S	.	.			trans	-144.3	103.8	-171.2	-172.8	0	0	0	0	113.1	V275 K281	V275-C279 PolarHBondContact O-N 3Å; C279-K281 PolarHBondContact O-N 3.19Å
280	N	65.3	Low	83.6	Confident	162 Å²	162	75.1 Å²	75.1	87%	0.866	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	1.5	173.5	-68.5	-18.3	0	0	0	114.3
281	K	66.6	Low	83.6	Confident	185 Å²	185	75.2 Å²	75.2	80%	0.804	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	3.9	-172.5	-64.4	-174.3	-178.3	179	0	114.3	C279 Q283	C279-K281 PolarHBondContact O-N 3.19Å; K281-Q283 PolarHBondContact O-N 3.19Å; K281-Q283 VanDerWaalsContact O-N 3.08Å
282	L	83	Confident	83.7	Confident	17 Å²	17	75.2 Å²	75.2	9%	0.089	39%	0.392	C	S	.	.			trans	-63.4	113.8	174.8	-178	71.1	0	0	0	109.1	D234 L242 N244 V275	D234-L282 HydrophobicContact CB-CD2 3.88Å; L242-L282 HydrophobicContact CD1-CD1 4.43Å; L242-L282 HydrophobicContact CD2-CD1 4.24Å; N244-L282 HydrophobicContact CB-CD1 4.01Å; V275-L282 HydrophobicContact CG1-CD2 3.82Å
283	Q	82.3	Confident	83.9	Confident	154 Å²	154	76.6 Å²	76.6	72%	0.72	40%	0.397	S	S	*	.			trans	-77.1	124.8	172.7	-69.3	-175.5	-18	0	0	109.1	N244 K281 P285	N244-Q283 PolarHBondContact ND2-O 2.8Å; K281-Q283 PolarHBondContact O-N 3.19Å; K281-Q283 VanDerWaalsContact O-N 3.08Å; Q283-P285 WeakPolarHBondContact O-CD 3.5Å
284	T	90.4	Very high	84.7	Confident	31 Å²	31	69.2 Å²	69.2	19%	0.19	36%	0.362	C	S	.	.			trans	-113.3	94.2	173.5	-47.7	0	0	0	0	107.2	D234 K246 R276 W286 W293	D234-T284 HydrophobicContact CB-CG2 4.13Å; K246-T284 HydrophobicContact CB-CG2 4.05Å; K246-T284 HydrophobicContact CG-CG2 3.69Å; R276-T284 PolarHBondContact NH2-OG1 3.26Å; T284-W286 HydrophobicContact CG2-CE3 4.3Å; T284-W293 HydrophobicContact CG2-CH2 3.79Å; T284-W293 HydrophobicContact CG2-CZ2 4.29Å
285	P	90.3	Very high	85.7	Confident	55 Å²	55	72.7 Å²	72.7	36%	0.357	38%	0.379	S	S	.	.			trans	-60.6	147.2	174	-4.8	16.9	0	0	0	109.3	K246 D250 Q283	K246-P285 PolarHBondContact NZ-O 2.7Å; D250-P285 VanDerWaalsContact OD2-CB 3.29Å; D250-P285 WeakPolarHBondContact OD2-CB 3.19Å; Q283-P285 WeakPolarHBondContact O-CD 3.5Å
286	W	95.9	Very high	86.3	Confident	99 Å²	99	77.8 Å²	77.8	38%	0.375	40%	0.403	S	S	.	.			trans	-141.1	132.5	-168.8	-160.5	-93.2	0	0	0	111.9	V269 T284 D291 W293	V269-W286 HydrophobicContact CB-CH2 4.22Å; V269-W286 HydrophobicContact CB-CZ3 3.97Å; V269-W286 HydrophobicContact CG1-CZ3 4.32Å; V269-W286 HydrophobicContact CG2-CH2 4.15Å; V269-W286 HydrophobicContact CG2-CZ3 3.86Å; T284-W286 HydrophobicContact CG2-CE3 4.3Å; W286-D291 HydrophobicContact CD2-CB 3.81Å; W286-D291 HydrophobicContact CE3-CB 4.05Å; W286-D291 HydrophobicContact CG-CB 4.43Å; W286-D291 HydrophobicContact CH2-CB 3.91Å; W286-D291 VanDerWaalsContact CZ2-C 3.43Å; W286-D291 HydrophobicContact CZ2-CB 3.67Å; W286-D291 VanDerWaalsContact CZ2-O 3.23Å; W286-D291 WeakPolarHBondContact CZ2-O 3.38Å; W286-D291 HydrophobicContact CZ3-CB 4.1Å; W286-W293 AromaticContact CE3-CZ2 3.93Å; W286-W293 HydrophobicContact CE3-CZ2 3.93Å; W286-W293 HydrophobicContact CH2-CB 4.42Å; W286-W293 AromaticContact CH2-CD1 3.6Å; W286-W293 AromaticContact CH2-CD2 3.4Å; W286-W293 HydrophobicContact CH2-CD2 3.4Å; W286-W293 AromaticContact CH2-CE2 3.39Å; W286-W293 HydrophobicContact CH2-CE3 4.04Å; W286-W293 AromaticContact CH2-CG 3.58Å; W286-W293 HydrophobicContact CH2-CG 3.58Å; W286-W293 HydrophobicContact CH2-CZ2 4.04Å; W286-W293 AromaticContact CH2-NE1 3.45Å; W286-W293 AromaticContact CZ2-CD1 3.81Å; W286-W293 HydrophobicContact CZ2-CD2 4.35Å; W286-W293 HydrophobicContact CZ2-CG 4.17Å; W286-W293 AromaticContact CZ2-NE1 3.75Å; W286-W293 AromaticContact CZ3-CD2 3.64Å; W286-W293 HydrophobicContact CZ3-CD2 3.64Å; W286-W293 AromaticContact CZ3-CE2 3.32Å; W286-W293 HydrophobicContact CZ3-CE3 4.01Å; W286-W293 HydrophobicContact CZ3-CG 4.3Å; W286-W293 AromaticContact CZ3-CH2 3.88Å; W286-W293 HydrophobicContact CZ3-CH2 3.88Å; W286-W293 AromaticContact CZ3-CZ2 3.46Å; W286-W293 HydrophobicContact CZ3-CZ2 3.46Å; W286-W293 VanDerWaalsContact CZ3-CZ2 3.46Å; W286-W293 HydrophobicContact CZ3-CZ3 4.12Å; W286-W293 AromaticContact CZ3-NE1 3.76Å
287	D	94.8	Very high	87.1	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.294	39%	0.388	S	S	.	.			trans	-115.4	106.8	173.6	179.2	-16.6	0	0	0	108.3	E289 R290 D291	D287-E289 PolarHBondContact O-N 3.24Å; D287-E289 PolarHBondContact OD1-N 2.85Å; D287-R290 HydrophobicContact CB-CB 4.24Å; D287-R290 PolarHBondContact O-N 2.86Å; D287-R290 VanDerWaalsContact O-N 3.16Å; D287-R290 IonicContact OD2-CZ 3.43Å; D287-R290 IonicContact OD2-NE 3.93Å; D287-R290 IonicContact OD2-NH1 2.8Å; D287-R290 PolarHBondContact OD2-NH1 2.89Å; D287-D291 PolarHBondContact N-OD2 2.92Å; D287-D291 WeakPolarHBondContact O-CB 3.49Å; D287-D291 PolarHBondContact O-N 2.98Å
288	S	94.8	Very high	88.3	Confident	106 Å²	106	70.7 Å²	70.7	74%	0.741	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-16.3	-171.8	54.5	0	0	0	0	115
289	E	93.4	Very high	89.3	Confident	164 Å²	164	71 Å²	71	77%	0.766	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.8	177.3	-62.3	-170.8	163.7	0	0	111.6	K266 D287	K266-E289 PolarHBondContact NZ-O 3.11Å; D287-E289 PolarHBondContact O-N 3.24Å; D287-E289 PolarHBondContact OD1-N 2.85Å
290	R	95.5	Very high	89.8	Confident	21 Å²	21	76.3 Å²	76.3	8%	0.079	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-42.3	-170.9	-173.4	-166.8	68.5	-143.8	8.2	113.8	D250 K266 C267 D287	D250-R290 IonicContact OD1-CZ 3.38Å; D250-R290 IonicContact OD1-NH2 2.85Å; D250-R290 PolarHBondContact OD1-NH2 3.44Å; K266-R290 WeakPolarHBondContact CA-O 3.34Å; C267-R290 HydrophobicContact CB-CG 4.21Å; C267-R290 PolarHBondContact N-O 3.41Å; D287-R290 HydrophobicContact CB-CB 4.24Å; D287-R290 PolarHBondContact O-N 2.86Å; D287-R290 VanDerWaalsContact O-N 3.16Å; D287-R290 IonicContact OD2-CZ 3.43Å; D287-R290 IonicContact OD2-NE 3.93Å; D287-R290 IonicContact OD2-NH1 2.8Å; D287-R290 PolarHBondContact OD2-NH1 2.89Å
291	D	97.8	Very high	90.8	Very high	5 Å²	5	69.1 Å²	69.1	3%	0.027	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.3	-169.4	-59.3	-25	0	0	0	111.3	K246 C267 W286 D287	K246-D291 VanDerWaalsContact CE-OD2 3.28Å; K246-D291 WeakPolarHBondContact CE-OD2 3.19Å; K246-D291 IonicContact NZ-OD1 3.62Å; K246-D291 IonicContact NZ-OD2 2.81Å; K246-D291 PolarHBondContact NZ-OD2 2.83Å; C267-D291 WeakPolarHBondContact CB-OD1 3.31Å; C267-D291 WeakPolarHBondContact O-CA 3.42Å; W286-D291 HydrophobicContact CD2-CB 3.81Å; W286-D291 HydrophobicContact CE3-CB 4.05Å; W286-D291 HydrophobicContact CG-CB 4.43Å; W286-D291 HydrophobicContact CH2-CB 3.91Å; W286-D291 VanDerWaalsContact CZ2-C 3.43Å; W286-D291 HydrophobicContact CZ2-CB 3.67Å; W286-D291 VanDerWaalsContact CZ2-O 3.23Å; W286-D291 WeakPolarHBondContact CZ2-O 3.38Å; W286-D291 HydrophobicContact CZ3-CB 4.1Å; D287-D291 PolarHBondContact N-OD2 2.92Å; D287-D291 WeakPolarHBondContact O-CB 3.49Å; D287-D291 PolarHBondContact O-N 2.98Å
292	E	97.1	Very high	92	Very high	68 Å²	68	63.4 Å²	63.4	32%	0.318	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141	176.5	-69.6	176.9	-150.4	0	0	109.7	M174 K266 C267 V269	M174-E292 HydrophobicContact CE-CB 3.94Å; M174-E292 HydrophobicContact CE-CG 4.38Å; M174-E292 WeakPolarHBondContact CE-OE2 3.46Å; K266-E292 WeakPolarHBondContact CE-OE1 3.38Å; K266-E292 IonicContact NZ-OE1 3.43Å; K266-E292 PolarHBondContact NZ-OE1 2.88Å; C267-E292 PolarHBondContact O-N 2.83Å; V269-E292 PolarHBondContact N-O 3.07Å
293	W	96.9	Very high	92.3	Very high	39 Å²	39	68.5 Å²	68.5	15%	0.148	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.8	176.6	-73.1	116.4	0	0	0	111	D234 V269 K271 T284 W286 D295 E296 A297	D234-W293 HydrophobicContact CB-CH2 4.44Å; D234-W293 HydrophobicContact CB-CZ3 4.46Å; V269-W293 HydrophobicContact CB-CE3 3.96Å; V269-W293 HydrophobicContact CB-CZ3 4.05Å; V269-W293 HydrophobicContact CG1-CE3 4.05Å; V269-W293 HydrophobicContact CG1-CH2 4.31Å; V269-W293 HydrophobicContact CG1-CZ3 3.6Å; V269-W293 WeakPolarHBondContact O-CA 3.39Å; V269-W293 VanDerWaalsContact O-CE3 3.28Å; K271-W293 HydrophobicContact CB-CZ3 4.37Å; K271-W293 HydrophobicContact CD-CD2 4.3Å; K271-W293 HydrophobicContact CD-CE3 4.08Å; K271-W293 HydrophobicContact CD-CZ3 4.26Å; K271-W293 VanDerWaalsContact CE-CE2 3.48Å; K271-W293 VanDerWaalsContact CE-CE3 3.48Å; K271-W293 HydrophobicContact CG-CD2 4.1Å; K271-W293 HydrophobicContact CG-CE3 3.39Å; K271-W293 HydrophobicContact CG-CH2 3.89Å; K271-W293 HydrophobicContact CG-CZ3 3.28Å; T284-W293 HydrophobicContact CG2-CH2 3.79Å; T284-W293 HydrophobicContact CG2-CZ2 4.29Å; W286-W293 AromaticContact CE3-CZ2 3.93Å; W286-W293 HydrophobicContact CE3-CZ2 3.93Å; W286-W293 HydrophobicContact CH2-CB 4.42Å; W286-W293 AromaticContact CH2-CD1 3.6Å; W286-W293 AromaticContact CH2-CD2 3.4Å; W286-W293 HydrophobicContact CH2-CD2 3.4Å; W286-W293 AromaticContact CH2-CE2 3.39Å; W286-W293 HydrophobicContact CH2-CE3 4.04Å; W286-W293 AromaticContact CH2-CG 3.58Å; W286-W293 HydrophobicContact CH2-CG 3.58Å; W286-W293 HydrophobicContact CH2-CZ2 4.04Å; W286-W293 AromaticContact CH2-NE1 3.45Å; W286-W293 AromaticContact CZ2-CD1 3.81Å; W286-W293 HydrophobicContact CZ2-CD2 4.35Å; W286-W293 HydrophobicContact CZ2-CG 4.17Å; W286-W293 AromaticContact CZ2-NE1 3.75Å; W286-W293 AromaticContact CZ3-CD2 3.64Å; W286-W293 HydrophobicContact CZ3-CD2 3.64Å; W286-W293 AromaticContact CZ3-CE2 3.32Å; W286-W293 HydrophobicContact CZ3-CE3 4.01Å; W286-W293 HydrophobicContact CZ3-CG 4.3Å; W286-W293 AromaticContact CZ3-CH2 3.88Å; W286-W293 HydrophobicContact CZ3-CH2 3.88Å; W286-W293 AromaticContact CZ3-CZ2 3.46Å; W286-W293 HydrophobicContact CZ3-CZ2 3.46Å; W286-W293 VanDerWaalsContact CZ3-CZ2 3.46Å; W286-W293 HydrophobicContact CZ3-CZ3 4.12Å; W286-W293 AromaticContact CZ3-NE1 3.76Å; W293-D295 PolarHBondContact O-N 2.9Å; W293-E296 HydrophobicContact CB-CB 4.25Å; W293-E296 HydrophobicContact CB-CG 4.17Å; W293-E296 VanDerWaalsContact CD1-OE1 3.27Å; W293-E296 PolarHBondContact O-N 2.98Å; W293-A297 WeakPolarHBondContact O-CB 3.36Å; W293-A297 PolarHBondContact O-N 3.34Å
294	W	97.1	Very high	92.9	Very high	8 Å²	8	66.7 Å²	66.7	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-54.5	-53.9	178.3	179.1	-84.5	0	0	0	112.3	C167 E191 Y194 T195 V231 L268 V269 I270 E296 A297 M298	C167-W294 HydrophobicContact CB-CH2 3.94Å; C167-W294 HydrophobicContact CB-CZ2 4.31Å; C167-W294 WeakPolarHBondContact SG-CH2 3.46Å; E191-W294 HydrophobicContact CB-CH2 4.12Å; E191-W294 HydrophobicContact CB-CZ2 4.01Å; E191-W294 HydrophobicContact CB-CZ3 4.48Å; E191-W294 HydrophobicContact CG-CD2 4.23Å; E191-W294 HydrophobicContact CG-CH2 4.37Å; E191-W294 HydrophobicContact CG-CZ2 3.77Å; Y194-W294 HydrophobicContact CD2-CZ2 4.43Å; T195-W294 WeakPolarHBondContact OG1-CH2 3.28Å; T195-W294 WeakPolarHBondContact OG1-CZ3 3.35Å; V231-W294 HydrophobicContact CG1-CE3 4.29Å; V231-W294 HydrophobicContact CG1-CZ3 4.04Å; L268-W294 HydrophobicContact CD1-CB 4.42Å; L268-W294 HydrophobicContact CD2-CD2 4.29Å; L268-W294 HydrophobicContact CD2-CE3 3.32Å; L268-W294 HydrophobicContact CD2-CZ3 3.63Å; L268-W294 HydrophobicContact CG-CB 4.5Å; L268-W294 HydrophobicContact CG-CE3 3.77Å; L268-W294 HydrophobicContact CG-CZ3 4.48Å; V269-W294 WeakPolarHBondContact O-CB 3.35Å; V269-W294 PolarHBondContact O-N 3.45Å; I270-W294 HydrophobicContact CB-CB 4.34Å; I270-W294 HydrophobicContact CD1-CD2 4.17Å; I270-W294 HydrophobicContact CD1-CE3 3.78Å; I270-W294 HydrophobicContact CD1-CZ3 4.24Å; I270-W294 HydrophobicContact CG1-CB 3.58Å; I270-W294 HydrophobicContact CG1-CD2 3.68Å; I270-W294 HydrophobicContact CG1-CE3 3.7Å; I270-W294 HydrophobicContact CG1-CG 3.63Å; W294-E296 VanDerWaalsContact C-N 3.29Å; W294-E296 PolarHBondContact O-N 3.14Å; W294-A297 PolarHBondContact O-N 3.16Å; W294-A297 VanDerWaalsContact O-N 3.15Å; W294-M298 HydrophobicContact CD2-CG 4.14Å; W294-M298 HydrophobicContact CG-CG 4.09Å; W294-M298 HydrophobicContact CZ2-CE 3.84Å; W294-M298 HydrophobicContact CZ2-CG 4.38Å; W294-M298 HydrophobicContact CZ2-SD 3.99Å; W294-M298 WeakPolarHBondContact O-CB 3.33Å; W294-M298 WeakPolarHBondContact O-CG 3.41Å; W294-M298 PolarHBondContact O-N 2.88Å
295	D	93.8	Very high	93.2	Very high	81 Å²	81	65.5 Å²	65.5	43%	0.433	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-40.1	-174.9	-49.6	-37.3	0	0	0	112.4	W293 M298 S299	W293-D295 PolarHBondContact O-N 2.9Å; D295-M298 PolarHBondContact O-N 3.42Å; D295-S299 PolarHBondContact O-N 3.03Å
296	E	93.4	Very high	93.5	Very high	107 Å²	107	69 Å²	69	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-69	-41.8	178.4	-67.2	163.5	-149.6	0	0	110.9	K271 W293 W294 M298 S299	K271-E296 IonicContact NZ-OE1 3.03Å; K271-E296 PolarHBondContact NZ-OE1 3.42Å; W293-E296 HydrophobicContact CB-CB 4.25Å; W293-E296 HydrophobicContact CB-CG 4.17Å; W293-E296 VanDerWaalsContact CD1-OE1 3.27Å; W293-E296 PolarHBondContact O-N 2.98Å; W294-E296 VanDerWaalsContact C-N 3.29Å; W294-E296 PolarHBondContact O-N 3.14Å; E296-M298 VanDerWaalsContact C-N 3.34Å; E296-M298 PolarHBondContact O-N 2.85Å; E296-S299 PolarHBondContact O-OG 3.39Å
297	A	94.3	Very high	93.6	Very high	8 Å²	8	64.6 Å²	64.6	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-36.9	175.8	0	0	0	0	0	112	V170 R173 L268 W293 W294	V170-A297 HydrophobicContact CG1-CB 3.83Å; V170-A297 HydrophobicContact CG2-CB 4.06Å; V170-A297 VanDerWaalsContact CG2-O 3.28Å; V170-A297 WeakPolarHBondContact CG2-O 3.26Å; R173-A297 PolarHBondContact NH2-O 3.48Å; L268-A297 HydrophobicContact CD1-CB 3.89Å; W293-A297 WeakPolarHBondContact O-CB 3.36Å; W293-A297 PolarHBondContact O-N 3.34Å; W294-A297 PolarHBondContact O-N 3.16Å; W294-A297 VanDerWaalsContact O-N 3.15Å
298	M	93.4	Very high	93.8	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-73.3	-40	-177.1	-67.8	-71.3	-76.9	0	0	112.1	H163 H166 C167 V170 W294 D295 E296 D300 S301	H163-M298 WeakPolarHBondContact O-CE 3.46Å; H166-M298 HydrophobicContact CB-CE 3.33Å; H166-M298 HydrophobicContact CB-SD 3.81Å; C167-M298 HydrophobicContact CB-CE 4.22Å; C167-M298 HydrophobicContact CB-SD 4.07Å; V170-M298 HydrophobicContact CG2-SD 3.87Å; W294-M298 HydrophobicContact CD2-CG 4.14Å; W294-M298 HydrophobicContact CG-CG 4.09Å; W294-M298 HydrophobicContact CZ2-CE 3.84Å; W294-M298 HydrophobicContact CZ2-CG 4.38Å; W294-M298 HydrophobicContact CZ2-SD 3.99Å; W294-M298 WeakPolarHBondContact O-CB 3.33Å; W294-M298 WeakPolarHBondContact O-CG 3.41Å; W294-M298 PolarHBondContact O-N 2.88Å; D295-M298 PolarHBondContact O-N 3.42Å; E296-M298 VanDerWaalsContact C-N 3.34Å; E296-M298 PolarHBondContact O-N 2.85Å; M298-D300 PolarHBondContact O-N 2.93Å; M298-S301 PolarHBondContact O-N 3Å; M298-S301 VanDerWaalsContact O-N 3.09Å; M298-S301 PolarHBondContact O-OG 3.43Å
299	S	89.3	Confident	93.9	Very high	87 Å²	87	64 Å²	64	61%	0.608	33%	0.325	S	S	*	.	H	α-helix	trans	-58.2	-31.4	-178.9	62.4	0	0	0	0	113.7	D295 E296 S301	D295-S299 PolarHBondContact O-N 3.03Å; E296-S299 PolarHBondContact O-OG 3.39Å; S299-S301 VanDerWaalsContact C-N 3.33Å
300	D	80.9	Confident	94.2	Very high	134 Å²	134	56.4 Å²	56.4	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	7.4	-175.9	-65.2	-3.8	0	0	0	112.7	M298	M298-D300 PolarHBondContact O-N 2.93Å
301	S	86.6	Confident	94.3	Very high	11 Å²	11	57.9 Å²	57.9	8%	0.077	30%	0.299	C	S	.	.	S	Bend	trans	-105	149.9	-175.5	71.9	0	0	0	0	113	H166 M298 S299	H166-S301 WeakPolarHBondContact CA-OG 3.44Å; H166-S301 VanDerWaalsContact CB-OG 3.22Å; H166-S301 WeakPolarHBondContact CB-OG 3.4Å; H166-S301 PolarHBondContact CE1-O 2.84Å; H166-S301 PolarHBondContact ND1-O 3.45Å; H166-S301 PolarHBondContact ND1-OG 3.29Å; M298-S301 PolarHBondContact O-N 3Å; M298-S301 VanDerWaalsContact O-N 3.09Å; M298-S301 PolarHBondContact O-OG 3.43Å; S299-S301 VanDerWaalsContact C-N 3.33Å
302	S	91.3	Very high	94.3	Very high	65 Å²	65	57.7 Å²	57.7	46%	0.455	30%	0.298	S	S	.	.			trans	-74	144	175.3	-179.4	0	0	0	0	111.6	H166 N169 D304	H166-S302 PolarHBondContact ND1-O 3.17Å; N169-S302 PolarHBondContact ND2-O 2.81Å; S302-D304 PolarHBondContact O-N 2.89Å; S302-D304 PolarHBondContact OG-N 3.16Å; S302-D304 VanDerWaalsContact OG-N 3.08Å; S302-D304 PolarHBondContact OG-O 2.83Å
303	E	89.6	Confident	94.4	Very high	124 Å²	124	56.6 Å²	56.6	58%	0.579	29%	0.293	S	S	*	.	S	Bend	trans	-70.7	-16.2	169.1	-71.7	-176.6	-166.2	0	0	112.7	C165 H166	C165-E303 WeakPolarHBondContact CB-O 3.41Å; H166-E303 WeakPolarHBondContact CE1-CG 3.47Å; H166-E303 WeakPolarHBondContact NE2-CG 3.35Å; H166-E303 IonicContact NE2-OE1 2.77Å
304	D	93.7	Very high	94.5	Very high	117 Å²	117	56.2 Å²	56.2	63%	0.626	29%	0.294	S	S	*	.			trans	-96.9	123.8	174.8	-70.9	-46.6	0	0	0	111.1	N169 S302	N169-D304 PolarHBondContact ND2-O 3.14Å; S302-D304 PolarHBondContact O-N 2.89Å; S302-D304 PolarHBondContact OG-N 3.16Å; S302-D304 VanDerWaalsContact OG-N 3.08Å; S302-D304 PolarHBondContact OG-O 2.83Å
305	C	97.4	Very high	94.6	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.041	31%	0.309	C	S	.	.			trans	-138.8	112.9	170.2	-171	0	0	0	0	109	C165 A168 N169 R201	C165-C305 HydrophobicContact CB-CB 3.78Å; A168-C305 HydrophobicContact CB-CB 4.28Å; N169-C305 PolarHBondContact OD1-SG 3.11Å; R201-C305 PolarHBondContact NE-O 3.33Å; R201-C305 PolarHBondContact NH2-O 3.35Å
306	E	96.8	Very high	94.8	Very high	129 Å²	129	54.7 Å²	54.7	60%	0.603	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-66.6	134	174.9	-75.9	-62.3	126.3	0	0	110.9
307	P	97.8	Very high	95.1	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.039	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-70.7	144	178.7	30.7	-34.8	0	0	0	111.1	N121 Y124 R201 W309	N121-P307 HydrophobicContact CB-CB 4.13Å; Y124-P307 HydrophobicContact CD2-CG 4.08Å; R201-P307 HydrophobicContact CG-CB 4.13Å; P307-W309 HydrophobicContact CG-CH2 4.07Å; P307-W309 HydrophobicContact CG-CZ2 4.03Å
308	E	98.4	Very high	95.3	Very high	81 Å²	81	49.2 Å²	49.2	38%	0.379	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-73.5	130.8	168.6	-66.5	-62.1	151	0	0	109.5	N121 K172 R201 I202 L310	N121-E308 PolarHBondContact ND2-O 3.36Å; K172-E308 IonicContact NZ-OE1 3.87Å; R201-E308 PolarHBondContact O-N 3.33Å; I202-E308 WeakPolarHBondContact O-CG 3.26Å; E308-L310 HydrophobicContact CB-CD2 4.03Å; E308-L310 PolarHBondContact O-N 2.95Å
309	W	98.4	Very high	95.4	Very high	68 Å²	68	48.8 Å²	48.8	26%	0.258	26%	0.26	S	S	.	.			trans	-84.4	102.3	177.3	-59.9	109.3	0	0	0	110.1	F89 K91 N121 Y124 P307	F89-W309 HydrophobicContact CD1-CH2 4.12Å; F89-W309 AromaticContact CD1-CZ3 3.96Å; F89-W309 HydrophobicContact CD1-CZ3 3.96Å; F89-W309 AromaticContact CE1-CH2 3.55Å; F89-W309 HydrophobicContact CE1-CH2 3.55Å; F89-W309 HydrophobicContact CE1-CZ2 4.45Å; F89-W309 AromaticContact CE1-CZ3 3.63Å; F89-W309 HydrophobicContact CE1-CZ3 3.63Å; K91-W309 HydrophobicContact CB-CD2 3.82Å; K91-W309 HydrophobicContact CB-CE3 3.63Å; K91-W309 HydrophobicContact CB-CG 4.25Å; K91-W309 HydrophobicContact CB-CZ3 4.14Å; K91-W309 HydrophobicContact CD-CD2 4.21Å; K91-W309 HydrophobicContact CD-CZ2 4.37Å; K91-W309 HydrophobicContact CG-CB 4.44Å; K91-W309 HydrophobicContact CG-CD2 3.81Å; K91-W309 HydrophobicContact CG-CE3 4.17Å; K91-W309 HydrophobicContact CG-CG 3.91Å; N121-W309 HydrophobicContact CB-CE3 4.25Å; N121-W309 HydrophobicContact CB-CZ3 4.24Å; Y124-W309 HydrophobicContact CD2-CH2 4.08Å; Y124-W309 HydrophobicContact CE2-CH2 4.25Å; Y124-W309 HydrophobicContact CG-CH2 4.23Å; Y124-W309 HydrophobicContact CG-CZ3 4.4Å; P307-W309 HydrophobicContact CG-CH2 4.07Å; P307-W309 HydrophobicContact CG-CZ2 4.03Å
310	L	98.5	Very high	95.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	147.4	-173.3	-52.8	176.4	0	0	0	111	K119 T120 K178 G203 E308 D314 V335	K119-L310 CarbonylContact C-O 3.39Å; K119-L310 WeakPolarHBondContact CA-O 3.4Å; T120-L310 PolarHBondContact N-O 2.99Å; T120-L310 PolarHBondContact O-N 2.97Å; K178-L310 HydrophobicContact CD-CD2 3.91Å; K178-L310 HydrophobicContact CG-CD2 4.16Å; G203-L310 VanDerWaalsContact CA-CD2 3.45Å; E308-L310 HydrophobicContact CB-CD2 4.03Å; E308-L310 PolarHBondContact O-N 2.95Å; L310-D314 WeakPolarHBondContact CA-OD2 3.28Å; L310-D314 HydrophobicContact CB-CB 4.22Å; L310-D314 WeakPolarHBondContact CB-OD2 3.5Å; L310-V335 HydrophobicContact CB-CG2 4.27Å; L310-V335 HydrophobicContact CD1-CG2 3.88Å
311	D	98.5	Very high	95	Very high	53 Å²	53	39.7 Å²	39.7	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.8	167.3	-68.7	-66.4	0	0	0	109.4	A118 K119 K178 E313 D314	A118-D311 WeakPolarHBondContact O-CA 2.98Å; K119-D311 WeakPolarHBondContact CE-OD1 3.5Å; K119-D311 IonicContact NZ-OD1 2.78Å; K178-D311 IonicContact NZ-OD2 2.7Å; D311-E313 PolarHBondContact O-N 2.81Å; D311-D314 PolarHBondContact N-OD2 2.78Å; D311-D314 WeakPolarHBondContact O-CB 3.4Å; D311-D314 PolarHBondContact O-N 2.84Å
312	A	98.3	Very high	93.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-33.3	-178.8	0	0	0	0	0	114.1	M115 A118 V335 A336	M115-A312 HydrophobicContact CB-CB 4.22Å; M115-A312 WeakPolarHBondContact O-CB 3.33Å; A118-A312 HydrophobicContact CB-CB 4.17Å; A118-A312 PolarHBondContact O-N 3.41Å; A312-V335 PolarHBondContact O-N 2.92Å; A312-A336 HydrophobicContact CB-CB 3.47Å; A312-A336 VanDerWaalsContact CB-CB 3.47Å; A312-A336 PolarHBondContact O-N 2.7Å
313	E	98.2	Very high	91.9	Very high	45 Å²	45	41.7 Å²	41.7	21%	0.21	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.2	-178.4	-69.5	-59.5	142.1	0	0	113.7	K113 C114 D311 T334 R532	K113-E313 HydrophobicContact CB-CG 4.22Å; C114-E313 WeakPolarHBondContact CA-OE1 3.13Å; C114-E313 PolarHBondContact N-OE1 2.78Å; C114-E313 VanDerWaalsContact O-OE1 3.12Å; D311-E313 PolarHBondContact O-N 2.81Å; E313-T334 VanDerWaalsContact O-CG2 3.22Å; E313-T334 WeakPolarHBondContact O-CG2 3.34Å; E313-T334 PolarHBondContact OE2-OG1 2.8Å; E313-R532 IonicContact OE1-CZ 3.89Å; E313-R532 IonicContact OE1-NE 3.31Å; E313-R532 PolarHBondContact OE1-NE 2.88Å; E313-R532 IonicContact OE1-NH2 2.85Å; E313-R532 PolarHBondContact OE1-NH2 2.84Å; E313-R532 IonicContact OE2-CZ 2.71Å; E313-R532 IonicContact OE2-NE 2.73Å; E313-R532 PolarHBondContact OE2-NE 2.86Å; E313-R532 IonicContact OE2-NH2 3.7Å
314	D	98.7	Very high	89.8	Confident	31 Å²	31	40.8 Å²	40.8	17%	0.166	23%	0.228	C	C	.	.	S	Bend	trans	-62.3	140.6	167.1	-79.1	-34.8	0	0	0	109.7	K178 L310 D311 L316 T334 V335	K178-D314 VanDerWaalsContact CE-CG 3.49Å; K178-D314 WeakPolarHBondContact CE-OD2 3.44Å; K178-D314 IonicContact NZ-OD1 3.57Å; K178-D314 PolarHBondContact NZ-OD1 2.87Å; K178-D314 IonicContact NZ-OD2 3.46Å; K178-D314 PolarHBondContact NZ-OD2 2.72Å; L310-D314 WeakPolarHBondContact CA-OD2 3.28Å; L310-D314 HydrophobicContact CB-CB 4.22Å; L310-D314 WeakPolarHBondContact CB-OD2 3.5Å; D311-D314 PolarHBondContact N-OD2 2.78Å; D311-D314 WeakPolarHBondContact O-CB 3.4Å; D311-D314 PolarHBondContact O-N 2.84Å; D314-L316 PolarHBondContact O-N 3.16Å; D314-T334 VanDerWaalsContact O-CA 3.27Å; D314-T334 WeakPolarHBondContact O-CA 3.5Å; D314-T334 WeakPolarHBondContact O-CB 3.41Å; D314-V335 HydrophobicContact CB-CG2 4.38Å; D314-V335 PolarHBondContact O-N 2.7Å
315	P	98.6	Very high	87.6	Confident	54 Å²	54	40 Å²	40	35%	0.351	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	131.3	174.6	-21.5	32.7	0	0	0	111.3	V205 V332	V205-P315 HydrophobicContact CG1-CB 4.18Å; V205-P315 HydrophobicContact CG2-CB 3.84Å; P315-V332 HydrophobicContact CB-CG1 4Å; P315-V332 HydrophobicContact CG-CG1 4.49Å
316	L	98.9	Very high	85.4	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-47.1	175.4	178.4	66.1	0	0	0	111	M122 A200 D314 H333 V335 Y338 Y375	M122-L316 HydrophobicContact CB-CD1 3.95Å; M122-L316 HydrophobicContact CE-CD2 3.58Å; M122-L316 HydrophobicContact CG-CD1 4.04Å; M122-L316 HydrophobicContact CG-CD2 4.37Å; A200-L316 HydrophobicContact CB-CD1 3.69Å; D314-L316 PolarHBondContact O-N 3.16Å; L316-H333 PolarHBondContact N-O 3.33Å; L316-V335 HydrophobicContact CB-CG2 4.36Å; L316-Y338 HydrophobicContact CD2-CD1 3.77Å; L316-Y338 HydrophobicContact CD2-CE1 4.27Å; L316-Y338 HydrophobicContact CD2-CG 4.44Å; L316-Y375 HydrophobicContact CD2-CE1 4.46Å; L316-Y375 HydrophobicContact CD2-CE2 4.23Å
317	F	98.9	Very high	83.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161	-179.7	67.3	-99.1	0	0	0	112.7	H206 L319 H333 Y338 I367 H370 Y375	H206-F317 WeakPolarHBondContact CE1-CB 3.41Å; H206-F317 AromaticContact CE1-CG 3.88Å; H206-F317 WeakPolarHBondContact NE2-CB 3.46Å; H206-F317 VanDerWaalsContact O-CA 3.25Å; H206-F317 WeakPolarHBondContact O-CA 3.05Å; H206-F317 WeakPolarHBondContact O-CB 3.03Å; F317-L319 HydrophobicContact CD2-CB 3.94Å; F317-L319 HydrophobicContact CE2-CB 3.86Å; F317-H333 HydrophobicContact CD1-CB 4.21Å; F317-H333 HydrophobicContact CE1-CB 3.64Å; F317-H333 HydrophobicContact CE2-CB 4.09Å; F317-H333 AromaticContact CE2-CD2 3.51Å; F317-H333 HydrophobicContact CZ-CB 3.57Å; F317-H333 AromaticContact CZ-CD2 3.34Å; F317-H333 WeakPolarHBondContact CZ-CD2 3.3Å; F317-H333 AromaticContact CZ-CG 3.62Å; F317-H333 PolarHBondContact O-N 2.98Å; F317-Y338 HydrophobicContact CE1-CD1 4.2Å; F317-Y338 HydrophobicContact CE1-CD2 4.11Å; F317-Y338 AromaticContact CE1-CE1 3.8Å; F317-Y338 HydrophobicContact CE1-CE1 3.8Å; F317-Y338 AromaticContact CE1-CE2 3.72Å; F317-Y338 HydrophobicContact CE1-CE2 3.72Å; F317-Y338 HydrophobicContact CE1-CG 4.33Å; F317-Y338 AromaticContact CE1-CZ 3.53Å; F317-Y338 HydrophobicContact CZ-CD2 4.29Å; F317-Y338 AromaticContact CZ-CE2 3.69Å; F317-Y338 HydrophobicContact CZ-CE2 3.69Å; F317-Y338 AromaticContact CZ-CZ 3.81Å; F317-I367 HydrophobicContact CE2-CD1 4.03Å; F317-I367 HydrophobicContact CZ-CD1 3.76Å; F317-H370 AromaticContact CD2-CD2 3.87Å; F317-H370 AromaticContact CE2-CD2 3.9Å; F317-H370 AromaticContact CG-CD2 3.97Å; F317-Y375 HydrophobicContact CD1-CE2 4.39Å
318	I	98.7	Very high	82.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	167.9	-60.8	160.1	0	0	0	107.6	R181 V205 H206 S207 Y320 G330 V331 V332 Y535	R181-I318 HydrophobicContact CG-CD1 3.66Å; V205-I318 HydrophobicContact CG1-CD1 3.94Å; V205-I318 HydrophobicContact CG1-CG1 3.75Å; H206-I318 PolarHBondContact O-N 2.87Å; S207-I318 WeakPolarHBondContact CA-O 3.46Å; I318-Y320 HydrophobicContact CG2-CD2 4.2Å; I318-Y320 HydrophobicContact CG2-CE2 3.71Å; I318-G330 VanDerWaalsContact CG2-CA 3.45Å; I318-V331 WeakPolarHBondContact CA-O 3.08Å; I318-V332 HydrophobicContact CG1-CG2 4.26Å; I318-Y535 HydrophobicContact CD1-CD1 4.08Å; I318-Y535 HydrophobicContact CD1-CD2 3.42Å; I318-Y535 VanDerWaalsContact CD1-CD2 3.42Å; I318-Y535 HydrophobicContact CD1-CE1 4.29Å; I318-Y535 HydrophobicContact CD1-CE2 3.67Å; I318-Y535 HydrophobicContact CD1-CG 3.65Å; I318-Y535 HydrophobicContact CG1-CD2 4.02Å; I318-Y535 HydrophobicContact CG1-CG 4.24Å
319	L	96.6	Very high	81.5	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.6	174.7	-169.9	62.4	0	0	0	111.4	F317 T321 V331 I367 T473	F317-L319 HydrophobicContact CD2-CB 3.94Å; F317-L319 HydrophobicContact CE2-CB 3.86Å; L319-T321 PolarHBondContact O-N 2.9Å; L319-V331 PolarHBondContact N-O 3.48Å; L319-V331 WeakPolarHBondContact O-CB 3.31Å; L319-V331 PolarHBondContact O-N 3.17Å; L319-I367 HydrophobicContact CD2-CB 3.8Å; L319-I367 HydrophobicContact CD2-CD1 4.04Å; L319-T473 HydrophobicContact CB-CG2 4.29Å; L319-T473 HydrophobicContact CD2-CG2 3.89Å; L319-T473 HydrophobicContact CG-CG2 4.29Å
320	Y	86.3	Confident	81.2	Confident	11 Å²	11	38.5 Å²	38.5	4%	0.043	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.2	-174	-78.5	-79.9	0	0	0	113.2	R221 D224 A225 I318 P328 K329	R221-Y320 HydrophobicContact CB-CD2 3.84Å; R221-Y320 HydrophobicContact CB-CE2 3.98Å; R221-Y320 HydrophobicContact CB-CG 4.28Å; R221-Y320 HydrophobicContact CG-CD1 4.12Å; R221-Y320 HydrophobicContact CG-CD2 3.69Å; R221-Y320 HydrophobicContact CG-CE2 4.24Å; R221-Y320 HydrophobicContact CG-CG 3.62Å; D224-Y320 VanDerWaalsContact C-OH 3.27Å; D224-Y320 HydrophobicContact CB-CE1 3.99Å; D224-Y320 WeakPolarHBondContact CB-OH 3.42Å; D224-Y320 WeakPolarHBondContact OD2-CE1 3.32Å; D224-Y320 VanDerWaalsContact OD2-CZ 3.29Å; D224-Y320 PolarHBondContact OD2-OH 2.73Å; A225-Y320 WeakPolarHBondContact CA-OH 3.49Å; A225-Y320 HydrophobicContact CB-CE2 4.1Å; A225-Y320 WeakPolarHBondContact CB-OH 3.29Å; A225-Y320 PolarHBondContact N-OH 3.32Å; I318-Y320 HydrophobicContact CG2-CD2 4.2Å; I318-Y320 HydrophobicContact CG2-CE2 3.71Å; Y320-P328 HydrophobicContact CD1-CB 3.58Å; Y320-P328 HydrophobicContact CE1-CB 4.36Å; Y320-P328 HydrophobicContact CG-CB 4.34Å; Y320-K329 CarbonylContact C-O 3.55Å; Y320-K329 VanDerWaalsContact CA-O 3.31Å; Y320-K329 WeakPolarHBondContact CA-O 3.32Å
321	T	74.9	Confident	81.2	Confident	19 Å²	19	38.3 Å²	38.3	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	155.2	173.7	65.8	0	0	0	0	112	L319 G323 P328 K329 V331 T473	L319-T321 PolarHBondContact O-N 2.9Å; T321-G323 PolarHBondContact O-N 2.67Å; T321-P328 CarbonylContact O-C 3.42Å; T321-P328 WeakPolarHBondContact O-CA 3.39Å; T321-K329 PolarHBondContact N-O 3.13Å; T321-K329 PolarHBondContact O-N 3.18Å; T321-K329 WeakPolarHBondContact OG1-CE 3.31Å; T321-V331 HydrophobicContact CG2-CG2 3.98Å; T321-T473 HydrophobicContact CG2-CG2 3.53Å
322	S	63.7	Low	81.2	Confident	107 Å²	107	36.1 Å²	36.1	75%	0.748	23%	0.225	S	C	*	.			trans	-71.7	123.4	173	45	0	0	0	0	110.2
323	G	49.9	Very low	81.2	Confident	11 Å²	11	36.1 Å²	36.1	11%	0.113	23%	0.225	C	C	.	.			trans	-87.2	152.9	172.6	0	0	0	0	0	112.3	T321 T325 G326	T321-G323 PolarHBondContact O-N 2.67Å; G323-T325 PolarHBondContact O-N 2.9Å; G323-G326 PolarHBondContact O-N 2.63Å; G323-G326 VanDerWaalsContact O-N 3.17Å
324	S	44.9	Very low	81.2	Confident	105 Å²	105	34.1 Å²	34.1	73%	0.734	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.9	170.5	51	0	0	0	0	112.7
325	T	47.7	Very low	81.2	Confident	102 Å²	102	32.7 Å²	32.7	63%	0.626	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5.4	179.8	60.8	0	0	0	0	114.8	G323 K327 R540	G323-T325 PolarHBondContact O-N 2.9Å; T325-K327 PolarHBondContact O-N 3.06Å; T325-R540 PolarHBondContact OG1-NH2 3.24Å
326	G	49.8	Very low	81.2	Confident	61 Å²	61	30.1 Å²	30.1	63%	0.629	19%	0.191	S	C	*	.	S	Bend	trans	89.2	-37.2	174.9	0	0	0	0	0	115.7	G323	G323-G326 PolarHBondContact O-N 2.63Å; G323-G326 VanDerWaalsContact O-N 3.17Å
327	K	61.1	Low	81.2	Confident	159 Å²	159	30 Å²	30	69%	0.691	19%	0.191	S	C	*	.	S	Bend	trans	-75.5	135.1	174.2	-71	-170.7	177.7	-173.9	0	111.7	T325 R540	T325-K327 PolarHBondContact O-N 3.06Å; K327-R540 PolarHBondContact O-NH1 2.93Å; K327-R540 PolarHBondContact O-NH2 3.01Å
328	P	68.4	Low	81.2	Confident	18 Å²	18	30.1 Å²	30.1	12%	0.117	19%	0.191	C	C	.	.			trans	-52	151.4	173.2	-26.4	35.1	0	0	0	112.8	Y320 T321 R540	Y320-P328 HydrophobicContact CD1-CB 3.58Å; Y320-P328 HydrophobicContact CE1-CB 4.36Å; Y320-P328 HydrophobicContact CG-CB 4.34Å; T321-P328 CarbonylContact O-C 3.42Å; T321-P328 WeakPolarHBondContact O-CA 3.39Å; P328-R540 PolarHBondContact O-NH1 2.68Å
329	K	82.7	Confident	81.2	Confident	18 Å²	18	30 Å²	30	8%	0.078	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.6	174.7	-69.2	-179.8	-58.9	169	0	108.6	Y320 T321 V331 E474 V534 R540 Y545	Y320-K329 CarbonylContact C-O 3.55Å; Y320-K329 VanDerWaalsContact CA-O 3.31Å; Y320-K329 WeakPolarHBondContact CA-O 3.32Å; T321-K329 PolarHBondContact N-O 3.13Å; T321-K329 PolarHBondContact O-N 3.18Å; T321-K329 WeakPolarHBondContact OG1-CE 3.31Å; K329-V331 PolarHBondContact O-N 2.96Å; K329-V331 VanDerWaalsContact O-N 3.13Å; K329-E474 IonicContact NZ-OE1 3.75Å; K329-E474 PolarHBondContact NZ-OE1 2.95Å; K329-V534 HydrophobicContact CB-CG1 4.36Å; K329-R540 VanDerWaalsContact CG-NH1 3.34Å; K329-R540 VanDerWaalsContact CG-NH2 3.32Å; K329-Y545 PolarHBondContact NZ-OH 3.38Å
330	G	92.6	Very high	81.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	94	173.7	0	0	0	0	0	110.8	I318 V534 Y535	I318-G330 VanDerWaalsContact CG2-CA 3.45Å; G330-V534 CarbonylContact O-C 3.6Å; G330-V534 WeakPolarHBondContact O-CA 3.23Å; G330-Y535 PolarHBondContact O-N 3.15Å
331	V	97	Very high	81.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.6	178	176.7	0	0	0	0	109.2	I318 L319 T321 K329 T473 E474 M531	I318-V331 WeakPolarHBondContact CA-O 3.08Å; L319-V331 PolarHBondContact N-O 3.48Å; L319-V331 WeakPolarHBondContact O-CB 3.31Å; L319-V331 PolarHBondContact O-N 3.17Å; T321-V331 HydrophobicContact CG2-CG2 3.98Å; K329-V331 PolarHBondContact O-N 2.96Å; K329-V331 VanDerWaalsContact O-N 3.13Å; V331-T473 HydrophobicContact CB-CG2 4.02Å; V331-T473 HydrophobicContact CG1-CG2 4.12Å; V331-T473 HydrophobicContact CG2-CG2 4.09Å; V331-E474 HydrophobicContact CG1-CG 4.39Å; V331-E474 HydrophobicContact CG2-CG 4.11Å; V331-M531 HydrophobicContact CG1-CB 3.57Å; V331-M531 HydrophobicContact CG1-CG 4.25Å; V331-M531 HydrophobicContact CG1-SD 3.85Å
332	V	98.8	Very high	83.1	Confident	6 Å²	6	28.4 Å²	28.4	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.7	-177.5	-176.6	0	0	0	0	111.3	P315 I318 M531 R532 T533 Y535	P315-V332 HydrophobicContact CB-CG1 4Å; P315-V332 HydrophobicContact CG-CG1 4.49Å; I318-V332 HydrophobicContact CG1-CG2 4.26Å; V332-M531 WeakPolarHBondContact O-CA 3.33Å; V332-M531 WeakPolarHBondContact O-CB 3.49Å; V332-R532 PolarHBondContact O-N 2.94Å; V332-T533 HydrophobicContact CB-CG2 3.82Å; V332-T533 HydrophobicContact CG1-CG2 4.39Å; V332-T533 HydrophobicContact CG2-CG2 3.76Å; V332-T533 PolarHBondContact N-O 3.01Å; V332-Y535 HydrophobicContact CG2-CD2 4.28Å
333	H	98.9	Very high	84.7	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.7	169.7	-77.6	-79.5	0	0	0	110.9	L316 F317 Y338 T473 G476 G529 M531	L316-H333 PolarHBondContact N-O 3.33Å; F317-H333 HydrophobicContact CD1-CB 4.21Å; F317-H333 HydrophobicContact CE1-CB 3.64Å; F317-H333 HydrophobicContact CE2-CB 4.09Å; F317-H333 AromaticContact CE2-CD2 3.51Å; F317-H333 HydrophobicContact CZ-CB 3.57Å; F317-H333 AromaticContact CZ-CD2 3.34Å; F317-H333 WeakPolarHBondContact CZ-CD2 3.3Å; F317-H333 AromaticContact CZ-CG 3.62Å; F317-H333 PolarHBondContact O-N 2.98Å; H333-Y338 HydrophobicContact CB-CD2 3.96Å; H333-Y338 HydrophobicContact CB-CG 4.38Å; H333-Y338 AromaticContact CG-CD2 3.79Å; H333-Y338 AromaticContact ND1-CD2 3.62Å; H333-T473 PolarHBondContact NE2-O 2.98Å; H333-G476 VanDerWaalsContact CE1-CA 3.41Å; H333-G476 WeakPolarHBondContact CE1-CA 3.37Å; H333-G529 PolarHBondContact CE1-O 2.88Å; H333-G529 PolarHBondContact ND1-O 2.76Å; H333-M531 PolarHBondContact CE1-N 2.8Å
334	T	98.8	Very high	87.1	Confident	4 Å²	4	24 Å²	24	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	164	-177.2	55.3	0	0	0	0	112.4	E313 D314 Y338 R532	E313-T334 VanDerWaalsContact O-CG2 3.22Å; E313-T334 WeakPolarHBondContact O-CG2 3.34Å; E313-T334 PolarHBondContact OE2-OG1 2.8Å; D314-T334 VanDerWaalsContact O-CA 3.27Å; D314-T334 WeakPolarHBondContact O-CA 3.5Å; D314-T334 WeakPolarHBondContact O-CB 3.41Å; T334-Y338 WeakPolarHBondContact O-CB 3.19Å; T334-Y338 PolarHBondContact O-N 3.37Å; T334-R532 HydrophobicContact CG2-CB 4.31Å; T334-R532 HydrophobicContact CG2-CG 3.52Å; T334-R532 PolarHBondContact OG1-NE 3.49Å; T334-R532 PolarHBondContact OG1-NH2 3.3Å
335	V	98.8	Very high	89.6	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-61	-165.5	176.1	0	0	0	0	113.9	T120 M122 L310 A312 D314 L316 L339	T120-V335 HydrophobicContact CG2-CG1 3.72Å; M122-V335 HydrophobicContact CB-CG1 4.37Å; L310-V335 HydrophobicContact CB-CG2 4.27Å; L310-V335 HydrophobicContact CD1-CG2 3.88Å; A312-V335 PolarHBondContact O-N 2.92Å; D314-V335 HydrophobicContact CB-CG2 4.38Å; D314-V335 PolarHBondContact O-N 2.7Å; L316-V335 HydrophobicContact CB-CG2 4.36Å; V335-L339 WeakPolarHBondContact O-CB 3.46Å; V335-L339 PolarHBondContact O-N 3.03Å; V335-L339 VanDerWaalsContact O-N 3.16Å
336	A	98.3	Very high	92.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.3	-56.5	-166.3	0	0	0	0	0	112.3	W90 M115 A312 Y338 L339 L340	W90-A336 HydrophobicContact CH2-CB 3.59Å; W90-A336 HydrophobicContact CZ3-CB 3.96Å; M115-A336 HydrophobicContact CB-CB 4.45Å; A312-A336 HydrophobicContact CB-CB 3.47Å; A312-A336 VanDerWaalsContact CB-CB 3.47Å; A312-A336 PolarHBondContact O-N 2.7Å; A336-Y338 VanDerWaalsContact C-N 3.29Å; A336-Y338 PolarHBondContact O-N 3.16Å; A336-L339 WeakPolarHBondContact O-CB 3.43Å; A336-L339 PolarHBondContact O-N 2.91Å; A336-L340 WeakPolarHBondContact O-CG 3.4Å; A336-L340 PolarHBondContact O-N 3.37Å
337	G	98.4	Very high	94.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-37.4	-174.9	0	0	0	0	0	112.7	Y341 P528	G337-Y341 VanDerWaalsContact O-CB 3.29Å; G337-Y341 WeakPolarHBondContact O-CB 3.28Å; G337-Y341 PolarHBondContact O-N 3.26Å; G337-Y341 VanDerWaalsContact O-N 3.1Å; G337-P528 CarbonylContact C-O 3.59Å; G337-P528 VanDerWaalsContact CA-O 3.25Å; G337-P528 WeakPolarHBondContact CA-O 3.32Å; G337-P528 CarbonylContact O-C 3.5Å; G337-P528 WeakPolarHBondContact O-CB 3.31Å
338	Y	98.9	Very high	96.2	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.008	3%	0.032	C	C	.	.	H	α-helix	trans	-68.2	-40.4	176.6	-171.7	-92.8	0	0	0	112.2	M122 L316 F317 H333 T334 A336 T342 I367 H370 S371 Y375	M122-Y338 HydrophobicContact CE-CD1 3.94Å; L316-Y338 HydrophobicContact CD2-CD1 3.77Å; L316-Y338 HydrophobicContact CD2-CE1 4.27Å; L316-Y338 HydrophobicContact CD2-CG 4.44Å; F317-Y338 HydrophobicContact CE1-CD1 4.2Å; F317-Y338 HydrophobicContact CE1-CD2 4.11Å; F317-Y338 AromaticContact CE1-CE1 3.8Å; F317-Y338 HydrophobicContact CE1-CE1 3.8Å; F317-Y338 AromaticContact CE1-CE2 3.72Å; F317-Y338 HydrophobicContact CE1-CE2 3.72Å; F317-Y338 HydrophobicContact CE1-CG 4.33Å; F317-Y338 AromaticContact CE1-CZ 3.53Å; F317-Y338 HydrophobicContact CZ-CD2 4.29Å; F317-Y338 AromaticContact CZ-CE2 3.69Å; F317-Y338 HydrophobicContact CZ-CE2 3.69Å; F317-Y338 AromaticContact CZ-CZ 3.81Å; H333-Y338 HydrophobicContact CB-CD2 3.96Å; H333-Y338 HydrophobicContact CB-CG 4.38Å; H333-Y338 AromaticContact CG-CD2 3.79Å; H333-Y338 AromaticContact ND1-CD2 3.62Å; T334-Y338 WeakPolarHBondContact O-CB 3.19Å; T334-Y338 PolarHBondContact O-N 3.37Å; A336-Y338 VanDerWaalsContact C-N 3.29Å; A336-Y338 PolarHBondContact O-N 3.16Å; Y338-T342 HydrophobicContact CD1-CG2 4.1Å; Y338-T342 HydrophobicContact CD2-CG2 4.23Å; Y338-T342 HydrophobicContact CE1-CG2 3.75Å; Y338-T342 HydrophobicContact CE2-CG2 3.88Å; Y338-T342 HydrophobicContact CG-CG2 4.33Å; Y338-T342 WeakPolarHBondContact O-CB 3.21Å; Y338-T342 WeakPolarHBondContact O-CG2 3.33Å; Y338-T342 PolarHBondContact O-N 3.35Å; Y338-T342 PolarHBondContact O-OG1 2.92Å; Y338-I367 HydrophobicContact CE2-CD1 4.39Å; Y338-H370 WeakPolarHBondContact OH-CB 3.26Å; Y338-S371 VanDerWaalsContact OH-CA 3.26Å; Y338-S371 WeakPolarHBondContact OH-CA 3.44Å; Y338-S371 PolarHBondContact OH-N 3.08Å; Y338-S371 VanDerWaalsContact OH-N 3.16Å; Y338-S371 PolarHBondContact OH-OG 3.06Å; Y338-Y375 HydrophobicContact CD1-CD2 4.41Å; Y338-Y375 AromaticContact CE1-CD2 3.45Å; Y338-Y375 HydrophobicContact CE1-CD2 3.45Å; Y338-Y375 VanDerWaalsContact CE1-CD2 3.45Å; Y338-Y375 HydrophobicContact CE1-CE2 4.17Å; Y338-Y375 AromaticContact CE1-CG 3.86Å; Y338-Y375 HydrophobicContact CE1-CG 3.86Å
339	L	98.9	Very high	97.6	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.2	-53.9	174.1	174.9	58.4	0	0	0	111.6	F88 M122 N125 V126 V335 A336 Y341 T342 F343 A379	F88-L339 HydrophobicContact CD1-CD1 4.19Å; F88-L339 HydrophobicContact CD1-CD2 3.81Å; F88-L339 HydrophobicContact CD1-CG 4.14Å; F88-L339 HydrophobicContact CD2-CD2 4.49Å; F88-L339 HydrophobicContact CE1-CD1 3.62Å; F88-L339 HydrophobicContact CE1-CD2 4.08Å; F88-L339 HydrophobicContact CE1-CG 3.91Å; F88-L339 HydrophobicContact CE2-CG 4.29Å; F88-L339 HydrophobicContact CG-CD2 4.01Å; F88-L339 HydrophobicContact CG-CG 4.42Å; F88-L339 HydrophobicContact CZ-CD1 3.89Å; F88-L339 HydrophobicContact CZ-CG 3.98Å; M122-L339 HydrophobicContact CE-CB 3.61Å; M122-L339 HydrophobicContact CE-CD1 4.24Å; M122-L339 HydrophobicContact CE-CG 4.45Å; M122-L339 HydrophobicContact SD-CB 4.19Å; M122-L339 HydrophobicContact SD-CD1 3.75Å; M122-L339 HydrophobicContact SD-CG 4.42Å; N125-L339 HydrophobicContact CB-CD2 3.96Å; V126-L339 HydrophobicContact CG1-CD1 4.15Å; V335-L339 WeakPolarHBondContact O-CB 3.46Å; V335-L339 PolarHBondContact O-N 3.03Å; V335-L339 VanDerWaalsContact O-N 3.16Å; A336-L339 WeakPolarHBondContact O-CB 3.43Å; A336-L339 PolarHBondContact O-N 2.91Å; L339-Y341 VanDerWaalsContact C-N 3.31Å; L339-Y341 PolarHBondContact O-N 2.97Å; L339-T342 PolarHBondContact O-OG1 2.8Å; L339-F343 VanDerWaalsContact O-CB 3.25Å; L339-F343 WeakPolarHBondContact O-CB 3.4Å; L339-F343 PolarHBondContact O-N 3.25Å; L339-A379 HydrophobicContact CD1-CB 3.98Å
340	L	98.8	Very high	98.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.1	-44.2	-177.5	-61.6	-172.4	0	0	0	111.7	V84 A85 F88 W90 M98 M115 A336 L344	V84-L340 HydrophobicContact CG1-CB 4.25Å; V84-L340 HydrophobicContact CG1-CD2 4.26Å; A85-L340 HydrophobicContact CB-CD1 4.03Å; A85-L340 HydrophobicContact CB-CD2 4.03Å; F88-L340 HydrophobicContact CD2-CD2 3.52Å; F88-L340 HydrophobicContact CE2-CD2 3.7Å; W90-L340 HydrophobicContact CZ2-CD2 4.27Å; M98-L340 HydrophobicContact SD-CD1 4.42Å; M115-L340 HydrophobicContact SD-CD1 3.74Å; A336-L340 WeakPolarHBondContact O-CG 3.4Å; A336-L340 PolarHBondContact O-N 3.37Å; L340-L344 WeakPolarHBondContact O-CB 3.35Å; L340-L344 PolarHBondContact O-N 3.1Å; L340-L344 VanDerWaalsContact O-N 3.16Å
341	Y	98.9	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-71.4	-47.7	-173.9	-157.7	-110	0	0	0	111.6	W81 G337 L339 F343 L344 T345 H478 F498 V501 W527	W81-Y341 AromaticContact CH2-CD2 3.54Å; W81-Y341 HydrophobicContact CH2-CD2 3.54Å; W81-Y341 AromaticContact CH2-CE2 3.81Å; W81-Y341 HydrophobicContact CH2-CE2 3.81Å; W81-Y341 HydrophobicContact CZ2-CD2 4.17Å; W81-Y341 HydrophobicContact CZ2-CE2 4.19Å; W81-Y341 HydrophobicContact CZ3-CD2 4.23Å; G337-Y341 VanDerWaalsContact O-CB 3.29Å; G337-Y341 WeakPolarHBondContact O-CB 3.28Å; G337-Y341 PolarHBondContact O-N 3.26Å; G337-Y341 VanDerWaalsContact O-N 3.1Å; L339-Y341 VanDerWaalsContact C-N 3.31Å; L339-Y341 PolarHBondContact O-N 2.97Å; Y341-F343 VanDerWaalsContact C-N 3.34Å; Y341-F343 PolarHBondContact O-N 3.03Å; Y341-L344 PolarHBondContact O-N 3.42Å; Y341-T345 HydrophobicContact CD1-CG2 4Å; Y341-T345 HydrophobicContact CE1-CG2 3.73Å; Y341-T345 HydrophobicContact CE2-CG2 4.44Å; Y341-T345 HydrophobicContact CG-CG2 4.44Å; Y341-T345 WeakPolarHBondContact O-CB 3.24Å; Y341-T345 WeakPolarHBondContact O-CG2 3.34Å; Y341-T345 PolarHBondContact O-N 2.9Å; Y341-T345 PolarHBondContact O-OG1 2.87Å; Y341-H478 WeakPolarHBondContact CE1-O 3.26Å; Y341-H478 PolarHBondContact OH-O 2.94Å; Y341-F498 HydrophobicContact CE2-CD1 4.13Å; Y341-V501 VanDerWaalsContact OH-CG2 3.22Å; Y341-V501 WeakPolarHBondContact OH-CG2 3.49Å; Y341-W527 AromaticContact CD1-CD1 3.93Å; Y341-W527 AromaticContact CD2-CD1 3.83Å; Y341-W527 AromaticContact CE1-CD1 3.55Å; Y341-W527 AromaticContact CE1-NE1 3.75Å; Y341-W527 HydrophobicContact CE2-CB 4.07Å; Y341-W527 AromaticContact CE2-CD1 3.45Å; Y341-W527 VanDerWaalsContact CE2-CD1 3.45Å; Y341-W527 HydrophobicContact CE2-CG 4Å; Y341-W527 AromaticContact CZ-CD1 3.31Å; Y341-W527 AromaticContact CZ-NE1 3.85Å
342	T	98.9	Very high	98.7	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.025	C	C	.	.	H	α-helix	trans	-67.1	-33.6	180	55.8	0	0	0	0	112.8	Y338 L339 T345 F346 G376	Y338-T342 HydrophobicContact CD1-CG2 4.1Å; Y338-T342 HydrophobicContact CD2-CG2 4.23Å; Y338-T342 HydrophobicContact CE1-CG2 3.75Å; Y338-T342 HydrophobicContact CE2-CG2 3.88Å; Y338-T342 HydrophobicContact CG-CG2 4.33Å; Y338-T342 WeakPolarHBondContact O-CB 3.21Å; Y338-T342 WeakPolarHBondContact O-CG2 3.33Å; Y338-T342 PolarHBondContact O-N 3.35Å; Y338-T342 PolarHBondContact O-OG1 2.92Å; L339-T342 PolarHBondContact O-OG1 2.8Å; T342-T345 PolarHBondContact O-OG1 2.95Å; T342-F346 WeakPolarHBondContact O-CB 3.35Å; T342-F346 PolarHBondContact O-N 3.24Å; T342-F346 VanDerWaalsContact O-N 3.11Å; T342-G376 WeakPolarHBondContact O-CA 3.23Å
343	F	98.9	Very high	98.6	Very high	11 Å²	11	7.8 Å²	7.8	5%	0.048	4%	0.037	C	C	.	.	H	α-helix	trans	-60	-53.4	171.3	166.1	-102.5	0	0	0	112	V84 E87 F88 L339 Y341 K347 A379 N380	V84-F343 HydrophobicContact CG1-CD1 3.88Å; V84-F343 HydrophobicContact CG1-CE1 4.21Å; E87-F343 HydrophobicContact CB-CE1 4.44Å; E87-F343 HydrophobicContact CB-CZ 4.35Å; E87-F343 HydrophobicContact CG-CE1 4.08Å; E87-F343 HydrophobicContact CG-CZ 4.1Å; F88-F343 HydrophobicContact CE1-CD2 4.43Å; F88-F343 HydrophobicContact CE2-CB 4.16Å; F88-F343 AromaticContact CE2-CD1 3.85Å; F88-F343 HydrophobicContact CE2-CD1 3.85Å; F88-F343 HydrophobicContact CE2-CD2 4.46Å; F88-F343 HydrophobicContact CE2-CE1 4.33Å; F88-F343 AromaticContact CE2-CG 3.92Å; F88-F343 HydrophobicContact CE2-CG 3.92Å; F88-F343 HydrophobicContact CZ-CB 3.6Å; F88-F343 AromaticContact CZ-CD1 3.85Å; F88-F343 HydrophobicContact CZ-CD1 3.85Å; F88-F343 AromaticContact CZ-CD2 3.66Å; F88-F343 HydrophobicContact CZ-CD2 3.66Å; F88-F343 HydrophobicContact CZ-CE1 4.41Å; F88-F343 HydrophobicContact CZ-CE2 4.24Å; F88-F343 AromaticContact CZ-CG 3.43Å; F88-F343 HydrophobicContact CZ-CG 3.43Å; F88-F343 VanDerWaalsContact CZ-CG 3.43Å; L339-F343 VanDerWaalsContact O-CB 3.25Å; L339-F343 WeakPolarHBondContact O-CB 3.4Å; L339-F343 PolarHBondContact O-N 3.25Å; Y341-F343 VanDerWaalsContact C-N 3.34Å; Y341-F343 PolarHBondContact O-N 3.03Å; F343-K347 HydrophobicContact CE1-CD 4.42Å; F343-K347 HydrophobicContact CZ-CD 4.06Å; F343-K347 VanDerWaalsContact O-CB 3.31Å; F343-K347 WeakPolarHBondContact O-CB 3.4Å; F343-K347 PolarHBondContact O-N 3.49Å; F343-A379 HydrophobicContact CB-CB 4.11Å; F343-A379 HydrophobicContact CD2-CB 4.09Å; F343-N380 WeakPolarHBondContact CD2-ND2 3.39Å; F343-N380 WeakPolarHBondContact CD2-OD1 3.31Å; F343-N380 WeakPolarHBondContact CE2-OD1 3.03Å; F343-N380 PolarHBondContact O-ND2 2.87Å
344	L	98.9	Very high	98.3	Very high	14 Å²	14	12.9 Å²	12.9	7%	0.073	6%	0.06	C	C	.	.	H	α-helix	trans	-70.6	-42.3	-174.2	-173.2	66.6	0	0	0	111.7	F80 W81 V84 L340 Y341 K347 C348 F498 F499	F80-L344 HydrophobicContact CE1-CD2 3.87Å; F80-L344 HydrophobicContact CZ-CD2 4.07Å; W81-L344 HydrophobicContact CE3-CD2 4.5Å; W81-L344 HydrophobicContact CH2-CD2 3.82Å; W81-L344 HydrophobicContact CZ3-CD2 3.59Å; V84-L344 HydrophobicContact CG1-CB 4.3Å; V84-L344 HydrophobicContact CG2-CD1 4.38Å; V84-L344 HydrophobicContact CG2-CD2 3.96Å; L340-L344 WeakPolarHBondContact O-CB 3.35Å; L340-L344 PolarHBondContact O-N 3.1Å; L340-L344 VanDerWaalsContact O-N 3.16Å; Y341-L344 PolarHBondContact O-N 3.42Å; L344-K347 PolarHBondContact O-N 2.92Å; L344-C348 PolarHBondContact O-N 2.58Å; L344-F498 HydrophobicContact CD2-CE1 4.14Å; L344-F498 HydrophobicContact CD2-CZ 4.37Å; L344-F498 HydrophobicContact CG-CE1 4.15Å; L344-F498 HydrophobicContact CG-CZ 4.01Å; L344-F499 HydrophobicContact CD2-CD2 4.05Å
345	T	98.9	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-44.6	177.7	57.2	0	0	0	0	111	Y341 T342 V349 Y372 H478 F498	Y341-T345 HydrophobicContact CD1-CG2 4Å; Y341-T345 HydrophobicContact CE1-CG2 3.73Å; Y341-T345 HydrophobicContact CE2-CG2 4.44Å; Y341-T345 HydrophobicContact CG-CG2 4.44Å; Y341-T345 WeakPolarHBondContact O-CB 3.24Å; Y341-T345 WeakPolarHBondContact O-CG2 3.34Å; Y341-T345 PolarHBondContact O-N 2.9Å; Y341-T345 PolarHBondContact O-OG1 2.87Å; T342-T345 PolarHBondContact O-OG1 2.95Å; T345-V349 WeakPolarHBondContact O-CB 3.16Å; T345-V349 WeakPolarHBondContact O-CG2 3.43Å; T345-V349 PolarHBondContact O-N 2.94Å; T345-Y372 WeakPolarHBondContact CB-OH 3.47Å; T345-Y372 WeakPolarHBondContact OG1-CE1 3.44Å; T345-Y372 PolarHBondContact OG1-OH 2.96Å; T345-H478 HydrophobicContact CG2-CB 4.2Å; T345-F498 HydrophobicContact CG2-CD1 3.54Å; T345-F498 HydrophobicContact CG2-CE1 3.32Å; T345-F498 HydrophobicContact CG2-CE2 4.47Å; T345-F498 HydrophobicContact CG2-CG 4.22Å; T345-F498 HydrophobicContact CG2-CZ 3.85Å
346	F	98.9	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-50.7	176.3	176.4	-94.3	0	0	0	111.2	T342 C348 F350 Y352 Y358 Y372 P377 N380 A382	T342-F346 WeakPolarHBondContact O-CB 3.35Å; T342-F346 PolarHBondContact O-N 3.24Å; T342-F346 VanDerWaalsContact O-N 3.11Å; F346-C348 PolarHBondContact O-N 2.92Å; F346-F350 AromaticContact CD2-CD2 3.67Å; F346-F350 HydrophobicContact CD2-CD2 3.67Å; F346-F350 HydrophobicContact CD2-CE2 4.2Å; F346-F350 HydrophobicContact CE2-CD2 4.05Å; F346-F350 HydrophobicContact CG-CD2 4.38Å; F346-F350 PolarHBondContact O-N 2.74Å; F346-Y352 HydrophobicContact CD1-CG 4.36Å; F346-Y352 AromaticContact CE1-CD1 3.79Å; F346-Y352 HydrophobicContact CE1-CD1 3.79Å; F346-Y352 AromaticContact CE1-CD2 3.72Å; F346-Y352 HydrophobicContact CE1-CD2 3.72Å; F346-Y352 HydrophobicContact CE1-CE2 4.46Å; F346-Y352 AromaticContact CE1-CG 3.38Å; F346-Y352 HydrophobicContact CE1-CG 3.38Å; F346-Y352 AromaticContact CZ-CD2 3.65Å; F346-Y352 HydrophobicContact CZ-CD2 3.65Å; F346-Y352 HydrophobicContact CZ-CE2 4.27Å; F346-Y352 AromaticContact CZ-CG 3.83Å; F346-Y352 HydrophobicContact CZ-CG 3.83Å; F346-Y358 HydrophobicContact CD2-CE2 4.4Å; F346-Y358 AromaticContact CE2-CD1 3.93Å; F346-Y358 HydrophobicContact CE2-CD1 3.93Å; F346-Y358 AromaticContact CE2-CD2 3.58Å; F346-Y358 HydrophobicContact CE2-CD2 3.58Å; F346-Y358 HydrophobicContact CE2-CE1 4.03Å; F346-Y358 AromaticContact CE2-CE2 3.68Å; F346-Y358 HydrophobicContact CE2-CE2 3.68Å; F346-Y358 AromaticContact CE2-CG 3.72Å; F346-Y358 HydrophobicContact CE2-CG 3.72Å; F346-Y358 AromaticContact CE2-CZ 3.88Å; F346-Y358 HydrophobicContact CZ-CD1 4.44Å; F346-Y358 HydrophobicContact CZ-CD2 4.06Å; F346-Y358 AromaticContact CZ-CG 3.98Å; F346-Y358 HydrophobicContact CZ-CG 3.98Å; F346-Y372 HydrophobicContact CB-CD1 4.32Å; F346-Y372 HydrophobicContact CB-CE1 4.33Å; F346-Y372 HydrophobicContact CD2-CD1 4.31Å; F346-P377 HydrophobicContact CD2-CB 4.33Å; F346-P377 HydrophobicContact CD2-CG 3.79Å; F346-P377 HydrophobicContact CE1-CB 4.33Å; F346-P377 HydrophobicContact CE2-CB 3.82Å; F346-P377 HydrophobicContact CE2-CG 3.55Å; F346-P377 HydrophobicContact CZ-CB 3.81Å; F346-P377 HydrophobicContact CZ-CG 4.09Å; F346-N380 HydrophobicContact CD1-CB 3.84Å; F346-N380 WeakPolarHBondContact CD1-ND2 3.44Å; F346-N380 HydrophobicContact CE1-CB 3.86Å; F346-A382 HydrophobicContact CE1-CB 4Å; F346-A382 HydrophobicContact CZ-CB 3.9Å
347	K	98.7	Very high	98.1	Very high	49 Å²	49	20.9 Å²	20.9	21%	0.213	10%	0.104	C	C	.	.	H	α-helix	trans	-56.1	-50.5	-177.8	-173.3	172.1	-179.7	173.9	0	112.3	H59 F343 L344 D351 Y352 N380	H59-K347 PolarHBondContact CD2-O 3.08Å; H59-K347 WeakPolarHBondContact CE1-CE 3.2Å; H59-K347 VanDerWaalsContact ND1-CE 3.34Å; H59-K347 WeakPolarHBondContact ND1-CE 3.23Å; F343-K347 HydrophobicContact CE1-CD 4.42Å; F343-K347 HydrophobicContact CZ-CD 4.06Å; F343-K347 VanDerWaalsContact O-CB 3.31Å; F343-K347 WeakPolarHBondContact O-CB 3.4Å; F343-K347 PolarHBondContact O-N 3.49Å; L344-K347 PolarHBondContact O-N 2.92Å; K347-D351 CarbonylContact O-C 3.59Å; K347-D351 WeakPolarHBondContact O-CA 3.43Å; K347-D351 PolarHBondContact O-N 3.04Å; K347-Y352 PolarHBondContact O-N 3.02Å; K347-N380 WeakPolarHBondContact CB-OD1 3.49Å
348	C	98.6	Very high	98.1	Very high	8 Å²	8	21 Å²	21	5%	0.054	10%	0.104	C	C	.	.	H	α-helix	trans	-83	-38.2	-173.7	-65.4	0	0	0	0	113.6	L344 F346 D351 L483 F498	L344-C348 PolarHBondContact O-N 2.58Å; F346-C348 PolarHBondContact O-N 2.92Å; C348-D351 PolarHBondContact O-N 2.97Å; C348-L483 HydrophobicContact CB-CD2 4.14Å; C348-F498 HydrophobicContact CB-CE2 3.99Å; C348-F498 HydrophobicContact CB-CZ 4.16Å
349	V	98.8	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-77.1	-34.1	-174.2	177.5	0	0	0	0	111.7	T345 V467 T469 H478 T481 L483 P484 F498	T345-V349 WeakPolarHBondContact O-CB 3.16Å; T345-V349 WeakPolarHBondContact O-CG2 3.43Å; T345-V349 PolarHBondContact O-N 2.94Å; V349-V467 HydrophobicContact CG1-CB 4.27Å; V349-V467 HydrophobicContact CG1-CG2 3.99Å; V349-T469 HydrophobicContact CG1-CG2 3.9Å; V349-H478 HydrophobicContact CG2-CB 4.48Å; V349-T481 HydrophobicContact CG1-CG2 4.39Å; V349-T481 WeakPolarHBondContact CG1-OG1 3.31Å; V349-T481 HydrophobicContact CG2-CG2 3.58Å; V349-L483 HydrophobicContact CG2-CD2 3.97Å; V349-P484 WeakPolarHBondContact O-CD 3.43Å; V349-F498 HydrophobicContact CG2-CD2 4.04Å; V349-F498 HydrophobicContact CG2-CE2 3.8Å
350	F	98.6	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.8	173.5	-61.3	-66	0	0	0	113.1	F346 Y352 Y358 Y372 K410 Y412 I439 V467 H478	F346-F350 AromaticContact CD2-CD2 3.67Å; F346-F350 HydrophobicContact CD2-CD2 3.67Å; F346-F350 HydrophobicContact CD2-CE2 4.2Å; F346-F350 HydrophobicContact CE2-CD2 4.05Å; F346-F350 HydrophobicContact CG-CD2 4.38Å; F346-F350 PolarHBondContact O-N 2.74Å; F350-Y352 PolarHBondContact O-N 2.84Å; F350-Y358 HydrophobicContact CB-CE2 4.45Å; F350-Y358 AromaticContact CD1-CE2 3.86Å; F350-Y358 HydrophobicContact CD1-CE2 3.86Å; F350-Y358 HydrophobicContact CD2-CD2 4.47Å; F350-Y358 AromaticContact CD2-CE2 3.68Å; F350-Y358 HydrophobicContact CD2-CE2 3.68Å; F350-Y358 AromaticContact CE1-CE2 3.97Å; F350-Y358 HydrophobicContact CE1-CE2 3.97Å; F350-Y358 AromaticContact CE2-CE2 3.78Å; F350-Y358 HydrophobicContact CE2-CE2 3.78Å; F350-Y358 WeakPolarHBondContact CE2-OH 3.22Å; F350-Y358 HydrophobicContact CG-CD2 4.28Å; F350-Y358 AromaticContact CG-CE2 3.72Å; F350-Y358 HydrophobicContact CG-CE2 3.72Å; F350-Y358 AromaticContact CZ-CE2 3.93Å; F350-Y358 HydrophobicContact CZ-CE2 3.93Å; F350-Y372 HydrophobicContact CE2-CD1 4.17Å; F350-K410 WeakPolarHBondContact O-CD 3.19Å; F350-K410 PolarHBondContact O-NZ 3.43Å; F350-K410 VanDerWaalsContact O-NZ 3.13Å; F350-Y412 HydrophobicContact CE1-CD1 4.47Å; F350-Y412 AromaticContact CE1-CD2 3.86Å; F350-Y412 HydrophobicContact CE1-CD2 3.86Å; F350-Y412 HydrophobicContact CE1-CE2 4.34Å; F350-Y412 AromaticContact CE1-CG 3.91Å; F350-Y412 HydrophobicContact CE1-CG 3.91Å; F350-Y412 AromaticContact CZ-CD1 3.75Å; F350-Y412 HydrophobicContact CZ-CD1 3.75Å; F350-Y412 AromaticContact CZ-CD2 3.74Å; F350-Y412 HydrophobicContact CZ-CD2 3.74Å; F350-Y412 AromaticContact CZ-CE1 3.93Å; F350-Y412 HydrophobicContact CZ-CE1 3.93Å; F350-Y412 AromaticContact CZ-CE2 3.91Å; F350-Y412 HydrophobicContact CZ-CE2 3.91Å; F350-Y412 AromaticContact CZ-CG 3.63Å; F350-Y412 HydrophobicContact CZ-CG 3.63Å; F350-Y412 AromaticContact CZ-CZ 3.99Å; F350-I439 HydrophobicContact CD1-CG2 4.48Å; F350-I439 WeakPolarHBondContact O-CD1 3.44Å; F350-V467 HydrophobicContact CD1-CG2 4.4Å; F350-V467 HydrophobicContact CE1-CG2 4.11Å; F350-H478 AromaticContact CE2-CE1 3.81Å
351	D	98.3	Very high	98	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.7	57.7	-175.7	-169.6	48.4	0	0	0	110.4	A58 H59 K347 C348 H353 K410 I439 P484	A58-D351 VanDerWaalsContact CA-OD1 3.26Å; A58-D351 WeakPolarHBondContact CA-OD1 3.12Å; H59-D351 IonicContact CD2-OD1 3.44Å; H59-D351 PolarHBondContact CD2-OD1 3.46Å; H59-D351 VanDerWaalsContact CD2-OD1 3.25Å; H59-D351 IonicContact CG-OD1 3.62Å; H59-D351 PolarHBondContact N-OD1 3.22Å; K347-D351 CarbonylContact O-C 3.59Å; K347-D351 WeakPolarHBondContact O-CA 3.43Å; K347-D351 PolarHBondContact O-N 3.04Å; C348-D351 PolarHBondContact O-N 2.97Å; D351-H353 PolarHBondContact O-ND1 3.26Å; D351-H353 VanDerWaalsContact O-ND1 3.08Å; D351-H353 IonicContact OD1-CE1 3.63Å; D351-H353 IonicContact OD2-CE1 2.71Å; D351-H353 PolarHBondContact OD2-CE1 3.03Å; D351-K410 PolarHBondContact O-NZ 2.93Å; D351-I439 HydrophobicContact CB-CD1 3.74Å; D351-P484 HydrophobicContact CB-CG 3.73Å
352	Y	98.3	Very high	97.6	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.039	12%	0.123	C	C	.	.			trans	-79	129.2	-167.6	-177.9	-94.7	0	0	0	110.7	H59 F346 K347 F350 D356 N380 A382 T383	H59-Y352 PolarHBondContact NE2-O 2.79Å; F346-Y352 HydrophobicContact CD1-CG 4.36Å; F346-Y352 AromaticContact CE1-CD1 3.79Å; F346-Y352 HydrophobicContact CE1-CD1 3.79Å; F346-Y352 AromaticContact CE1-CD2 3.72Å; F346-Y352 HydrophobicContact CE1-CD2 3.72Å; F346-Y352 HydrophobicContact CE1-CE2 4.46Å; F346-Y352 AromaticContact CE1-CG 3.38Å; F346-Y352 HydrophobicContact CE1-CG 3.38Å; F346-Y352 AromaticContact CZ-CD2 3.65Å; F346-Y352 HydrophobicContact CZ-CD2 3.65Å; F346-Y352 HydrophobicContact CZ-CE2 4.27Å; F346-Y352 AromaticContact CZ-CG 3.83Å; F346-Y352 HydrophobicContact CZ-CG 3.83Å; K347-Y352 PolarHBondContact O-N 3.02Å; F350-Y352 PolarHBondContact O-N 2.84Å; Y352-D356 HydrophobicContact CD2-CB 3.71Å; Y352-D356 HydrophobicContact CE2-CB 3.4Å; Y352-D356 VanDerWaalsContact CE2-CB 3.4Å; Y352-D356 WeakPolarHBondContact CE2-O 3.4Å; Y352-D356 PolarHBondContact OH-O 3.48Å; Y352-N380 HydrophobicContact CD1-CB 4.21Å; Y352-A382 HydrophobicContact CD1-CB 4.33Å; Y352-A382 HydrophobicContact CD2-CB 4.36Å; Y352-A382 HydrophobicContact CE1-CB 3.67Å; Y352-A382 HydrophobicContact CE2-CB 3.71Å; Y352-A382 VanDerWaalsContact CZ-CA 3.44Å; Y352-A382 WeakPolarHBondContact OH-CA 3.5Å; Y352-T383 PolarHBondContact OH-N 3.1Å
353	H	96.9	Very high	97.2	Very high	59 Å²	59	25.2 Å²	25.2	27%	0.273	13%	0.131	S	C	.	.			trans	-119.6	163.5	172.9	-60.9	89.5	0	0	0	111.2	D57 H59 D351 D355 D356	D57-H353 PolarHBondContact O-CE1 3.22Å; D57-H353 PolarHBondContact O-NE2 2.87Å; H59-H353 AromaticContact NE2-NE2 3.84Å; D351-H353 PolarHBondContact O-ND1 3.26Å; D351-H353 VanDerWaalsContact O-ND1 3.08Å; D351-H353 IonicContact OD1-CE1 3.63Å; D351-H353 IonicContact OD2-CE1 2.71Å; D351-H353 PolarHBondContact OD2-CE1 3.03Å; H353-D355 PolarHBondContact O-N 3.49Å; H353-D355 VanDerWaalsContact O-N 3.1Å; H353-D356 PolarHBondContact N-OD2 3.11Å; H353-D356 IonicContact ND1-OD2 3.64Å; H353-D356 VanDerWaalsContact O-CB 3.3Å; H353-D356 WeakPolarHBondContact O-CB 3.41Å; H353-D356 PolarHBondContact O-N 3.03Å
354	H	92.9	Very high	97.1	Very high	107 Å²	107	24.7 Å²	24.7	50%	0.495	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34	-169.7	-174.5	84.3	0	0	0	114.5	K139 D356	K139-H354 PolarHBondContact NZ-CE1 3.27Å; K139-H354 VanDerWaalsContact NZ-CE1 3.27Å; K139-H354 PolarHBondContact NZ-ND1 3.39Å; K139-H354 VanDerWaalsContact NZ-ND1 3.19Å; K139-H354 PolarHBondContact NZ-O 2.97Å; H354-D356 VanDerWaalsContact C-N 3.33Å
355	D	93.4	Very high	96.5	Very high	147 Å²	147	24.4 Å²	24.4	79%	0.786	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.3	-177.2	-59.5	-28.1	0	0	0	113.3	H353	H353-D355 PolarHBondContact O-N 3.49Å; H353-D355 VanDerWaalsContact O-N 3.1Å
356	D	98.3	Very high	95.8	Very high	9 Å²	9	28.2 Å²	28.2	5%	0.048	14%	0.144	C	C	.	.			trans	-77.2	142	179.6	-77.4	-46.5	0	0	0	112.2	Y352 H353 H354 T409 K410	Y352-D356 HydrophobicContact CD2-CB 3.71Å; Y352-D356 HydrophobicContact CE2-CB 3.4Å; Y352-D356 VanDerWaalsContact CE2-CB 3.4Å; Y352-D356 WeakPolarHBondContact CE2-O 3.4Å; Y352-D356 PolarHBondContact OH-O 3.48Å; H353-D356 PolarHBondContact N-OD2 3.11Å; H353-D356 IonicContact ND1-OD2 3.64Å; H353-D356 VanDerWaalsContact O-CB 3.3Å; H353-D356 WeakPolarHBondContact O-CB 3.41Å; H353-D356 PolarHBondContact O-N 3.03Å; H354-D356 VanDerWaalsContact C-N 3.33Å; D356-T409 WeakPolarHBondContact CA-OG1 3.24Å; D356-T409 VanDerWaalsContact CB-OG1 3.27Å; D356-T409 WeakPolarHBondContact CB-OG1 3.43Å; D356-T409 VanDerWaalsContact CG-OG1 3.27Å; D356-T409 WeakPolarHBondContact OD1-CB 3.36Å; D356-T409 PolarHBondContact OD1-OG1 3.47Å; D356-K410 WeakPolarHBondContact OD1-CE 3.48Å; D356-K410 IonicContact OD1-NZ 3.64Å; D356-K410 WeakPolarHBondContact OD2-CE 3.4Å; D356-K410 IonicContact OD2-NZ 3.53Å; D356-K410 PolarHBondContact OD2-NZ 3.35Å
357	V	98.9	Very high	95.7	Very high	17 Å²	17	28.7 Å²	28.7	10%	0.103	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117	166.5	179.8	0	0	0	0	108.4	Y143 T383 V385 V408 T409 K410	Y143-V357 HydrophobicContact CD2-CG1 4.48Å; Y143-V357 HydrophobicContact CE2-CG1 4.48Å; V357-T383 HydrophobicContact CG2-CG2 4.26Å; V357-V385 HydrophobicContact CG1-CG2 4.2Å; V357-V408 HydrophobicContact CG1-CG2 4.19Å; V357-T409 PolarHBondContact N-OG1 2.93Å; V357-T409 PolarHBondContact O-N 3.27Å; V357-T409 PolarHBondContact O-OG1 3.47Å; V357-K410 PolarHBondContact O-N 3.2Å
358	Y	98.9	Very high	95.6	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.1	-177.3	175.3	-92.6	0	0	0	111.2	F346 F350 C360 Y372 P377 T383 S384 V385 K410 Y412	F346-Y358 HydrophobicContact CD2-CE2 4.4Å; F346-Y358 AromaticContact CE2-CD1 3.93Å; F346-Y358 HydrophobicContact CE2-CD1 3.93Å; F346-Y358 AromaticContact CE2-CD2 3.58Å; F346-Y358 HydrophobicContact CE2-CD2 3.58Å; F346-Y358 HydrophobicContact CE2-CE1 4.03Å; F346-Y358 AromaticContact CE2-CE2 3.68Å; F346-Y358 HydrophobicContact CE2-CE2 3.68Å; F346-Y358 AromaticContact CE2-CG 3.72Å; F346-Y358 HydrophobicContact CE2-CG 3.72Å; F346-Y358 AromaticContact CE2-CZ 3.88Å; F346-Y358 HydrophobicContact CZ-CD1 4.44Å; F346-Y358 HydrophobicContact CZ-CD2 4.06Å; F346-Y358 AromaticContact CZ-CG 3.98Å; F346-Y358 HydrophobicContact CZ-CG 3.98Å; F350-Y358 HydrophobicContact CB-CE2 4.45Å; F350-Y358 AromaticContact CD1-CE2 3.86Å; F350-Y358 HydrophobicContact CD1-CE2 3.86Å; F350-Y358 HydrophobicContact CD2-CD2 4.47Å; F350-Y358 AromaticContact CD2-CE2 3.68Å; F350-Y358 HydrophobicContact CD2-CE2 3.68Å; F350-Y358 AromaticContact CE1-CE2 3.97Å; F350-Y358 HydrophobicContact CE1-CE2 3.97Å; F350-Y358 AromaticContact CE2-CE2 3.78Å; F350-Y358 HydrophobicContact CE2-CE2 3.78Å; F350-Y358 WeakPolarHBondContact CE2-OH 3.22Å; F350-Y358 HydrophobicContact CG-CD2 4.28Å; F350-Y358 AromaticContact CG-CE2 3.72Å; F350-Y358 HydrophobicContact CG-CE2 3.72Å; F350-Y358 AromaticContact CZ-CE2 3.93Å; F350-Y358 HydrophobicContact CZ-CE2 3.93Å; Y358-C360 HydrophobicContact CE1-CB 3.48Å; Y358-C360 VanDerWaalsContact CE1-CB 3.48Å; Y358-C360 WeakPolarHBondContact OH-CB 3.34Å; Y358-Y372 WeakPolarHBondContact CE1-O 3.39Å; Y358-Y372 PolarHBondContact OH-O 3.18Å; Y358-P377 HydrophobicContact CD1-CG 4.4Å; Y358-P377 HydrophobicContact CE1-CG 4.3Å; Y358-T383 PolarHBondContact N-O 3.17Å; Y358-S384 CarbonylContact O-C 3.55Å; Y358-S384 WeakPolarHBondContact O-CA 3.36Å; Y358-V385 PolarHBondContact O-N 3.35Å; Y358-K410 HydrophobicContact CD2-CB 3.72Å; Y358-K410 HydrophobicContact CD2-CG 4.44Å; Y358-K410 HydrophobicContact CE2-CB 4.43Å; Y358-Y412 WeakPolarHBondContact OH-CD1 3.22Å
359	W	98.9	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	115.6	171.7	-175.6	25.3	0	0	0	112.2	T361 V385 F387 F399 V402 I403 V408 K410 F411 Y412	W359-T361 HydrophobicContact CD2-CG2 4.22Å; W359-T361 HydrophobicContact CH2-CG2 4.44Å; W359-T361 HydrophobicContact CZ2-CG2 3.96Å; W359-V385 HydrophobicContact CB-CB 4.02Å; W359-V385 HydrophobicContact CB-CG2 4.27Å; W359-V385 HydrophobicContact CD2-CB 4.34Å; W359-V385 HydrophobicContact CD2-CG1 4.35Å; W359-V385 HydrophobicContact CG-CB 3.72Å; W359-V385 HydrophobicContact CG-CG1 4.19Å; W359-V385 HydrophobicContact CG-CG2 4.35Å; W359-F387 HydrophobicContact CZ2-CB 3.81Å; W359-F387 AromaticContact CZ2-CD1 3.9Å; W359-F387 HydrophobicContact CZ2-CD1 3.9Å; W359-F387 HydrophobicContact CZ2-CD2 4.2Å; W359-F387 AromaticContact CZ2-CG 3.71Å; W359-F387 HydrophobicContact CZ2-CG 3.71Å; W359-F399 HydrophobicContact CH2-CB 4.1Å; W359-F399 AromaticContact CH2-CD1 3.42Å; W359-F399 HydrophobicContact CH2-CD1 3.42Å; W359-F399 VanDerWaalsContact CH2-CD1 3.42Å; W359-F399 AromaticContact CH2-CE1 3.89Å; W359-F399 HydrophobicContact CH2-CE1 3.89Å; W359-F399 AromaticContact CH2-CG 3.82Å; W359-F399 HydrophobicContact CH2-CG 3.82Å; W359-F399 HydrophobicContact CZ2-CD1 4.02Å; W359-F399 HydrophobicContact CZ2-CE1 4.02Å; W359-F399 HydrophobicContact CZ3-CB 4.21Å; W359-F399 HydrophobicContact CZ3-CD1 4.32Å; W359-F399 HydrophobicContact CZ3-CG 4.3Å; W359-F399 WeakPolarHBondContact CZ3-O 3.26Å; W359-V402 HydrophobicContact CD2-CG1 4.13Å; W359-V402 HydrophobicContact CE3-CB 4.41Å; W359-V402 HydrophobicContact CE3-CG1 3.82Å; W359-V402 HydrophobicContact CH2-CB 3.64Å; W359-V402 HydrophobicContact CH2-CG1 3.55Å; W359-V402 HydrophobicContact CH2-CG2 4.19Å; W359-V402 HydrophobicContact CZ2-CB 4.36Å; W359-V402 HydrophobicContact CZ2-CG1 3.87Å; W359-V402 HydrophobicContact CZ3-CB 3.68Å; W359-V402 HydrophobicContact CZ3-CG1 3.55Å; W359-I403 HydrophobicContact CE3-CG1 3.9Å; W359-I403 HydrophobicContact CZ3-CD1 4.35Å; W359-I403 HydrophobicContact CZ3-CG1 3.88Å; W359-V408 HydrophobicContact CB-CG1 3.82Å; W359-V408 HydrophobicContact CB-CG2 4.05Å; W359-V408 HydrophobicContact CE3-CG2 4.35Å; W359-K410 PolarHBondContact N-O 3.24Å; W359-F411 HydrophobicContact CB-CD2 4.39Å; W359-F411 HydrophobicContact CD2-CD2 4.02Å; W359-F411 AromaticContact CD2-CE2 3.89Å; W359-F411 HydrophobicContact CD2-CE2 3.89Å; W359-F411 AromaticContact CE3-CD2 3.49Å; W359-F411 HydrophobicContact CE3-CD2 3.49Å; W359-F411 VanDerWaalsContact CE3-CD2 3.49Å; W359-F411 AromaticContact CE3-CE2 3.37Å; W359-F411 HydrophobicContact CE3-CE2 3.37Å; W359-F411 HydrophobicContact CG-CD2 4.41Å; W359-F411 HydrophobicContact CH2-CE2 4.24Å; W359-F411 HydrophobicContact CZ3-CD2 4.09Å; W359-F411 AromaticContact CZ3-CE2 3.55Å; W359-F411 HydrophobicContact CZ3-CE2 3.55Å; W359-F411 HydrophobicContact CZ3-CZ 4.44Å; W359-Y412 PolarHBondContact O-N 2.67Å
360	C	98.7	Very high	95.6	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	166.5	174.3	0	0	0	0	109.9	Y358 A362 I373 Y412	Y358-C360 HydrophobicContact CE1-CB 3.48Å; Y358-C360 VanDerWaalsContact CE1-CB 3.48Å; Y358-C360 WeakPolarHBondContact OH-CB 3.34Å; C360-A362 VanDerWaalsContact C-N 3.29Å; C360-A362 PolarHBondContact O-N 2.66Å; C360-A362 VanDerWaalsContact SG-CB 3.53Å; C360-A362 PolarHBondContact SG-N 3.38Å; C360-I373 HydrophobicContact CB-CD1 4.28Å; C360-I373 HydrophobicContact CB-CG1 3.63Å; C360-Y412 WeakPolarHBondContact CA-O 3.16Å; C360-Y412 HydrophobicContact CB-CD1 3.97Å; C360-Y412 VanDerWaalsContact SG-CD1 3.58Å
361	T	97.1	Very high	95.6	Very high	33 Å²	33	26.8 Å²	26.8	20%	0.202	14%	0.139	C	C	.	.			trans	-89.7	8.1	-177.8	77.6	0	0	0	0	113.3	W359 F399 F411 Y412 T413	W359-T361 HydrophobicContact CD2-CG2 4.22Å; W359-T361 HydrophobicContact CH2-CG2 4.44Å; W359-T361 HydrophobicContact CZ2-CG2 3.96Å; T361-F399 HydrophobicContact CG2-CE1 4.35Å; T361-F399 HydrophobicContact CG2-CE2 3.83Å; T361-F399 HydrophobicContact CG2-CZ 3.71Å; T361-F411 HydrophobicContact CG2-CD2 4.35Å; T361-F411 HydrophobicContact CG2-CE2 3.37Å; T361-F411 HydrophobicContact CG2-CZ 3.8Å; T361-Y412 PolarHBondContact N-O 2.92Å; T361-T413 WeakPolarHBondContact OG1-CB 3.12Å; T361-T413 PolarHBondContact OG1-OG1 2.93Å
362	A	89.9	Confident	95.6	Very high	22 Å²	22	26.6 Å²	26.6	18%	0.182	14%	0.137	C	C	.	.			trans	-70.6	162.3	180	0	0	0	0	0	111.1	M188 C360 T368 I373	M188-A362 WeakPolarHBondContact CE-O 3.46Å; C360-A362 VanDerWaalsContact C-N 3.29Å; C360-A362 PolarHBondContact O-N 2.66Å; C360-A362 VanDerWaalsContact SG-CB 3.53Å; C360-A362 PolarHBondContact SG-N 3.38Å; A362-T368 HydrophobicContact CB-CG2 3.55Å; A362-I373 HydrophobicContact CB-CD1 4.31Å; A362-I373 WeakPolarHBondContact O-CD1 3.33Å
363	D	91.3	Very high	95.6	Very high	33 Å²	33	26.3 Å²	26.3	18%	0.176	14%	0.136	C	C	.	.			trans	-91.2	140.6	168.4	-174.3	-70.4	0	0	0	109.6	M188 F210 G365 W366	M188-D363 HydrophobicContact SD-CB 4.4Å; F210-D363 HydrophobicContact CD2-CB 4.29Å; F210-D363 VanDerWaalsContact CD2-CG 3.47Å; F210-D363 WeakPolarHBondContact CD2-OD1 3.24Å; F210-D363 WeakPolarHBondContact CD2-OD2 3.17Å; F210-D363 HydrophobicContact CE2-CB 4.17Å; F210-D363 VanDerWaalsContact CE2-OD2 3.24Å; F210-D363 WeakPolarHBondContact CE2-OD2 3.29Å; D363-G365 PolarHBondContact O-N 3.33Å; D363-G365 WeakPolarHBondContact OD1-CA 3.44Å; D363-G365 PolarHBondContact OD1-N 3.12Å; D363-W366 PolarHBondContact O-N 3.12Å; D363-W366 VanDerWaalsContact O-N 3.08Å
364	I	95.6	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	-179.6	-69.8	169.2	0	0	0	112.4	M188 L192 V193 M196 V208 W366 H370 I373 L386	M188-I364 HydrophobicContact CE-CD1 4.13Å; M188-I364 HydrophobicContact CE-CG1 4Å; M188-I364 HydrophobicContact SD-CB 3.89Å; M188-I364 HydrophobicContact SD-CD1 3.97Å; M188-I364 HydrophobicContact SD-CG1 3.72Å; M188-I364 PolarHBondContact SD-N 3.12Å; L192-I364 HydrophobicContact CD1-CG2 4.12Å; L192-I364 HydrophobicContact CD2-CB 3.67Å; L192-I364 HydrophobicContact CD2-CD1 4.04Å; L192-I364 HydrophobicContact CD2-CG1 4.41Å; L192-I364 HydrophobicContact CD2-CG2 3.84Å; L192-I364 HydrophobicContact CG-CB 4.22Å; L192-I364 HydrophobicContact CG-CD1 4.11Å; L192-I364 HydrophobicContact CG-CG2 3.89Å; V193-I364 HydrophobicContact CG2-CD1 3.77Å; M196-I364 HydrophobicContact CE-CG2 4.05Å; M196-I364 HydrophobicContact SD-CG2 3.25Å; M196-I364 WeakPolarHBondContact SD-CG2 3.23Å; V208-I364 HydrophobicContact CG1-CG2 4.45Å; I364-W366 PolarHBondContact O-N 2.76Å; I364-W366 VanDerWaalsContact O-O 3.12Å; I364-H370 PolarHBondContact O-CE1 3.05Å; I364-H370 PolarHBondContact O-ND1 3.5Å; I364-I373 HydrophobicContact CD1-CG2 3.96Å; I364-I373 HydrophobicContact CG1-CB 4.22Å; I364-I373 HydrophobicContact CG1-CD1 4.18Å; I364-I373 HydrophobicContact CG1-CG2 4.12Å; I364-L386 HydrophobicContact CD1-CD1 4.01Å
365	G	85.9	Confident	96	Very high	8 Å²	8	18.4 Å²	18.4	8%	0.082	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.7	167.7	0	0	0	0	0	115.1	D363	D363-G365 PolarHBondContact O-N 3.33Å; D363-G365 WeakPolarHBondContact OD1-CA 3.44Å; D363-G365 PolarHBondContact OD1-N 3.12Å
366	W	85.7	Confident	96.3	Very high	80 Å²	80	11.4 Å²	11.4	30%	0.303	6%	0.062	S	C	.	.	S	Bend	trans	-119.1	163.6	171.6	-50.8	100.1	0	0	0	111.6	F210 F213 D363 I364 T368 G369 H370	F210-W366 HydrophobicContact CD1-CZ2 4.14Å; F210-W366 HydrophobicContact CG-CZ2 4.4Å; F213-W366 HydrophobicContact CE1-CH2 4.32Å; F213-W366 AromaticContact CZ-CH2 3.95Å; F213-W366 HydrophobicContact CZ-CH2 3.95Å; F213-W366 HydrophobicContact CZ-CZ2 4.48Å; D363-W366 PolarHBondContact O-N 3.12Å; D363-W366 VanDerWaalsContact O-N 3.08Å; I364-W366 PolarHBondContact O-N 2.76Å; I364-W366 VanDerWaalsContact O-O 3.12Å; W366-T368 PolarHBondContact O-N 2.86Å; W366-G369 PolarHBondContact O-N 2.86Å; W366-G369 VanDerWaalsContact O-N 3.11Å; W366-H370 PolarHBondContact O-N 3.45Å; W366-H370 PolarHBondContact O-ND1 3.39Å; W366-H370 VanDerWaalsContact O-ND1 3.16Å
367	I	96.4	Very high	96.3	Very high	11 Å²	11	11 Å²	11	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-60.2	-32.3	-178	-168.8	68.6	0	0	0	112.1	F317 L319 Y338 G369 H370 S371 W471 T473	F317-I367 HydrophobicContact CE2-CD1 4.03Å; F317-I367 HydrophobicContact CZ-CD1 3.76Å; L319-I367 HydrophobicContact CD2-CB 3.8Å; L319-I367 HydrophobicContact CD2-CD1 4.04Å; Y338-I367 HydrophobicContact CE2-CD1 4.39Å; I367-G369 VanDerWaalsContact C-N 3.31Å; I367-G369 PolarHBondContact O-N 3Å; I367-H370 HydrophobicContact CD1-CB 4.32Å; I367-H370 WeakPolarHBondContact O-CB 3.45Å; I367-H370 PolarHBondContact O-N 3.24Å; I367-H370 VanDerWaalsContact O-N 3.14Å; I367-S371 PolarHBondContact O-N 2.87Å; I367-S371 PolarHBondContact O-OG 3.45Å; I367-W471 HydrophobicContact CB-CH2 4.32Å; I367-W471 HydrophobicContact CB-CZ3 4.29Å; I367-W471 HydrophobicContact CG1-CH2 3.98Å; I367-W471 HydrophobicContact CG1-CZ3 3.58Å; I367-W471 HydrophobicContact CG2-CE3 4.49Å; I367-W471 HydrophobicContact CG2-CH2 3.76Å; I367-W471 HydrophobicContact CG2-CZ2 4.39Å; I367-W471 HydrophobicContact CG2-CZ3 3.83Å; I367-T473 HydrophobicContact CB-CG2 4.18Å; I367-T473 HydrophobicContact CD1-CG2 4.36Å; I367-T473 HydrophobicContact CG1-CG2 4.46Å
368	T	96.6	Very high	96.3	Very high	17 Å²	17	10.2 Å²	10.2	10%	0.104	6%	0.055	C	C	.	.	H	α-helix	trans	-58	-41.4	177.1	-49.4	0	0	0	0	112.2	A362 W366 Y372 I373 Y412 V443 W471	A362-T368 HydrophobicContact CB-CG2 3.55Å; W366-T368 PolarHBondContact O-N 2.86Å; T368-Y372 HydrophobicContact CG2-CD2 4.48Å; T368-Y372 CarbonylContact O-C 3.57Å; T368-Y372 VanDerWaalsContact O-CA 3.32Å; T368-Y372 WeakPolarHBondContact O-CA 3.37Å; T368-Y372 WeakPolarHBondContact O-CB 3.34Å; T368-Y372 PolarHBondContact O-N 3.27Å; T368-I373 PolarHBondContact O-N 3.02Å; T368-Y412 HydrophobicContact CG2-CD1 4.26Å; T368-Y412 HydrophobicContact CG2-CE1 3.58Å; T368-V443 HydrophobicContact CG2-CG1 4.15Å; T368-V443 HydrophobicContact CG2-CG2 4.39Å; T368-W471 HydrophobicContact CG2-CZ2 4.14Å
369	G	97.4	Very high	96.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-78	-25.9	177.2	0	0	0	0	0	113.6	W366 I367 I373 T374	W366-G369 PolarHBondContact O-N 2.86Å; W366-G369 VanDerWaalsContact O-N 3.11Å; I367-G369 VanDerWaalsContact C-N 3.31Å; I367-G369 PolarHBondContact O-N 3Å; G369-I373 VanDerWaalsContact O-CB 3.3Å; G369-I373 WeakPolarHBondContact O-CB 3.45Å; G369-I373 PolarHBondContact O-N 2.83Å; G369-I373 VanDerWaalsContact O-N 3.16Å; G369-T374 PolarHBondContact O-N 2.98Å; G369-T374 PolarHBondContact O-OG1 3.48Å
370	H	98.8	Very high	96.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-63.5	-58.2	168.7	-72.2	53.4	0	0	0	110.5	H206 F317 Y338 I364 W366 I367 Y375	H206-H370 AromaticContact CE1-CD2 3.71Å; H206-H370 AromaticContact CE1-NE2 3.55Å; H206-H370 AromaticContact ND1-NE2 3.99Å; F317-H370 AromaticContact CD2-CD2 3.87Å; F317-H370 AromaticContact CE2-CD2 3.9Å; F317-H370 AromaticContact CG-CD2 3.97Å; Y338-H370 WeakPolarHBondContact OH-CB 3.26Å; I364-H370 PolarHBondContact O-CE1 3.05Å; I364-H370 PolarHBondContact O-ND1 3.5Å; W366-H370 PolarHBondContact O-N 3.45Å; W366-H370 PolarHBondContact O-ND1 3.39Å; W366-H370 VanDerWaalsContact O-ND1 3.16Å; I367-H370 HydrophobicContact CD1-CB 4.32Å; I367-H370 WeakPolarHBondContact O-CB 3.45Å; I367-H370 PolarHBondContact O-N 3.24Å; I367-H370 VanDerWaalsContact O-N 3.14Å; H370-Y375 HydrophobicContact CB-CD2 4.43Å; H370-Y375 VanDerWaalsContact O-CD2 3.26Å; H370-Y375 WeakPolarHBondContact O-CD2 3.43Å; H370-Y375 PolarHBondContact O-N 3.24Å
371	S	98.9	Very high	96.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-75.4	-37.2	-171.8	-54.2	0	0	0	0	112.7	Y338 I367 G376 P377 G476	Y338-S371 VanDerWaalsContact OH-CA 3.26Å; Y338-S371 WeakPolarHBondContact OH-CA 3.44Å; Y338-S371 PolarHBondContact OH-N 3.08Å; Y338-S371 VanDerWaalsContact OH-N 3.16Å; Y338-S371 PolarHBondContact OH-OG 3.06Å; I367-S371 PolarHBondContact O-N 2.87Å; I367-S371 PolarHBondContact O-OG 3.45Å; S371-G376 VanDerWaalsContact O-CA 3.29Å; S371-G376 WeakPolarHBondContact O-CA 3.42Å; S371-G376 PolarHBondContact O-N 3Å; S371-P377 WeakPolarHBondContact O-CD 3.44Å; S371-G476 PolarHBondContact OG-O 3.24Å
372	Y	98.8	Very high	96.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-126	7.1	-166.9	-55.6	-62.8	0	0	0	114.9	T345 F346 F350 Y358 T368 P377 Y412 W471 G477 H478	T345-Y372 WeakPolarHBondContact CB-OH 3.47Å; T345-Y372 WeakPolarHBondContact OG1-CE1 3.44Å; T345-Y372 PolarHBondContact OG1-OH 2.96Å; F346-Y372 HydrophobicContact CB-CD1 4.32Å; F346-Y372 HydrophobicContact CB-CE1 4.33Å; F346-Y372 HydrophobicContact CD2-CD1 4.31Å; F350-Y372 HydrophobicContact CE2-CD1 4.17Å; Y358-Y372 WeakPolarHBondContact CE1-O 3.39Å; Y358-Y372 PolarHBondContact OH-O 3.18Å; T368-Y372 HydrophobicContact CG2-CD2 4.48Å; T368-Y372 CarbonylContact O-C 3.57Å; T368-Y372 VanDerWaalsContact O-CA 3.32Å; T368-Y372 WeakPolarHBondContact O-CA 3.37Å; T368-Y372 WeakPolarHBondContact O-CB 3.34Å; T368-Y372 PolarHBondContact O-N 3.27Å; Y372-P377 WeakPolarHBondContact O-CG 3.49Å; Y372-Y412 HydrophobicContact CD2-CE1 4.15Å; Y372-Y412 HydrophobicContact CG-CE1 4.33Å; Y372-W471 AromaticContact CD2-CH2 3.5Å; Y372-W471 HydrophobicContact CD2-CH2 3.5Å; Y372-W471 AromaticContact CD2-CZ2 3.41Å; Y372-W471 HydrophobicContact CD2-CZ2 3.41Å; Y372-W471 VanDerWaalsContact CD2-CZ2 3.41Å; Y372-W471 HydrophobicContact CD2-CZ3 4.41Å; Y372-W471 HydrophobicContact CE2-CD2 4.23Å; Y372-W471 AromaticContact CE2-CE2 3.7Å; Y372-W471 HydrophobicContact CE2-CE3 4.25Å; Y372-W471 AromaticContact CE2-CH2 3.27Å; Y372-W471 HydrophobicContact CE2-CH2 3.27Å; Y372-W471 AromaticContact CE2-CZ2 3.24Å; Y372-W471 HydrophobicContact CE2-CZ2 3.24Å; Y372-W471 AromaticContact CE2-CZ3 3.79Å; Y372-W471 HydrophobicContact CE2-CZ3 3.79Å; Y372-G477 WeakPolarHBondContact OH-CA 3.3Å; Y372-H478 AromaticContact CD2-NE2 3.73Å; Y372-H478 AromaticContact CE1-CE1 3.66Å; Y372-H478 AromaticContact CE1-NE2 3.96Å; Y372-H478 AromaticContact CE2-CD2 3.5Å; Y372-H478 VanDerWaalsContact CE2-CD2 3.5Å; Y372-H478 WeakPolarHBondContact CE2-CD2 3.26Å; Y372-H478 AromaticContact CE2-CE1 3.66Å; Y372-H478 AromaticContact CE2-NE2 3.08Å; Y372-H478 WeakPolarHBondContact CE2-NE2 3.34Å; Y372-H478 AromaticContact CZ-CD2 3.53Å; Y372-H478 AromaticContact CZ-CE1 3.33Å; Y372-H478 AromaticContact CZ-CG 3.79Å; Y372-H478 AromaticContact CZ-ND1 3.66Å; Y372-H478 AromaticContact CZ-NE2 3.22Å; Y372-H478 PolarHBondContact OH-CD2 3.37Å; Y372-H478 PolarHBondContact OH-CE1 2.84Å; Y372-H478 PolarHBondContact OH-N 3.17Å; Y372-H478 PolarHBondContact OH-ND1 2.91Å; Y372-H478 PolarHBondContact OH-NE2 3.03Å
373	I	98.8	Very high	96.7	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.021	5%	0.047	C	C	.	.	I	π-helix	trans	-108.3	-42.2	158.2	-66.1	170.1	0	0	0	109.2	Y142 M188 C360 A362 I364 T368 G369 L386	Y142-I373 HydrophobicContact CE1-CG2 4.21Å; Y142-I373 PolarHBondContact OH-O 3.17Å; M188-I373 HydrophobicContact CE-CD1 3.85Å; C360-I373 HydrophobicContact CB-CD1 4.28Å; C360-I373 HydrophobicContact CB-CG1 3.63Å; A362-I373 HydrophobicContact CB-CD1 4.31Å; A362-I373 WeakPolarHBondContact O-CD1 3.33Å; I364-I373 HydrophobicContact CD1-CG2 3.96Å; I364-I373 HydrophobicContact CG1-CB 4.22Å; I364-I373 HydrophobicContact CG1-CD1 4.18Å; I364-I373 HydrophobicContact CG1-CG2 4.12Å; T368-I373 PolarHBondContact O-N 3.02Å; G369-I373 VanDerWaalsContact O-CB 3.3Å; G369-I373 WeakPolarHBondContact O-CB 3.45Å; G369-I373 PolarHBondContact O-N 2.83Å; G369-I373 VanDerWaalsContact O-N 3.16Å; I373-L386 HydrophobicContact CG2-CD1 3.92Å
374	T	98.9	Very high	97.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-97	-79.3	-172.9	-47.4	0	0	0	0	112.1	V193 M196 L197 G369 L378	V193-T374 HydrophobicContact CG1-CG2 4.09Å; M196-T374 HydrophobicContact CE-CG2 4.19Å; L197-T374 HydrophobicContact CD2-CG2 4.23Å; L197-T374 HydrophobicContact CG-CG2 4.43Å; G369-T374 PolarHBondContact O-N 2.98Å; G369-T374 PolarHBondContact O-OG1 3.48Å; T374-L378 HydrophobicContact CG2-CD1 4.04Å; T374-L378 WeakPolarHBondContact O-CB 3.44Å; T374-L378 WeakPolarHBondContact O-CD1 3.35Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.77Å; T374-L378 VanDerWaalsContact O-N 3.15Å
375	Y	98.9	Very high	97.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-72.1	-51.5	-160.8	-67.4	-63.3	0	0	0	114.8	M122 M196 L197 H206 L316 F317 Y338 H370 A379	M122-Y375 HydrophobicContact CE-CD1 4.1Å; M122-Y375 HydrophobicContact CE-CE1 4.5Å; M122-Y375 HydrophobicContact CE-CG 4.48Å; M122-Y375 HydrophobicContact CG-CD1 3.66Å; M122-Y375 HydrophobicContact CG-CE1 3.45Å; M122-Y375 VanDerWaalsContact CG-CE1 3.45Å; M122-Y375 HydrophobicContact SD-CD1 3.57Å; M122-Y375 VanDerWaalsContact SD-CD1 3.57Å; M122-Y375 HydrophobicContact SD-CE1 4.03Å; M122-Y375 HydrophobicContact SD-CG 4.38Å; M196-Y375 HydrophobicContact CE-CE2 3.91Å; L197-Y375 HydrophobicContact CD2-CD1 4.41Å; L197-Y375 HydrophobicContact CD2-CE1 3.95Å; H206-Y375 AromaticContact NE2-CZ 3.84Å; H206-Y375 PolarHBondContact NE2-OH 3.26Å; L316-Y375 HydrophobicContact CD2-CE1 4.46Å; L316-Y375 HydrophobicContact CD2-CE2 4.23Å; F317-Y375 HydrophobicContact CD1-CE2 4.39Å; Y338-Y375 HydrophobicContact CD1-CD2 4.41Å; Y338-Y375 AromaticContact CE1-CD2 3.45Å; Y338-Y375 HydrophobicContact CE1-CD2 3.45Å; Y338-Y375 VanDerWaalsContact CE1-CD2 3.45Å; Y338-Y375 HydrophobicContact CE1-CE2 4.17Å; Y338-Y375 AromaticContact CE1-CG 3.86Å; Y338-Y375 HydrophobicContact CE1-CG 3.86Å; H370-Y375 HydrophobicContact CB-CD2 4.43Å; H370-Y375 VanDerWaalsContact O-CD2 3.26Å; H370-Y375 WeakPolarHBondContact O-CD2 3.43Å; H370-Y375 PolarHBondContact O-N 3.24Å; Y375-A379 WeakPolarHBondContact O-CB 3.4Å; Y375-A379 PolarHBondContact O-N 3.24Å
376	G	98.8	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.5	-50	-178.6	0	0	0	0	0	113.8	T342 S371 A379 N380	T342-G376 WeakPolarHBondContact O-CA 3.23Å; S371-G376 VanDerWaalsContact O-CA 3.29Å; S371-G376 WeakPolarHBondContact O-CA 3.42Å; S371-G376 PolarHBondContact O-N 3Å; G376-A379 PolarHBondContact O-N 2.98Å; G376-N380 PolarHBondContact O-N 3.47Å; G376-N380 PolarHBondContact O-ND2 2.78Å
377	P	98.9	Very high	98.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.5	-47.7	176.1	-21.1	30.1	0	0	0	112.6	F346 Y358 S371 Y372 A379 N380 G381 A382	F346-P377 HydrophobicContact CD2-CB 4.33Å; F346-P377 HydrophobicContact CD2-CG 3.79Å; F346-P377 HydrophobicContact CE1-CB 4.33Å; F346-P377 HydrophobicContact CE2-CB 3.82Å; F346-P377 HydrophobicContact CE2-CG 3.55Å; F346-P377 HydrophobicContact CZ-CB 3.81Å; F346-P377 HydrophobicContact CZ-CG 4.09Å; Y358-P377 HydrophobicContact CD1-CG 4.4Å; Y358-P377 HydrophobicContact CE1-CG 4.3Å; S371-P377 WeakPolarHBondContact O-CD 3.44Å; Y372-P377 WeakPolarHBondContact O-CG 3.49Å; P377-A379 VanDerWaalsContact C-N 3.32Å; P377-A379 PolarHBondContact O-N 2.77Å; P377-N380 CarbonylContact O-C 3.5Å; P377-N380 WeakPolarHBondContact O-CA 3.17Å; P377-N380 PolarHBondContact O-N 2.77Å; P377-G381 PolarHBondContact O-N 2.83Å; P377-A382 HydrophobicContact CB-CB 3.86Å; P377-A382 WeakPolarHBondContact O-CB 3.37Å; P377-A382 PolarHBondContact O-N 3.2Å
378	L	98.8	Very high	98.5	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-65.3	-35.6	-179.7	-66	173.9	0	0	0	111.9	V126 H130 A141 Y142 Y157 M160 V193 L197 T374 N380 G381	V126-L378 HydrophobicContact CB-CB 3.84Å; V126-L378 HydrophobicContact CG2-CB 4.28Å; H130-L378 PolarHBondContact CD2-O 3.02Å; H130-L378 PolarHBondContact NE2-O 3.38Å; A141-L378 HydrophobicContact CB-CD2 4.4Å; Y142-L378 HydrophobicContact CE2-CD1 4.48Å; Y142-L378 HydrophobicContact CE2-CD2 4.08Å; Y157-L378 HydrophobicContact CE1-CD2 3.8Å; M160-L378 HydrophobicContact CE-CD2 4.08Å; M160-L378 HydrophobicContact SD-CD1 4.13Å; M160-L378 HydrophobicContact SD-CD2 4.12Å; V193-L378 HydrophobicContact CG1-CD1 4.37Å; L197-L378 HydrophobicContact CD1-CD1 3.78Å; L197-L378 HydrophobicContact CD2-CD1 4.48Å; T374-L378 HydrophobicContact CG2-CD1 4.04Å; T374-L378 WeakPolarHBondContact O-CB 3.44Å; T374-L378 WeakPolarHBondContact O-CD1 3.35Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.77Å; T374-L378 VanDerWaalsContact O-N 3.15Å; L378-N380 PolarHBondContact O-N 3.03Å; L378-G381 PolarHBondContact O-N 3.44Å
379	A	98.7	Very high	98.3	Very high	1 Å²	1	4.6 Å²	4.6	1%	0.008	3%	0.028	C	C	.	.	H	α-helix	trans	-62.9	-20.9	173.8	0	0	0	0	0	113.8	F88 V126 R129 H130 L339 F343 Y375 G376 P377	F88-A379 HydrophobicContact CE1-CB 4.28Å; F88-A379 HydrophobicContact CZ-CB 4.44Å; V126-A379 HydrophobicContact CG1-CB 3.83Å; R129-A379 PolarHBondContact NH2-O 2.93Å; R129-A379 VanDerWaalsContact NH2-O 3.1Å; H130-A379 PolarHBondContact NE2-O 2.79Å; L339-A379 HydrophobicContact CD1-CB 3.98Å; F343-A379 HydrophobicContact CB-CB 4.11Å; F343-A379 HydrophobicContact CD2-CB 4.09Å; Y375-A379 WeakPolarHBondContact O-CB 3.4Å; Y375-A379 PolarHBondContact O-N 3.24Å; G376-A379 PolarHBondContact O-N 2.98Å; P377-A379 VanDerWaalsContact C-N 3.32Å; P377-A379 PolarHBondContact O-N 2.77Å
380	N	98.6	Very high	97.9	Very high	29 Å²	29	6.4 Å²	6.4	16%	0.155	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	6.8	175.7	-77.9	-86.8	0	0	0	112.8	F343 F346 K347 Y352 G376 P377 L378 A382	F343-N380 WeakPolarHBondContact CD2-ND2 3.39Å; F343-N380 WeakPolarHBondContact CD2-OD1 3.31Å; F343-N380 WeakPolarHBondContact CE2-OD1 3.03Å; F343-N380 PolarHBondContact O-ND2 2.87Å; F346-N380 HydrophobicContact CD1-CB 3.84Å; F346-N380 WeakPolarHBondContact CD1-ND2 3.44Å; F346-N380 HydrophobicContact CE1-CB 3.86Å; K347-N380 WeakPolarHBondContact CB-OD1 3.49Å; Y352-N380 HydrophobicContact CD1-CB 4.21Å; G376-N380 PolarHBondContact O-N 3.47Å; G376-N380 PolarHBondContact O-ND2 2.78Å; P377-N380 CarbonylContact O-C 3.5Å; P377-N380 WeakPolarHBondContact O-CA 3.17Å; P377-N380 PolarHBondContact O-N 2.77Å; L378-N380 PolarHBondContact O-N 3.03Å; N380-A382 PolarHBondContact O-N 3.49Å
381	G	98.3	Very high	97.4	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.01	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	32.6	-176	0	0	0	0	0	112.7	K139 Y157 P377 L378	K139-G381 WeakPolarHBondContact CE-O 3.38Å; K139-G381 PolarHBondContact NZ-O 2.89Å; Y157-G381 VanDerWaalsContact OH-CA 3.25Å; Y157-G381 WeakPolarHBondContact OH-CA 3.17Å; P377-G381 PolarHBondContact O-N 2.83Å; L378-G381 PolarHBondContact O-N 3.44Å
382	A	98.6	Very high	97.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.			trans	-74.1	149.4	-173.5	0	0	0	0	0	113.5	Y157 F346 Y352 P377 N380	Y157-A382 PolarHBondContact OH-N 3.49Å; Y157-A382 PolarHBondContact OH-O 3.26Å; F346-A382 HydrophobicContact CE1-CB 4Å; F346-A382 HydrophobicContact CZ-CB 3.9Å; Y352-A382 HydrophobicContact CD1-CB 4.33Å; Y352-A382 HydrophobicContact CD2-CB 4.36Å; Y352-A382 HydrophobicContact CE1-CB 3.67Å; Y352-A382 HydrophobicContact CE2-CB 3.71Å; Y352-A382 VanDerWaalsContact CZ-CA 3.44Å; Y352-A382 WeakPolarHBondContact OH-CA 3.5Å; P377-A382 HydrophobicContact CB-CB 3.86Å; P377-A382 WeakPolarHBondContact O-CB 3.37Å; P377-A382 PolarHBondContact O-N 3.2Å; N380-A382 PolarHBondContact O-N 3.49Å
383	T	98.9	Very high	96.8	Very high	12 Å²	12	10.9 Å²	10.9	7%	0.074	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.5	162.6	-60.6	0	0	0	0	108.6	K139 V140 Y143 Y352 V357 Y358	K139-T383 VanDerWaalsContact CE-OG1 3.28Å; K139-T383 WeakPolarHBondContact CE-OG1 3.23Å; V140-T383 HydrophobicContact CB-CG2 3.99Å; V140-T383 HydrophobicContact CG1-CG2 3.92Å; V140-T383 WeakPolarHBondContact O-CA 3.48Å; V140-T383 WeakPolarHBondContact O-CB 3.39Å; V140-T383 PolarHBondContact O-OG1 3.18Å; Y143-T383 HydrophobicContact CD2-CG2 4.05Å; Y143-T383 HydrophobicContact CE2-CG2 3.56Å; Y352-T383 PolarHBondContact OH-N 3.1Å; V357-T383 HydrophobicContact CG2-CG2 4.26Å; Y358-T383 PolarHBondContact N-O 3.17Å
384	S	98.8	Very high	96.7	Very high	2 Å²	2	14 Å²	14	1%	0.014	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.4	-175.7	-62.5	0	0	0	0	113.4	A141 Y142 Y143 Y358	A141-S384 PolarHBondContact O-N 3.19Å; Y142-S384 CarbonylContact C-O 3.51Å; Y142-S384 VanDerWaalsContact CA-O 3.23Å; Y142-S384 WeakPolarHBondContact CA-O 3.4Å; Y143-S384 PolarHBondContact N-O 2.85Å; Y358-S384 CarbonylContact O-C 3.55Å; Y358-S384 WeakPolarHBondContact O-CA 3.36Å
385	V	98.9	Very high	96.5	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.3	166.6	179	0	0	0	0	109.4	Y143 V357 Y358 W359 F387 V402 Y406 V408	Y143-V385 CarbonylContact O-C 3.3Å; Y143-V385 WeakPolarHBondContact O-CA 3.44Å; V357-V385 HydrophobicContact CG1-CG2 4.2Å; Y358-V385 PolarHBondContact O-N 3.35Å; W359-V385 HydrophobicContact CB-CB 4.02Å; W359-V385 HydrophobicContact CB-CG2 4.27Å; W359-V385 HydrophobicContact CD2-CB 4.34Å; W359-V385 HydrophobicContact CD2-CG1 4.35Å; W359-V385 HydrophobicContact CG-CB 3.72Å; W359-V385 HydrophobicContact CG-CG1 4.19Å; W359-V385 HydrophobicContact CG-CG2 4.35Å; V385-F387 HydrophobicContact CG1-CB 4.46Å; V385-V402 HydrophobicContact CG1-CG1 3.85Å; V385-Y406 HydrophobicContact CG1-CD2 4.34Å; V385-Y406 HydrophobicContact CG2-CD2 3.92Å; V385-Y406 HydrophobicContact CG2-CG 4.13Å; V385-V408 HydrophobicContact CG2-CG2 4.06Å
386	L	98.7	Very high	96.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.4	171.6	-177.5	66.3	0	0	0	108.4	Y142 Y143 W144 E145 M188 V193 I364 I373	Y142-L386 HydrophobicContact CD1-CB 3.89Å; Y142-L386 HydrophobicContact CG-CB 4.22Å; Y143-L386 PolarHBondContact O-N 3.09Å; W144-L386 WeakPolarHBondContact CA-O 3.08Å; E145-L386 PolarHBondContact N-O 3.43Å; M188-L386 HydrophobicContact CE-CD1 3.52Å; V193-L386 HydrophobicContact CG2-CD2 4.33Å; I364-L386 HydrophobicContact CD1-CD1 4.01Å; I373-L386 HydrophobicContact CG2-CD1 3.92Å
387	F	98.1	Very high	96.2	Very high	13 Å²	13	19 Å²	19	6%	0.057	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.9	-171.3	179.2	-111.7	0	0	0	111.9	E145 W359 V385 G389 R398 F399 V402	E145-F387 HydrophobicContact CB-CD2 4.05Å; E145-F387 HydrophobicContact CG-CD2 4.02Å; E145-F387 HydrophobicContact CG-CE2 4.3Å; W359-F387 HydrophobicContact CZ2-CB 3.81Å; W359-F387 AromaticContact CZ2-CD1 3.9Å; W359-F387 HydrophobicContact CZ2-CD1 3.9Å; W359-F387 HydrophobicContact CZ2-CD2 4.2Å; W359-F387 AromaticContact CZ2-CG 3.71Å; W359-F387 HydrophobicContact CZ2-CG 3.71Å; V385-F387 HydrophobicContact CG1-CB 4.46Å; F387-G389 WeakPolarHBondContact CE1-O 3.37Å; F387-G389 VanDerWaalsContact CZ-C 3.48Å; F387-R398 HydrophobicContact CE2-CG 4.3Å; F387-R398 HydrophobicContact CZ-CG 4.02Å; F387-F399 HydrophobicContact CD1-CE1 4.14Å; F387-F399 HydrophobicContact CE1-CD1 4.35Å; F387-F399 AromaticContact CE1-CE1 3.65Å; F387-F399 HydrophobicContact CE1-CE1 3.65Å; F387-F399 HydrophobicContact CZ-CE1 4.3Å; F387-V402 HydrophobicContact CD2-CG2 4.46Å; F387-V402 HydrophobicContact CE2-CG2 4.33Å
388	E	96.6	Very high	96.1	Very high	18 Å²	18	19 Å²	19	8%	0.084	11%	0.109	C	C	.	.			trans	-86.3	-33.6	-179.6	-176.5	179.2	-138.7	0	0	114	E145 N147 M188 I189 V236 H272	E145-E388 PolarHBondContact O-N 2.68Å; N147-E388 HydrophobicContact CB-CG 4.47Å; N147-E388 PolarHBondContact N-OE2 3.34Å; M188-E388 HydrophobicContact CB-CB 4.28Å; M188-E388 HydrophobicContact CB-CG 4.38Å; I189-E388 WeakPolarHBondContact CG2-OE1 3.22Å; V236-E388 VanDerWaalsContact CG2-OE1 3.26Å; V236-E388 WeakPolarHBondContact CG2-OE1 3.27Å; H272-E388 IonicContact CD2-OE1 3.6Å; H272-E388 IonicContact CE1-OE1 2.64Å; H272-E388 IonicContact CE1-OE2 3.79Å; H272-E388 IonicContact NE2-OE1 2.85Å; H272-E388 PolarHBondContact NE2-OE1 3.07Å; H272-E388 IonicContact NE2-OE2 3.54Å
389	G	92.3	Very high	96.1	Very high	13 Å²	13	19.1 Å²	19.1	13%	0.134	11%	0.109	C	C	.	.	S	Bend	trans	-75	-157.3	-168.3	0	0	0	0	0	115.3	F387	F387-G389 WeakPolarHBondContact CE1-O 3.37Å; F387-G389 VanDerWaalsContact CZ-C 3.48Å
390	I	89.6	Confident	96	Very high	38 Å²	38	19.4 Å²	19.4	20%	0.195	11%	0.11	C	C	.	.			trans	-125.6	157.2	174.9	60.9	170	0	0	0	110.2	R238 V392 H393	R238-I390 HydrophobicContact CG-CG2 3.81Å; I390-V392 HydrophobicContact CD1-CG2 3.94Å; I390-V392 HydrophobicContact CG1-CG2 4.35Å; I390-V392 PolarHBondContact O-N 2.73Å; I390-H393 HydrophobicContact CD1-CB 3.9Å; I390-H393 HydrophobicContact CG1-CB 3.5Å; I390-H393 VanDerWaalsContact CG1-CB 3.5Å; I390-H393 PolarHBondContact O-N 2.69Å
391	P	89.4	Confident	96	Very high	22 Å²	22	20 Å²	20	14%	0.143	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.2	-174.8	16	-31.5	0	0	0	116.7	F399 L420 L421	P391-F399 VanDerWaalsContact CA-CE1 3.41Å; P391-F399 HydrophobicContact CB-CD1 3.89Å; P391-F399 HydrophobicContact CB-CD2 3.95Å; P391-F399 HydrophobicContact CB-CE1 3.64Å; P391-F399 HydrophobicContact CB-CE2 3.7Å; P391-F399 HydrophobicContact CB-CG 4.07Å; P391-F399 HydrophobicContact CB-CZ 3.55Å; P391-F399 HydrophobicContact CG-CE1 4.37Å; P391-F399 HydrophobicContact CG-CE2 4.37Å; P391-F399 HydrophobicContact CG-CZ 4.03Å; P391-L420 HydrophobicContact CG-CD2 4Å; P391-L421 HydrophobicContact CB-CD1 4.24Å; P391-L421 HydrophobicContact CB-CD2 4.18Å; P391-L421 HydrophobicContact CB-CG 4.39Å
392	V	90.9	Very high	96	Very high	42 Å²	42	20 Å²	20	26%	0.255	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	5	-169.4	-61.2	0	0	0	0	113.9	I390 H395 V396 L420 L421 Y424	I390-V392 HydrophobicContact CD1-CG2 3.94Å; I390-V392 HydrophobicContact CG1-CG2 4.35Å; I390-V392 PolarHBondContact O-N 2.73Å; V392-H395 CarbonylContact C-O 3.54Å; V392-H395 VanDerWaalsContact C-O 3.23Å; V392-H395 WeakPolarHBondContact CA-O 3.46Å; V392-H395 CarbonylContact O-C 3.34Å; V392-H395 WeakPolarHBondContact O-CA 3.26Å; V392-H395 PolarHBondContact O-N 3.4Å; V392-V396 HydrophobicContact CG1-CG2 4.48Å; V392-L420 HydrophobicContact CG1-CD2 3.95Å; V392-L420 HydrophobicContact CG1-CG 4.3Å; V392-L421 HydrophobicContact CG1-CD2 4.35Å; V392-Y424 HydrophobicContact CG1-CE2 4.39Å
393	H	94.1	Very high	96	Very high	30 Å²	30	20 Å²	20	14%	0.139	11%	0.112	C	C	.	.	S	Bend	trans	-120.5	132.5	-179.9	-178.2	85.1	0	0	0	110.5	D240 I390 H395 R398	D240-H393 IonicContact OD1-CE1 3.96Å; D240-H393 PolarHBondContact OD1-CE1 3Å; D240-H393 IonicContact OD1-ND1 3.16Å; D240-H393 IonicContact OD2-ND1 3.01Å; I390-H393 HydrophobicContact CD1-CB 3.9Å; I390-H393 HydrophobicContact CG1-CB 3.5Å; I390-H393 VanDerWaalsContact CG1-CB 3.5Å; I390-H393 PolarHBondContact O-N 2.69Å; H393-H395 VanDerWaalsContact C-N 3.29Å; H393-R398 VanDerWaalsContact O-CG 3.29Å; H393-R398 WeakPolarHBondContact O-CG 3.11Å
394	P	95.7	Very high	96	Very high	68 Å²	68	23.2 Å²	23.2	44%	0.442	13%	0.126	S	C	.	.	S	Bend	cis	-75.7	-9.2	1.1	31.2	-36.3	0	0	0	114.2	P149	P149-P394 HydrophobicContact CG-CG 3.99Å
395	H	95.2	Very high	96	Very high	71 Å²	71	27.1 Å²	27.1	33%	0.329	14%	0.143	S	C	.	.			trans	-146.7	164.6	177.6	57.7	56.7	0	0	0	112.5	V392 H393 G397 R398 E401 Y432	V392-H395 CarbonylContact C-O 3.54Å; V392-H395 VanDerWaalsContact C-O 3.23Å; V392-H395 WeakPolarHBondContact CA-O 3.46Å; V392-H395 CarbonylContact O-C 3.34Å; V392-H395 WeakPolarHBondContact O-CA 3.26Å; V392-H395 PolarHBondContact O-N 3.4Å; H393-H395 VanDerWaalsContact C-N 3.29Å; H395-G397 WeakPolarHBondContact ND1-CA 3.41Å; H395-G397 PolarHBondContact ND1-N 3.08Å; H395-G397 VanDerWaalsContact ND1-N 3.15Å; H395-G397 PolarHBondContact O-N 3.16Å; H395-G397 VanDerWaalsContact O-N 3.13Å; H395-R398 PolarHBondContact ND1-N 3.19Å; H395-R398 WeakPolarHBondContact O-CB 3.35Å; H395-R398 PolarHBondContact O-N 3.29Å; H395-R398 VanDerWaalsContact O-N 3.16Å; H395-E401 IonicContact CE1-OE2 2.68Å; H395-E401 PolarHBondContact CE1-OE2 3.46Å; H395-E401 VanDerWaalsContact CE1-OE2 3.31Å; H395-E401 IonicContact NE2-OE2 2.99Å; H395-E401 PolarHBondContact NE2-OE2 3.19Å; H395-Y432 PolarHBondContact CE1-OH 3.18Å
396	V	94	Very high	96	Very high	30 Å²	30	28 Å²	28	18%	0.182	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.9	-179.1	-178.5	0	0	0	0	113.8	V392 R398 L421 Y424 P428	V392-V396 HydrophobicContact CG1-CG2 4.48Å; V396-R398 PolarHBondContact O-N 3.31Å; V396-L421 HydrophobicContact CG1-CD2 4.21Å; V396-Y424 HydrophobicContact CB-CG 4.41Å; V396-Y424 HydrophobicContact CG1-CD1 4.07Å; V396-Y424 HydrophobicContact CG1-CD2 3.55Å; V396-Y424 HydrophobicContact CG1-CE2 4.17Å; V396-Y424 HydrophobicContact CG1-CG 3.48Å; V396-Y424 VanDerWaalsContact CG1-CG 3.48Å; V396-Y424 HydrophobicContact CG2-CD1 3.85Å; V396-Y424 HydrophobicContact CG2-CD2 4.26Å; V396-Y424 HydrophobicContact CG2-CE1 3.77Å; V396-Y424 HydrophobicContact CG2-CE2 4.19Å; V396-Y424 HydrophobicContact CG2-CG 4.09Å; V396-P428 HydrophobicContact CB-CB 4.25Å; V396-P428 HydrophobicContact CB-CG 4.32Å; V396-P428 HydrophobicContact CG1-CB 3.94Å; V396-P428 HydrophobicContact CG1-CG 3.87Å
397	G	96.2	Very high	96	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3.8	175.5	0	0	0	0	0	115.7	H395 F399 W400 E401 Y432	H395-G397 WeakPolarHBondContact ND1-CA 3.41Å; H395-G397 PolarHBondContact ND1-N 3.08Å; H395-G397 VanDerWaalsContact ND1-N 3.15Å; H395-G397 PolarHBondContact O-N 3.16Å; H395-G397 VanDerWaalsContact O-N 3.13Å; G397-F399 PolarHBondContact O-N 2.74Å; G397-W400 WeakPolarHBondContact O-CB 3.28Å; G397-W400 PolarHBondContact O-N 3.37Å; G397-W400 VanDerWaalsContact O-N 3.12Å; G397-E401 PolarHBondContact O-N 2.77Å; G397-Y432 WeakPolarHBondContact O-CE2 3.42Å
398	R	97.6	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-162.1	-175.4	59.6	170.4	146.2	9.5	113.9	E145 P149 F387 H393 H395 V396 W400 E401 V402	E145-R398 VanDerWaalsContact CD-NH2 3.32Å; E145-R398 IonicContact OE1-CZ 3.36Å; E145-R398 IonicContact OE1-NH1 3.25Å; E145-R398 PolarHBondContact OE1-NH1 2.73Å; E145-R398 IonicContact OE1-NH2 3.87Å; E145-R398 PolarHBondContact OE1-NH2 2.91Å; P149-R398 VanDerWaalsContact CA-NH2 3.32Å; F387-R398 HydrophobicContact CE2-CG 4.3Å; F387-R398 HydrophobicContact CZ-CG 4.02Å; H393-R398 VanDerWaalsContact O-CG 3.29Å; H393-R398 WeakPolarHBondContact O-CG 3.11Å; H395-R398 PolarHBondContact ND1-N 3.19Å; H395-R398 WeakPolarHBondContact O-CB 3.35Å; H395-R398 PolarHBondContact O-N 3.29Å; H395-R398 VanDerWaalsContact O-N 3.16Å; V396-R398 PolarHBondContact O-N 3.31Å; R398-W400 VanDerWaalsContact C-N 3.31Å; R398-W400 PolarHBondContact O-N 2.77Å; R398-E401 VanDerWaalsContact CD-OE2 3.25Å; R398-E401 WeakPolarHBondContact CD-OE2 3.12Å; R398-E401 IonicContact CZ-OE2 3.6Å; R398-E401 IonicContact NE-OE2 2.95Å; R398-E401 IonicContact NH1-OE1 3.74Å; R398-E401 PolarHBondContact NH1-OE1 2.78Å; R398-E401 VanDerWaalsContact NH1-OE1 3.11Å; R398-E401 IonicContact NH1-OE2 3.86Å; R398-E401 PolarHBondContact NH1-OE2 2.92Å; R398-V402 WeakPolarHBondContact O-CG2 3.41Å; R398-V402 PolarHBondContact O-N 2.91Å
399	F	97.9	Very high	96.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-38.8	177.1	-81.3	5.5	0	0	0	112.3	W359 T361 F387 P391 G397 V402 I403 F411 A417 L421	W359-F399 HydrophobicContact CH2-CB 4.1Å; W359-F399 AromaticContact CH2-CD1 3.42Å; W359-F399 HydrophobicContact CH2-CD1 3.42Å; W359-F399 VanDerWaalsContact CH2-CD1 3.42Å; W359-F399 AromaticContact CH2-CE1 3.89Å; W359-F399 HydrophobicContact CH2-CE1 3.89Å; W359-F399 AromaticContact CH2-CG 3.82Å; W359-F399 HydrophobicContact CH2-CG 3.82Å; W359-F399 HydrophobicContact CZ2-CD1 4.02Å; W359-F399 HydrophobicContact CZ2-CE1 4.02Å; W359-F399 HydrophobicContact CZ3-CB 4.21Å; W359-F399 HydrophobicContact CZ3-CD1 4.32Å; W359-F399 HydrophobicContact CZ3-CG 4.3Å; W359-F399 WeakPolarHBondContact CZ3-O 3.26Å; T361-F399 HydrophobicContact CG2-CE1 4.35Å; T361-F399 HydrophobicContact CG2-CE2 3.83Å; T361-F399 HydrophobicContact CG2-CZ 3.71Å; F387-F399 HydrophobicContact CD1-CE1 4.14Å; F387-F399 HydrophobicContact CE1-CD1 4.35Å; F387-F399 AromaticContact CE1-CE1 3.65Å; F387-F399 HydrophobicContact CE1-CE1 3.65Å; F387-F399 HydrophobicContact CZ-CE1 4.3Å; P391-F399 VanDerWaalsContact CA-CE1 3.41Å; P391-F399 HydrophobicContact CB-CD1 3.89Å; P391-F399 HydrophobicContact CB-CD2 3.95Å; P391-F399 HydrophobicContact CB-CE1 3.64Å; P391-F399 HydrophobicContact CB-CE2 3.7Å; P391-F399 HydrophobicContact CB-CG 4.07Å; P391-F399 HydrophobicContact CB-CZ 3.55Å; P391-F399 HydrophobicContact CG-CE1 4.37Å; P391-F399 HydrophobicContact CG-CE2 4.37Å; P391-F399 HydrophobicContact CG-CZ 4.03Å; G397-F399 PolarHBondContact O-N 2.74Å; F399-V402 PolarHBondContact O-N 3.17Å; F399-I403 WeakPolarHBondContact O-CG1 3.21Å; F399-I403 PolarHBondContact O-N 2.94Å; F399-F411 HydrophobicContact CD2-CE2 4.35Å; F399-F411 AromaticContact CD2-CZ 3.61Å; F399-F411 HydrophobicContact CD2-CZ 3.61Å; F399-F411 AromaticContact CE2-CZ 4Å; F399-F411 HydrophobicContact CE2-CZ 4Å; F399-F411 HydrophobicContact CG-CZ 4.31Å; F399-A417 HydrophobicContact CE2-CB 4.25Å; F399-L421 HydrophobicContact CD2-CD1 3.65Å; F399-L421 HydrophobicContact CE2-CD1 4.29Å; F399-L421 HydrophobicContact CG-CD1 4.35Å
400	W	98.2	Very high	96.4	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-40	-178.6	-40.5	133.7	0	0	0	111.1	G397 R398 V402 I403 E404 F411 L421 L429 Y432 L434 W454 V459	G397-W400 WeakPolarHBondContact O-CB 3.28Å; G397-W400 PolarHBondContact O-N 3.37Å; G397-W400 VanDerWaalsContact O-N 3.12Å; R398-W400 VanDerWaalsContact C-N 3.31Å; R398-W400 PolarHBondContact O-N 2.77Å; W400-V402 PolarHBondContact O-N 2.68Å; W400-I403 HydrophobicContact CE3-CD1 3.93Å; W400-I403 HydrophobicContact CZ3-CD1 4.21Å; W400-I403 PolarHBondContact O-N 2.83Å; W400-E404 PolarHBondContact O-N 3.17Å; W400-F411 HydrophobicContact CZ3-CE1 4.46Å; W400-L421 HydrophobicContact CH2-CD1 3.87Å; W400-L421 HydrophobicContact CZ2-CB 4.11Å; W400-L421 HydrophobicContact CZ2-CD1 3.68Å; W400-L421 HydrophobicContact CZ2-CD2 4.48Å; W400-L421 HydrophobicContact CZ2-CG 4.3Å; W400-L429 VanDerWaalsContact CD1-CA 3.41Å; W400-L429 HydrophobicContact CD2-CB 4.32Å; W400-L429 HydrophobicContact CD2-CD1 3.9Å; W400-L429 HydrophobicContact CD2-CG 4.25Å; W400-L429 HydrophobicContact CE3-CD1 4.09Å; W400-L429 HydrophobicContact CG-CB 4.16Å; W400-L429 HydrophobicContact CG-CD1 4.46Å; W400-L429 HydrophobicContact CG-CG 4.3Å; W400-L429 HydrophobicContact CH2-CD1 4.2Å; W400-L429 HydrophobicContact CZ2-CD1 3.97Å; W400-L429 HydrophobicContact CZ3-CD1 4.26Å; W400-Y432 HydrophobicContact CB-CD2 3.39Å; W400-Y432 HydrophobicContact CB-CE2 4.08Å; W400-Y432 HydrophobicContact CB-CG 3.73Å; W400-Y432 HydrophobicContact CG-CD2 4.28Å; W400-L434 HydrophobicContact CB-CD2 4.14Å; W400-L434 HydrophobicContact CE3-CD1 4.16Å; W400-L434 HydrophobicContact CE3-CD2 4.42Å; W400-W454 HydrophobicContact CH2-CH2 4.34Å; W400-W454 HydrophobicContact CZ2-CH2 4.17Å; W400-V459 HydrophobicContact CE3-CG1 4.45Å; W400-V459 HydrophobicContact CH2-CG1 4.13Å; W400-V459 HydrophobicContact CH2-CG2 3.57Å; W400-V459 HydrophobicContact CZ2-CG2 4.37Å; W400-V459 HydrophobicContact CZ3-CB 4.45Å; W400-V459 HydrophobicContact CZ3-CG1 3.62Å; W400-V459 HydrophobicContact CZ3-CG2 3.94Å
401	E	98	Very high	96.9	Very high	42 Å²	42	31.9 Å²	31.9	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-57.4	-46.5	172.3	-172.6	-166.5	172.2	0	0	112.2	H395 G397 R398 I403 E404 K405 Y432	H395-E401 IonicContact CE1-OE2 2.68Å; H395-E401 PolarHBondContact CE1-OE2 3.46Å; H395-E401 VanDerWaalsContact CE1-OE2 3.31Å; H395-E401 IonicContact NE2-OE2 2.99Å; H395-E401 PolarHBondContact NE2-OE2 3.19Å; G397-E401 PolarHBondContact O-N 2.77Å; R398-E401 VanDerWaalsContact CD-OE2 3.25Å; R398-E401 WeakPolarHBondContact CD-OE2 3.12Å; R398-E401 IonicContact CZ-OE2 3.6Å; R398-E401 IonicContact NE-OE2 2.95Å; R398-E401 IonicContact NH1-OE1 3.74Å; R398-E401 PolarHBondContact NH1-OE1 2.78Å; R398-E401 VanDerWaalsContact NH1-OE1 3.11Å; R398-E401 IonicContact NH1-OE2 3.86Å; R398-E401 PolarHBondContact NH1-OE2 2.92Å; E401-I403 VanDerWaalsContact C-N 3.35Å; E401-I403 PolarHBondContact O-N 2.9Å; E401-E404 PolarHBondContact O-N 2.89Å; E401-K405 WeakPolarHBondContact O-CB 3.33Å; E401-K405 PolarHBondContact O-N 3.15Å; E401-Y432 HydrophobicContact CB-CD1 4.04Å; E401-Y432 HydrophobicContact CB-CE1 3.49Å; E401-Y432 VanDerWaalsContact CB-CE1 3.49Å; E401-Y432 HydrophobicContact CG-CE1 3.85Å
402	V	98.6	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-38.2	178.8	173	0	0	0	0	111.4	E145 W359 V385 F387 R398 F399 W400 Y406	E145-V402 HydrophobicContact CG-CG2 4.21Å; W359-V402 HydrophobicContact CD2-CG1 4.13Å; W359-V402 HydrophobicContact CE3-CB 4.41Å; W359-V402 HydrophobicContact CE3-CG1 3.82Å; W359-V402 HydrophobicContact CH2-CB 3.64Å; W359-V402 HydrophobicContact CH2-CG1 3.55Å; W359-V402 HydrophobicContact CH2-CG2 4.19Å; W359-V402 HydrophobicContact CZ2-CB 4.36Å; W359-V402 HydrophobicContact CZ2-CG1 3.87Å; W359-V402 HydrophobicContact CZ3-CB 3.68Å; W359-V402 HydrophobicContact CZ3-CG1 3.55Å; V385-V402 HydrophobicContact CG1-CG1 3.85Å; F387-V402 HydrophobicContact CD2-CG2 4.46Å; F387-V402 HydrophobicContact CE2-CG2 4.33Å; R398-V402 WeakPolarHBondContact O-CG2 3.41Å; R398-V402 PolarHBondContact O-N 2.91Å; F399-V402 PolarHBondContact O-N 3.17Å; W400-V402 PolarHBondContact O-N 2.68Å; V402-Y406 HydrophobicContact CG1-CD2 3.86Å; V402-Y406 HydrophobicContact CG1-CE2 4.27Å; V402-Y406 WeakPolarHBondContact O-CD2 3.38Å; V402-Y406 PolarHBondContact O-N 3.16Å; V402-Y406 VanDerWaalsContact O-N 3.12Å
403	I	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-48	175.5	-72.5	162.5	0	0	0	110.8	W359 F399 W400 E401 K407 V408 F411 L434 L437	W359-I403 HydrophobicContact CE3-CG1 3.9Å; W359-I403 HydrophobicContact CZ3-CD1 4.35Å; W359-I403 HydrophobicContact CZ3-CG1 3.88Å; F399-I403 WeakPolarHBondContact O-CG1 3.21Å; F399-I403 PolarHBondContact O-N 2.94Å; W400-I403 HydrophobicContact CE3-CD1 3.93Å; W400-I403 HydrophobicContact CZ3-CD1 4.21Å; W400-I403 PolarHBondContact O-N 2.83Å; E401-I403 VanDerWaalsContact C-N 3.35Å; E401-I403 PolarHBondContact O-N 2.9Å; I403-K407 CarbonylContact O-C 3.28Å; I403-K407 VanDerWaalsContact O-CA 3.24Å; I403-K407 WeakPolarHBondContact O-CA 3.24Å; I403-K407 PolarHBondContact O-N 2.91Å; I403-V408 HydrophobicContact CB-CB 4.3Å; I403-V408 HydrophobicContact CG1-CB 4.07Å; I403-V408 HydrophobicContact CG1-CG1 4.44Å; I403-V408 HydrophobicContact CG1-CG2 4.33Å; I403-V408 HydrophobicContact CG2-CB 4.19Å; I403-V408 PolarHBondContact O-N 2.96Å; I403-F411 HydrophobicContact CD1-CD1 4.23Å; I403-F411 HydrophobicContact CD1-CD2 4.09Å; I403-F411 HydrophobicContact CD1-CE1 4.47Å; I403-F411 HydrophobicContact CD1-CE2 4.31Å; I403-F411 HydrophobicContact CD1-CG 4.06Å; I403-F411 HydrophobicContact CG1-CD2 4.43Å; I403-L434 HydrophobicContact CB-CD2 4Å; I403-L434 HydrophobicContact CD1-CD2 4.41Å; I403-L434 HydrophobicContact CG2-CD2 3.63Å; I403-L437 HydrophobicContact CD1-CD1 4.31Å; I403-L437 HydrophobicContact CD1-CD2 4.4Å; I403-L437 HydrophobicContact CG2-CD1 4.2Å; I403-L437 HydrophobicContact CG2-CD2 3.95Å; I403-L437 HydrophobicContact CG2-CG 3.91Å
404	E	98.7	Very high	97	Very high	80 Å²	80	28.9 Å²	28.9	37%	0.374	15%	0.145	S	C	.	.	H	α-helix	trans	-64.7	-49.5	178.3	-178.4	-179.4	-113.7	0	0	111.4	W400 E401 Y406 K407 D433	W400-E404 PolarHBondContact O-N 3.17Å; E401-E404 PolarHBondContact O-N 2.89Å; E404-Y406 VanDerWaalsContact C-N 3.34Å; E404-Y406 PolarHBondContact O-N 2.96Å; E404-K407 PolarHBondContact O-N 3.23Å; E404-D433 HydrophobicContact CG-CB 4.31Å; E404-D433 WeakPolarHBondContact OE1-CB 3.44Å; E404-D433 PolarHBondContact OE1-N 3.32Å
405	K	98.6	Very high	96.3	Very high	84 Å²	84	25.7 Å²	25.7	37%	0.365	12%	0.124	S	C	.	.	H	α-helix	trans	-55.1	-47.2	-177.7	-179.9	179.9	179.2	-175.6	0	112.2	E145 E401	E145-K405 IonicContact OE1-NZ 2.64Å; E145-K405 PolarHBondContact OE1-NZ 3.49Å; E145-K405 VanDerWaalsContact OE1-NZ 3.14Å; E145-K405 IonicContact OE2-NZ 3.81Å; E145-K405 PolarHBondContact OE2-NZ 2.69Å; E401-K405 WeakPolarHBondContact O-CB 3.33Å; E401-K405 PolarHBondContact O-N 3.15Å
406	Y	98.7	Very high	95.3	Very high	22 Å²	22	23.9 Å²	23.9	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-101.4	4.5	-175.7	-61.7	-60	0	0	0	114	Y143 E145 V385 V402 E404 V408	Y143-Y406 AromaticContact CD1-CD1 3.73Å; Y143-Y406 HydrophobicContact CD1-CD1 3.73Å; Y143-Y406 AromaticContact CD1-CE1 3.64Å; Y143-Y406 HydrophobicContact CD1-CE1 3.64Å; Y143-Y406 AromaticContact CD2-CD1 3.69Å; Y143-Y406 HydrophobicContact CD2-CD1 3.69Å; Y143-Y406 HydrophobicContact CD2-CE1 4.32Å; Y143-Y406 HydrophobicContact CD2-CG 4.07Å; Y143-Y406 HydrophobicContact CE1-CD1 4.26Å; Y143-Y406 HydrophobicContact CE1-CE1 4.43Å; Y143-Y406 HydrophobicContact CE2-CD1 4.22Å; Y143-Y406 AromaticContact CG-CD1 3.41Å; Y143-Y406 HydrophobicContact CG-CD1 3.41Å; Y143-Y406 VanDerWaalsContact CG-CD1 3.41Å; Y143-Y406 AromaticContact CG-CE1 3.58Å; Y143-Y406 HydrophobicContact CG-CE1 3.58Å; Y143-Y406 HydrophobicContact CG-CG 4.08Å; E145-Y406 HydrophobicContact CB-CE2 4.28Å; E145-Y406 WeakPolarHBondContact OE2-CE2 3.4Å; E145-Y406 PolarHBondContact OE2-OH 3.44Å; V385-Y406 HydrophobicContact CG1-CD2 4.34Å; V385-Y406 HydrophobicContact CG2-CD2 3.92Å; V385-Y406 HydrophobicContact CG2-CG 4.13Å; V402-Y406 HydrophobicContact CG1-CD2 3.86Å; V402-Y406 HydrophobicContact CG1-CE2 4.27Å; V402-Y406 WeakPolarHBondContact O-CD2 3.38Å; V402-Y406 PolarHBondContact O-N 3.16Å; V402-Y406 VanDerWaalsContact O-N 3.12Å; E404-Y406 VanDerWaalsContact C-N 3.34Å; E404-Y406 PolarHBondContact O-N 2.96Å; Y406-V408 VanDerWaalsContact C-N 3.27Å; Y406-V408 PolarHBondContact O-N 3.21Å
407	K	98.8	Very high	94.6	Very high	145 Å²	145	23.1 Å²	23.1	63%	0.63	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.1	-179.2	-60.9	-175.1	178.8	-177	0	112.3	I403 E404 T409 T436	I403-K407 CarbonylContact O-C 3.28Å; I403-K407 VanDerWaalsContact O-CA 3.24Å; I403-K407 WeakPolarHBondContact O-CA 3.24Å; I403-K407 PolarHBondContact O-N 2.91Å; E404-K407 PolarHBondContact O-N 3.23Å; K407-T409 PolarHBondContact O-N 2.94Å; K407-T436 HydrophobicContact CB-CG2 3.84Å; K407-T436 HydrophobicContact CG-CG2 4.16Å
408	V	98.9	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.			trans	-56.8	131.4	-178.2	174.7	0	0	0	0	109.4	V357 W359 V385 I403 Y406 K410 F411 T436 L437	V357-V408 HydrophobicContact CG1-CG2 4.19Å; W359-V408 HydrophobicContact CB-CG1 3.82Å; W359-V408 HydrophobicContact CB-CG2 4.05Å; W359-V408 HydrophobicContact CE3-CG2 4.35Å; V385-V408 HydrophobicContact CG2-CG2 4.06Å; I403-V408 HydrophobicContact CB-CB 4.3Å; I403-V408 HydrophobicContact CG1-CB 4.07Å; I403-V408 HydrophobicContact CG1-CG1 4.44Å; I403-V408 HydrophobicContact CG1-CG2 4.33Å; I403-V408 HydrophobicContact CG2-CB 4.19Å; I403-V408 PolarHBondContact O-N 2.96Å; Y406-V408 VanDerWaalsContact C-N 3.27Å; Y406-V408 PolarHBondContact O-N 3.21Å; V408-K410 VanDerWaalsContact CG1-O 3.28Å; V408-K410 WeakPolarHBondContact CG1-O 3.43Å; V408-F411 HydrophobicContact CG1-CB 4.31Å; V408-T436 CarbonylContact O-C 3.47Å; V408-T436 WeakPolarHBondContact O-CB 3.36Å; V408-T436 PolarHBondContact O-OG1 3.38Å; V408-L437 HydrophobicContact CG1-CD2 4.13Å; V408-L437 WeakPolarHBondContact O-CD2 3.48Å; V408-L437 PolarHBondContact O-N 3Å
409	T	98.7	Very high	93.3	Very high	16 Å²	16	25.7 Å²	25.7	10%	0.098	12%	0.124	C	C	.	.	S	Bend	trans	-104.9	-27.4	178.1	65.6	0	0	0	0	112.2	D356 V357 K407 T436 R438 I439	D356-T409 WeakPolarHBondContact CA-OG1 3.24Å; D356-T409 VanDerWaalsContact CB-OG1 3.27Å; D356-T409 WeakPolarHBondContact CB-OG1 3.43Å; D356-T409 VanDerWaalsContact CG-OG1 3.27Å; D356-T409 WeakPolarHBondContact OD1-CB 3.36Å; D356-T409 PolarHBondContact OD1-OG1 3.47Å; V357-T409 PolarHBondContact N-OG1 2.93Å; V357-T409 PolarHBondContact O-N 3.27Å; V357-T409 PolarHBondContact O-OG1 3.47Å; K407-T409 PolarHBondContact O-N 2.94Å; T409-T436 WeakPolarHBondContact CA-O 3.44Å; T409-R438 PolarHBondContact O-N 3.17Å; T409-I439 PolarHBondContact O-N 3.43Å
410	K	98.6	Very high	92.3	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.7	178.6	-41.3	-63	165.7	136.7	0	109.5	F350 D351 D356 V357 Y358 W359 V408 I439	F350-K410 WeakPolarHBondContact O-CD 3.19Å; F350-K410 PolarHBondContact O-NZ 3.43Å; F350-K410 VanDerWaalsContact O-NZ 3.13Å; D351-K410 PolarHBondContact O-NZ 2.93Å; D356-K410 WeakPolarHBondContact OD1-CE 3.48Å; D356-K410 IonicContact OD1-NZ 3.64Å; D356-K410 WeakPolarHBondContact OD2-CE 3.4Å; D356-K410 IonicContact OD2-NZ 3.53Å; D356-K410 PolarHBondContact OD2-NZ 3.35Å; V357-K410 PolarHBondContact O-N 3.2Å; Y358-K410 HydrophobicContact CD2-CB 3.72Å; Y358-K410 HydrophobicContact CD2-CG 4.44Å; Y358-K410 HydrophobicContact CE2-CB 4.43Å; W359-K410 PolarHBondContact N-O 3.24Å; V408-K410 VanDerWaalsContact CG1-O 3.28Å; V408-K410 WeakPolarHBondContact CG1-O 3.43Å; K410-I439 WeakPolarHBondContact CA-O 3.16Å; K410-I439 HydrophobicContact CD-CB 3.79Å; K410-I439 HydrophobicContact CD-CD1 3.9Å; K410-I439 HydrophobicContact CD-CG1 4.12Å
411	F	98.9	Very high	91.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.2	-176.3	-179.2	-120.1	0	0	0	111.6	W359 T361 F399 W400 I403 V408 T413 L437 I439 L440 G441 Y455	W359-F411 HydrophobicContact CB-CD2 4.39Å; W359-F411 HydrophobicContact CD2-CD2 4.02Å; W359-F411 AromaticContact CD2-CE2 3.89Å; W359-F411 HydrophobicContact CD2-CE2 3.89Å; W359-F411 AromaticContact CE3-CD2 3.49Å; W359-F411 HydrophobicContact CE3-CD2 3.49Å; W359-F411 VanDerWaalsContact CE3-CD2 3.49Å; W359-F411 AromaticContact CE3-CE2 3.37Å; W359-F411 HydrophobicContact CE3-CE2 3.37Å; W359-F411 HydrophobicContact CG-CD2 4.41Å; W359-F411 HydrophobicContact CH2-CE2 4.24Å; W359-F411 HydrophobicContact CZ3-CD2 4.09Å; W359-F411 AromaticContact CZ3-CE2 3.55Å; W359-F411 HydrophobicContact CZ3-CE2 3.55Å; W359-F411 HydrophobicContact CZ3-CZ 4.44Å; T361-F411 HydrophobicContact CG2-CD2 4.35Å; T361-F411 HydrophobicContact CG2-CE2 3.37Å; T361-F411 HydrophobicContact CG2-CZ 3.8Å; F399-F411 HydrophobicContact CD2-CE2 4.35Å; F399-F411 AromaticContact CD2-CZ 3.61Å; F399-F411 HydrophobicContact CD2-CZ 3.61Å; F399-F411 AromaticContact CE2-CZ 4Å; F399-F411 HydrophobicContact CE2-CZ 4Å; F399-F411 HydrophobicContact CG-CZ 4.31Å; W400-F411 HydrophobicContact CZ3-CE1 4.46Å; I403-F411 HydrophobicContact CD1-CD1 4.23Å; I403-F411 HydrophobicContact CD1-CD2 4.09Å; I403-F411 HydrophobicContact CD1-CE1 4.47Å; I403-F411 HydrophobicContact CD1-CE2 4.31Å; I403-F411 HydrophobicContact CD1-CG 4.06Å; I403-F411 HydrophobicContact CG1-CD2 4.43Å; V408-F411 HydrophobicContact CG1-CB 4.31Å; F411-T413 HydrophobicContact CE1-CG2 3.71Å; F411-T413 HydrophobicContact CZ-CG2 3.97Å; F411-L437 HydrophobicContact CB-CD2 3.74Å; F411-I439 PolarHBondContact N-O 3.06Å; F411-L440 HydrophobicContact CB-CD2 4.05Å; F411-L440 HydrophobicContact CD1-CD2 4.17Å; F411-L440 CarbonylContact O-C 3.23Å; F411-L440 WeakPolarHBondContact O-CA 3.19Å; F411-G441 PolarHBondContact O-N 3.41Å; F411-Y455 HydrophobicContact CD1-CE2 4.05Å; F411-Y455 WeakPolarHBondContact CD1-OH 3.49Å; F411-Y455 HydrophobicContact CE1-CE2 4.12Å; F411-Y455 PolarHBondContact O-OH 2.98Å
412	Y	98.8	Very high	91.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.6	-172.9	-174	-137.3	0	0	0	111.1	F350 Y358 W359 C360 T361 T368 Y372 G441 V443 T469 W471 H478	F350-Y412 HydrophobicContact CE1-CD1 4.47Å; F350-Y412 AromaticContact CE1-CD2 3.86Å; F350-Y412 HydrophobicContact CE1-CD2 3.86Å; F350-Y412 HydrophobicContact CE1-CE2 4.34Å; F350-Y412 AromaticContact CE1-CG 3.91Å; F350-Y412 HydrophobicContact CE1-CG 3.91Å; F350-Y412 AromaticContact CZ-CD1 3.75Å; F350-Y412 HydrophobicContact CZ-CD1 3.75Å; F350-Y412 AromaticContact CZ-CD2 3.74Å; F350-Y412 HydrophobicContact CZ-CD2 3.74Å; F350-Y412 AromaticContact CZ-CE1 3.93Å; F350-Y412 HydrophobicContact CZ-CE1 3.93Å; F350-Y412 AromaticContact CZ-CE2 3.91Å; F350-Y412 HydrophobicContact CZ-CE2 3.91Å; F350-Y412 AromaticContact CZ-CG 3.63Å; F350-Y412 HydrophobicContact CZ-CG 3.63Å; F350-Y412 AromaticContact CZ-CZ 3.99Å; Y358-Y412 WeakPolarHBondContact OH-CD1 3.22Å; W359-Y412 PolarHBondContact O-N 2.67Å; C360-Y412 WeakPolarHBondContact CA-O 3.16Å; C360-Y412 HydrophobicContact CB-CD1 3.97Å; C360-Y412 VanDerWaalsContact SG-CD1 3.58Å; T361-Y412 PolarHBondContact N-O 2.92Å; T368-Y412 HydrophobicContact CG2-CD1 4.26Å; T368-Y412 HydrophobicContact CG2-CE1 3.58Å; Y372-Y412 HydrophobicContact CD2-CE1 4.15Å; Y372-Y412 HydrophobicContact CG-CE1 4.33Å; Y412-G441 VanDerWaalsContact CD2-C 3.48Å; Y412-V443 HydrophobicContact CD2-CG1 4.27Å; Y412-V443 HydrophobicContact CE1-CB 4.26Å; Y412-V443 HydrophobicContact CE1-CG1 3.95Å; Y412-V443 HydrophobicContact CE2-CB 3.54Å; Y412-V443 HydrophobicContact CE2-CG1 3.69Å; Y412-V443 HydrophobicContact CE2-CG2 4.45Å; Y412-V443 WeakPolarHBondContact OH-CB 3.32Å; Y412-V443 WeakPolarHBondContact OH-CG2 3.36Å; Y412-T469 HydrophobicContact CE2-CG2 4.2Å; Y412-T469 WeakPolarHBondContact CE2-OG1 3.27Å; Y412-T469 PolarHBondContact OH-OG1 2.69Å; Y412-W471 PolarHBondContact OH-NE1 3.37Å; Y412-H478 AromaticContact CZ-NE2 3.87Å; Y412-H478 PolarHBondContact OH-NE2 2.81Å
413	T	96.3	Very high	90.4	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	169.6	-175.2	-163.6	0	0	0	0	112.9	T361 F411 I418 G441 T442 V443	T361-T413 WeakPolarHBondContact OG1-CB 3.12Å; T361-T413 PolarHBondContact OG1-OG1 2.93Å; F411-T413 HydrophobicContact CE1-CG2 3.71Å; F411-T413 HydrophobicContact CZ-CG2 3.97Å; T413-I418 HydrophobicContact CG2-CD1 4.03Å; T413-I418 HydrophobicContact CG2-CG1 3.69Å; T413-G441 PolarHBondContact N-O 3.24Å; T413-T442 VanDerWaalsContact O-CA 3.26Å; T413-T442 WeakPolarHBondContact O-CA 3.37Å; T413-T442 PolarHBondContact O-OG1 3.35Å; T413-V443 PolarHBondContact O-N 3.48Å
414	A	82.2	Confident	89.7	Confident	27 Å²	27	40.4 Å²	40.4	22%	0.223	19%	0.189	C	C	.	.			trans	-83.4	148.1	-179.7	0	0	0	0	0	111.8	T416 A417 I418	A414-T416 PolarHBondContact O-N 2.6Å; A414-A417 PolarHBondContact O-N 2.63Å; A414-I418 PolarHBondContact O-N 3.35Å
415	P	81.8	Confident	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-51.5	-31.5	171	-28.1	35.1	0	0	0	113.8	I418 R419 T442 V443 E445 I447	P415-I418 PolarHBondContact O-N 2.64Å; P415-R419 VanDerWaalsContact CB-NH1 3.28Å; P415-R419 WeakPolarHBondContact O-CB 3.29Å; P415-R419 WeakPolarHBondContact O-CG 3.13Å; P415-R419 PolarHBondContact O-N 3.23Å; P415-T442 VanDerWaalsContact CD-OG1 3.26Å; P415-T442 WeakPolarHBondContact CD-OG1 3.11Å; P415-T442 VanDerWaalsContact CG-OG1 3.3Å; P415-T442 WeakPolarHBondContact CG-OG1 3.37Å; P415-V443 WeakPolarHBondContact CD-O 3.34Å; P415-E445 HydrophobicContact CG-CB 4.14Å; P415-E445 WeakPolarHBondContact CG-O 3.4Å; P415-I447 HydrophobicContact CB-CB 4.33Å; P415-I447 HydrophobicContact CB-CG1 4.36Å; P415-I447 HydrophobicContact CG-CB 4.05Å; P415-I447 HydrophobicContact CG-CG1 4.49Å
416	T	73.9	Confident	88.7	Confident	33 Å²	33	38.2 Å²	38.2	20%	0.202	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-44.9	175.4	-49	0	0	0	0	112.5	A414 I418 R419 L420 E445 S664 G665	A414-T416 PolarHBondContact O-N 2.6Å; T416-I418 VanDerWaalsContact C-N 3.33Å; T416-R419 PolarHBondContact O-N 3.34Å; T416-L420 WeakPolarHBondContact O-CB 3.43Å; T416-L420 PolarHBondContact O-N 2.84Å; T416-E445 PolarHBondContact OG1-OE2 3.46Å; T416-E445 VanDerWaalsContact OG1-OE2 3.08Å; T416-S664 PolarHBondContact OG1-O 3.13Å; T416-G665 WeakPolarHBondContact OG1-CA 3.4Å
417	A	78.4	Confident	88.5	Confident	14 Å²	14	43 Å²	43	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-40.4	178.6	0	0	0	0	0	110.6	F399 A414 L420 L421	F399-A417 HydrophobicContact CE2-CB 4.25Å; A414-A417 PolarHBondContact O-N 2.63Å; A417-L420 WeakPolarHBondContact O-CB 3.36Å; A417-L420 PolarHBondContact O-N 3.02Å; A417-L421 WeakPolarHBondContact O-CG 3.31Å; A417-L421 PolarHBondContact O-N 2.98Å
418	I	85.1	Confident	88.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-53.9	174.4	-61.7	170.8	0	0	0	110.1	T413 A414 P415 T416 L420 L421 M422 I447 A451 W454 Y455	T413-I418 HydrophobicContact CG2-CD1 4.03Å; T413-I418 HydrophobicContact CG2-CG1 3.69Å; A414-I418 PolarHBondContact O-N 3.35Å; P415-I418 PolarHBondContact O-N 2.64Å; T416-I418 VanDerWaalsContact C-N 3.33Å; I418-L420 VanDerWaalsContact C-N 3.31Å; I418-L420 PolarHBondContact O-N 2.94Å; I418-L421 PolarHBondContact O-N 2.7Å; I418-M422 VanDerWaalsContact O-CB 3.31Å; I418-M422 WeakPolarHBondContact O-CB 3.41Å; I418-M422 PolarHBondContact O-N 2.96Å; I418-I447 HydrophobicContact CD1-CD1 4.05Å; I418-A451 HydrophobicContact CG2-CB 4.38Å; I418-W454 HydrophobicContact CG2-CE3 3.71Å; I418-W454 HydrophobicContact CG2-CZ3 3.86Å; I418-Y455 HydrophobicContact CD1-CD1 3.53Å; I418-Y455 HydrophobicContact CD1-CD2 4.18Å; I418-Y455 HydrophobicContact CD1-CE1 3.63Å; I418-Y455 HydrophobicContact CD1-CE2 4.29Å; I418-Y455 HydrophobicContact CD1-CG 3.82Å; I418-Y455 HydrophobicContact CG1-CD1 4.44Å; I418-Y455 HydrophobicContact CG1-CD2 4.23Å; I418-Y455 HydrophobicContact CG1-CE2 4.33Å; I418-Y455 HydrophobicContact CG1-CG 4.3Å; I418-Y455 HydrophobicContact CG2-CD2 4.5Å; I418-Y455 HydrophobicContact CG2-CG 4.31Å
419	R	81.1	Confident	87.9	Confident	57 Å²	57	37.8 Å²	37.8	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-35	178.6	-71.4	-172.8	-60.5	-94.5	0.3	112.9	P415 T416 K423 E445 A451	P415-R419 VanDerWaalsContact CB-NH1 3.28Å; P415-R419 WeakPolarHBondContact O-CB 3.29Å; P415-R419 WeakPolarHBondContact O-CG 3.13Å; P415-R419 PolarHBondContact O-N 3.23Å; T416-R419 PolarHBondContact O-N 3.34Å; R419-K423 WeakPolarHBondContact O-CG 3.42Å; R419-E445 IonicContact CZ-OE2 3.57Å; R419-E445 IonicContact NH2-OE2 2.74Å; R419-E445 PolarHBondContact NH2-OE2 3.33Å; R419-A451 HydrophobicContact CG-CB 3.98Å
420	L	77.7	Confident	87.7	Confident	62 Å²	62	43.7 Å²	43.7	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-50.2	175.5	173	63.1	0	0	0	110.7	P391 V392 T416 A417 I418 K423 Y424	P391-L420 HydrophobicContact CG-CD2 4Å; V392-L420 HydrophobicContact CG1-CD2 3.95Å; V392-L420 HydrophobicContact CG1-CG 4.3Å; T416-L420 WeakPolarHBondContact O-CB 3.43Å; T416-L420 PolarHBondContact O-N 2.84Å; A417-L420 WeakPolarHBondContact O-CB 3.36Å; A417-L420 PolarHBondContact O-N 3.02Å; I418-L420 VanDerWaalsContact C-N 3.31Å; I418-L420 PolarHBondContact O-N 2.94Å; L420-K423 WeakPolarHBondContact O-CB 3.46Å; L420-K423 PolarHBondContact O-N 2.77Å; L420-Y424 HydrophobicContact CD1-CE2 4.15Å; L420-Y424 WeakPolarHBondContact O-CD2 3.19Å
421	L	87	Confident	87.5	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-69.2	-37	-177.4	-68.4	167.8	0	0	0	111.8	P391 V392 V396 F399 W400 A417 I418 K423 Y424 W454	P391-L421 HydrophobicContact CB-CD1 4.24Å; P391-L421 HydrophobicContact CB-CD2 4.18Å; P391-L421 HydrophobicContact CB-CG 4.39Å; V392-L421 HydrophobicContact CG1-CD2 4.35Å; V396-L421 HydrophobicContact CG1-CD2 4.21Å; F399-L421 HydrophobicContact CD2-CD1 3.65Å; F399-L421 HydrophobicContact CE2-CD1 4.29Å; F399-L421 HydrophobicContact CG-CD1 4.35Å; W400-L421 HydrophobicContact CH2-CD1 3.87Å; W400-L421 HydrophobicContact CZ2-CB 4.11Å; W400-L421 HydrophobicContact CZ2-CD1 3.68Å; W400-L421 HydrophobicContact CZ2-CD2 4.48Å; W400-L421 HydrophobicContact CZ2-CG 4.3Å; A417-L421 WeakPolarHBondContact O-CG 3.31Å; A417-L421 PolarHBondContact O-N 2.98Å; I418-L421 PolarHBondContact O-N 2.7Å; L421-K423 PolarHBondContact O-N 3.04Å; L421-K423 VanDerWaalsContact O-N 3.14Å; L421-Y424 PolarHBondContact O-N 3.12Å; L421-W454 HydrophobicContact CB-CH2 4.05Å
422	M	85.1	Confident	87.5	Confident	45 Å²	45	51.9 Å²	51.9	22%	0.222	26%	0.256	C	S	.	.	H	α-helix	trans	-53.9	-33.1	175.3	-175.1	174.5	79.8	0	0	113.1	I418 Y424 G425 W454	I418-M422 VanDerWaalsContact O-CB 3.31Å; I418-M422 WeakPolarHBondContact O-CB 3.41Å; I418-M422 PolarHBondContact O-N 2.96Å; M422-Y424 PolarHBondContact O-N 2.91Å; M422-G425 PolarHBondContact O-N 3.41Å; M422-W454 HydrophobicContact CB-CD2 3.81Å; M422-W454 HydrophobicContact CB-CE3 4.04Å; M422-W454 HydrophobicContact CB-CG 4.25Å; M422-W454 HydrophobicContact CB-CH2 4.43Å; M422-W454 HydrophobicContact CB-CZ2 4.22Å; M422-W454 HydrophobicContact CB-CZ3 4.34Å; M422-W454 HydrophobicContact CG-CB 4.24Å; M422-W454 HydrophobicContact CG-CD2 3.74Å; M422-W454 HydrophobicContact CG-CE3 4.38Å; M422-W454 HydrophobicContact CG-CG 3.63Å; M422-W454 HydrophobicContact SD-CB 3.68Å; M422-W454 HydrophobicContact SD-CD2 4.22Å; M422-W454 HydrophobicContact SD-CG 3.76Å
423	K	82.1	Confident	87.4	Confident	128 Å²	128	55.6 Å²	55.6	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.2	179	-70.2	174.8	-178.8	-174.3	0	113.9	R419 L420 L421	R419-K423 WeakPolarHBondContact O-CG 3.42Å; L420-K423 WeakPolarHBondContact O-CB 3.46Å; L420-K423 PolarHBondContact O-N 2.77Å; L421-K423 PolarHBondContact O-N 3.04Å; L421-K423 VanDerWaalsContact O-N 3.14Å
424	Y	85.2	Confident	87.5	Confident	119 Å²	119	55.4 Å²	55.4	47%	0.467	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	5.1	-178.6	-64.4	-83.8	0	0	0	113.4	V392 V396 L420 L421 M422 P428	V392-Y424 HydrophobicContact CG1-CE2 4.39Å; V396-Y424 HydrophobicContact CB-CG 4.41Å; V396-Y424 HydrophobicContact CG1-CD1 4.07Å; V396-Y424 HydrophobicContact CG1-CD2 3.55Å; V396-Y424 HydrophobicContact CG1-CE2 4.17Å; V396-Y424 HydrophobicContact CG1-CG 3.48Å; V396-Y424 VanDerWaalsContact CG1-CG 3.48Å; V396-Y424 HydrophobicContact CG2-CD1 3.85Å; V396-Y424 HydrophobicContact CG2-CD2 4.26Å; V396-Y424 HydrophobicContact CG2-CE1 3.77Å; V396-Y424 HydrophobicContact CG2-CE2 4.19Å; V396-Y424 HydrophobicContact CG2-CG 4.09Å; L420-Y424 HydrophobicContact CD1-CE2 4.15Å; L420-Y424 WeakPolarHBondContact O-CD2 3.19Å; L421-Y424 PolarHBondContact O-N 3.12Å; M422-Y424 PolarHBondContact O-N 2.91Å; Y424-P428 WeakPolarHBondContact O-CD 3.45Å
425	G	86.3	Confident	88.2	Confident	36 Å²	36	57 Å²	57	37%	0.371	28%	0.284	S	S	.	.			trans	68.6	-157.2	178.6	0	0	0	0	0	113.4	M422	M422-G425 PolarHBondContact O-N 3.41Å
426	L	90	Very high	89	Confident	83 Å²	83	58.6 Å²	58.6	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-90.4	-27.6	-171.9	-56.9	179.2	0	0	0	113.8	P428 L429 Q430 T458	L426-P428 VanDerWaalsContact C-CD 3.48Å; L426-L429 PolarHBondContact O-N 3.47Å; L426-Q430 HydrophobicContact CB-CG 4.4Å; L426-Q430 WeakPolarHBondContact O-CG 3.31Å; L426-Q430 PolarHBondContact O-N 3.04Å; L426-T458 HydrophobicContact CD2-CG2 3.26Å
427	E	93.5	Very high	90.2	Very high	123 Å²	123	57 Å²	57	58%	0.575	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.4	-170.3	-164.7	-139.9	128.8	0	0	113.8	L429 K431	E427-L429 VanDerWaalsContact C-N 3.26Å; E427-L429 PolarHBondContact O-N 3.44Å; E427-K431 WeakPolarHBondContact OE1-CE 3.37Å; E427-K431 IonicContact OE1-NZ 2.76Å; E427-K431 PolarHBondContact OE1-NZ 2.64Å
428	P	92.6	Very high	91.1	Very high	22 Å²	22	63.4 Å²	63.4	14%	0.143	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30	178.1	-21.9	34.4	0	0	0	113.6	V396 Y424 L426 Y432	V396-P428 HydrophobicContact CB-CB 4.25Å; V396-P428 HydrophobicContact CB-CG 4.32Å; V396-P428 HydrophobicContact CG1-CB 3.94Å; V396-P428 HydrophobicContact CG1-CG 3.87Å; Y424-P428 WeakPolarHBondContact O-CD 3.45Å; L426-P428 VanDerWaalsContact C-CD 3.48Å; P428-Y432 WeakPolarHBondContact O-CD2 3.32Å; P428-Y432 WeakPolarHBondContact O-CE2 3.25Å
429	L	92.6	Very high	91.7	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.063	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-35.3	-177.7	173.8	147.6	0	0	0	112.3	W400 L426 E427 K431 Y432 L434 T458 V459	W400-L429 VanDerWaalsContact CD1-CA 3.41Å; W400-L429 HydrophobicContact CD2-CB 4.32Å; W400-L429 HydrophobicContact CD2-CD1 3.9Å; W400-L429 HydrophobicContact CD2-CG 4.25Å; W400-L429 HydrophobicContact CE3-CD1 4.09Å; W400-L429 HydrophobicContact CG-CB 4.16Å; W400-L429 HydrophobicContact CG-CD1 4.46Å; W400-L429 HydrophobicContact CG-CG 4.3Å; W400-L429 HydrophobicContact CH2-CD1 4.2Å; W400-L429 HydrophobicContact CZ2-CD1 3.97Å; W400-L429 HydrophobicContact CZ3-CD1 4.26Å; L426-L429 PolarHBondContact O-N 3.47Å; E427-L429 VanDerWaalsContact C-N 3.26Å; E427-L429 PolarHBondContact O-N 3.44Å; L429-K431 PolarHBondContact O-N 3.33Å; L429-Y432 PolarHBondContact O-N 2.97Å; L429-Y432 VanDerWaalsContact O-N 3.14Å; L429-L434 HydrophobicContact CD1-CD1 3.45Å; L429-L434 VanDerWaalsContact CD1-CD1 3.45Å; L429-L434 HydrophobicContact CD2-CD1 4.02Å; L429-L434 HydrophobicContact CG-CD1 3.61Å; L429-T458 HydrophobicContact CD1-CG2 4.02Å; L429-T458 HydrophobicContact CD2-CG2 4.34Å; L429-V459 HydrophobicContact CD1-CB 4.48Å; L429-V459 HydrophobicContact CD1-CG2 3.96Å
430	Q	93.7	Very high	92.5	Very high	140 Å²	140	60.6 Å²	60.6	65%	0.654	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.4	-177.3	-76	176	-26.1	0	0	114.7	L426 Y432	L426-Q430 HydrophobicContact CB-CG 4.4Å; L426-Q430 WeakPolarHBondContact O-CG 3.31Å; L426-Q430 PolarHBondContact O-N 3.04Å; Q430-Y432 VanDerWaalsContact C-N 3.3Å
431	K	95.7	Very high	93.5	Very high	131 Å²	131	57.7 Å²	57.7	57%	0.57	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.5	179.8	-62.9	174.1	-171.5	173.9	0	113.2	E427 L429	E427-K431 WeakPolarHBondContact OE1-CE 3.37Å; E427-K431 IonicContact OE1-NZ 2.76Å; E427-K431 PolarHBondContact OE1-NZ 2.64Å; L429-K431 PolarHBondContact O-N 3.33Å
432	Y	97.8	Very high	93.9	Very high	45 Å²	45	57.3 Å²	57.3	18%	0.176	28%	0.278	C	S	.	.	S	Bend	trans	-127.7	146.6	-170.4	-54.9	-81.6	0	0	0	111.4	H395 G397 W400 E401 P428 L429 Q430	H395-Y432 PolarHBondContact CE1-OH 3.18Å; G397-Y432 WeakPolarHBondContact O-CE2 3.42Å; W400-Y432 HydrophobicContact CB-CD2 3.39Å; W400-Y432 HydrophobicContact CB-CE2 4.08Å; W400-Y432 HydrophobicContact CB-CG 3.73Å; W400-Y432 HydrophobicContact CG-CD2 4.28Å; E401-Y432 HydrophobicContact CB-CD1 4.04Å; E401-Y432 HydrophobicContact CB-CE1 3.49Å; E401-Y432 VanDerWaalsContact CB-CE1 3.49Å; E401-Y432 HydrophobicContact CG-CE1 3.85Å; P428-Y432 WeakPolarHBondContact O-CD2 3.32Å; P428-Y432 WeakPolarHBondContact O-CE2 3.25Å; L429-Y432 PolarHBondContact O-N 2.97Å; L429-Y432 VanDerWaalsContact O-N 3.14Å; Q430-Y432 VanDerWaalsContact C-N 3.3Å
433	D	97.9	Very high	94.2	Very high	78 Å²	78	55.6 Å²	55.6	42%	0.417	27%	0.27	S	S	.	.			trans	-81	115.6	172.3	-174.7	17.5	0	0	0	111.8	E404 S435	E404-D433 HydrophobicContact CG-CB 4.31Å; E404-D433 WeakPolarHBondContact OE1-CB 3.44Å; E404-D433 PolarHBondContact OE1-N 3.32Å; D433-S435 VanDerWaalsContact CG-OG 3.22Å; D433-S435 WeakPolarHBondContact OD1-CB 3.46Å; D433-S435 PolarHBondContact OD1-N 3.08Å; D433-S435 PolarHBondContact OD1-OG 2.9Å; D433-S435 PolarHBondContact OD2-OG 3.36Å
434	L	97.9	Very high	93.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.			trans	-105	13.9	175.5	-53.5	-172.2	0	0	0	112.6	W400 I403 L429 T436 L437 V459 R463	W400-L434 HydrophobicContact CB-CD2 4.14Å; W400-L434 HydrophobicContact CE3-CD1 4.16Å; W400-L434 HydrophobicContact CE3-CD2 4.42Å; I403-L434 HydrophobicContact CB-CD2 4Å; I403-L434 HydrophobicContact CD1-CD2 4.41Å; I403-L434 HydrophobicContact CG2-CD2 3.63Å; L429-L434 HydrophobicContact CD1-CD1 3.45Å; L429-L434 VanDerWaalsContact CD1-CD1 3.45Å; L429-L434 HydrophobicContact CD2-CD1 4.02Å; L429-L434 HydrophobicContact CG-CD1 3.61Å; L434-T436 PolarHBondContact O-N 2.96Å; L434-L437 HydrophobicContact CB-CD1 4Å; L434-L437 HydrophobicContact CD1-CD1 4.48Å; L434-L437 WeakPolarHBondContact O-CB 3.48Å; L434-L437 PolarHBondContact O-N 3.14Å; L434-V459 HydrophobicContact CD1-CG1 4.32Å; L434-R463 PolarHBondContact O-NH2 2.96Å
435	S	97.3	Very high	93.4	Very high	59 Å²	59	48.6 Å²	48.6	41%	0.413	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.7	-175.4	67.5	0	0	0	0	113.5	D433 L437 R463	D433-S435 VanDerWaalsContact CG-OG 3.22Å; D433-S435 WeakPolarHBondContact OD1-CB 3.46Å; D433-S435 PolarHBondContact OD1-N 3.08Å; D433-S435 PolarHBondContact OD1-OG 2.9Å; D433-S435 PolarHBondContact OD2-OG 3.36Å; S435-L437 VanDerWaalsContact C-N 3.3Å; S435-L437 PolarHBondContact O-N 3.39Å; S435-R463 PolarHBondContact O-NH1 3.11Å
436	T	98.1	Very high	92.9	Very high	34 Å²	34	50.4 Å²	50.4	21%	0.209	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.6	-179.2	58.6	0	0	0	0	113.4	K407 V408 T409 L434 R438	K407-T436 HydrophobicContact CB-CG2 3.84Å; K407-T436 HydrophobicContact CG-CG2 4.16Å; V408-T436 CarbonylContact O-C 3.47Å; V408-T436 WeakPolarHBondContact O-CB 3.36Å; V408-T436 PolarHBondContact O-OG1 3.38Å; T409-T436 WeakPolarHBondContact CA-O 3.44Å; L434-T436 PolarHBondContact O-N 2.96Å; T436-R438 PolarHBondContact O-N 3.07Å
437	L	98.3	Very high	92.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.			trans	-61.1	135.4	178.7	-65.7	173.8	0	0	0	110.8	I403 V408 F411 L434 S435 L440 V459 R463 C464	I403-L437 HydrophobicContact CD1-CD1 4.31Å; I403-L437 HydrophobicContact CD1-CD2 4.4Å; I403-L437 HydrophobicContact CG2-CD1 4.2Å; I403-L437 HydrophobicContact CG2-CD2 3.95Å; I403-L437 HydrophobicContact CG2-CG 3.91Å; V408-L437 HydrophobicContact CG1-CD2 4.13Å; V408-L437 WeakPolarHBondContact O-CD2 3.48Å; V408-L437 PolarHBondContact O-N 3Å; F411-L437 HydrophobicContact CB-CD2 3.74Å; L434-L437 HydrophobicContact CB-CD1 4Å; L434-L437 HydrophobicContact CD1-CD1 4.48Å; L434-L437 WeakPolarHBondContact O-CB 3.48Å; L434-L437 PolarHBondContact O-N 3.14Å; S435-L437 VanDerWaalsContact C-N 3.3Å; S435-L437 PolarHBondContact O-N 3.39Å; L437-L440 HydrophobicContact CD1-CD2 4.16Å; L437-V459 HydrophobicContact CD1-CG1 4.06Å; L437-R463 PolarHBondContact O-NH1 2.73Å; L437-C464 PolarHBondContact O-SG 2.98Å
438	R	97.2	Very high	91.6	Very high	149 Å²	149	43.3 Å²	43.3	56%	0.562	23%	0.232	S	C	*	.			trans	-124.2	-37	176.6	-63.8	-173.9	178.1	-154.5	0.8	112.2	T409 T436 C464 P465	T409-R438 PolarHBondContact O-N 3.17Å; T436-R438 PolarHBondContact O-N 3.07Å; R438-C464 WeakPolarHBondContact O-CA 3.45Å; R438-P465 WeakPolarHBondContact O-CD 3.21Å
439	I	98.4	Very high	91	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.2	-179.9	-65.7	166	0	0	0	109.3	L54 F350 D351 T409 K410 F411 P465 V467 P484	L54-I439 HydrophobicContact CD1-CD1 4.45Å; L54-I439 HydrophobicContact CD2-CD1 4.47Å; L54-I439 HydrophobicContact CD2-CG1 4.46Å; F350-I439 HydrophobicContact CD1-CG2 4.48Å; F350-I439 WeakPolarHBondContact O-CD1 3.44Å; D351-I439 HydrophobicContact CB-CD1 3.74Å; T409-I439 PolarHBondContact O-N 3.43Å; K410-I439 WeakPolarHBondContact CA-O 3.16Å; K410-I439 HydrophobicContact CD-CB 3.79Å; K410-I439 HydrophobicContact CD-CD1 3.9Å; K410-I439 HydrophobicContact CD-CG1 4.12Å; F411-I439 PolarHBondContact N-O 3.06Å; I439-P465 HydrophobicContact CG1-CG 4.22Å; I439-V467 HydrophobicContact CG2-CG1 4.23Å; I439-V467 HydrophobicContact CG2-CG2 4.2Å; I439-P484 HydrophobicContact CD1-CB 3.78Å; I439-P484 HydrophobicContact CD1-CG 3.52Å; I439-P484 HydrophobicContact CG1-CB 4.01Å; I439-P484 HydrophobicContact CG1-CG 4.31Å; I439-P484 HydrophobicContact CG2-CB 4.5Å
440	L	98.8	Very high	90.4	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.5	170.1	-64	-178	0	0	0	108.5	F411 L437 Y455 V459 C464 P465 V466 V467	F411-L440 HydrophobicContact CB-CD2 4.05Å; F411-L440 HydrophobicContact CD1-CD2 4.17Å; F411-L440 CarbonylContact O-C 3.23Å; F411-L440 WeakPolarHBondContact O-CA 3.19Å; L437-L440 HydrophobicContact CD1-CD2 4.16Å; L440-Y455 HydrophobicContact CB-CD1 4.22Å; L440-Y455 HydrophobicContact CB-CE1 3.61Å; L440-Y455 HydrophobicContact CB-CE2 4.43Å; L440-Y455 HydrophobicContact CD1-CD1 4.14Å; L440-Y455 HydrophobicContact CD1-CD2 3.91Å; L440-Y455 HydrophobicContact CD1-CE1 4.14Å; L440-Y455 HydrophobicContact CD1-CE2 3.87Å; L440-Y455 HydrophobicContact CD1-CG 4.04Å; L440-Y455 VanDerWaalsContact CD1-O 3.32Å; L440-Y455 WeakPolarHBondContact CD1-O 3.1Å; L440-Y455 HydrophobicContact CD2-CE2 3.98Å; L440-Y455 HydrophobicContact CG-CE1 4.33Å; L440-Y455 HydrophobicContact CG-CE2 4.32Å; L440-V459 HydrophobicContact CD1-CB 4.34Å; L440-V459 HydrophobicContact CD1-CG1 4.44Å; L440-V459 HydrophobicContact CD2-CG1 4.17Å; L440-C464 HydrophobicContact CD1-CB 4.16Å; L440-C464 HydrophobicContact CG-CB 3.75Å; L440-P465 PolarHBondContact N-O 3Å; L440-P465 VanDerWaalsContact O-O 3.12Å; L440-V466 HydrophobicContact CB-CG2 4.08Å; L440-V466 HydrophobicContact CD1-CG2 4.13Å; L440-V466 CarbonylContact O-C 3.53Å; L440-V466 VanDerWaalsContact O-CA 3.27Å; L440-V466 WeakPolarHBondContact O-CA 3.28Å; L440-V467 WeakPolarHBondContact O-CG2 3.38Å; L440-V467 PolarHBondContact O-N 3.12Å
441	G	98.4	Very high	89.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.8	172.9	0	0	0	0	0	112	F411 Y412 T413 Y455 V467	F411-G441 PolarHBondContact O-N 3.41Å; Y412-G441 VanDerWaalsContact CD2-C 3.48Å; T413-G441 PolarHBondContact N-O 3.24Å; G441-Y455 PolarHBondContact O-OH 3.21Å; G441-V467 CarbonylContact C-O 3.56Å; G441-V467 WeakPolarHBondContact CA-O 3.32Å
442	T	95.8	Very high	89.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.2	175.6	-164.3	0	0	0	0	112.9	T413 P415 I447 V466 V467 D468 T469	T413-T442 VanDerWaalsContact O-CA 3.26Å; T413-T442 WeakPolarHBondContact O-CA 3.37Å; T413-T442 PolarHBondContact O-OG1 3.35Å; P415-T442 VanDerWaalsContact CD-OG1 3.26Å; P415-T442 WeakPolarHBondContact CD-OG1 3.11Å; P415-T442 VanDerWaalsContact CG-OG1 3.3Å; P415-T442 WeakPolarHBondContact CG-OG1 3.37Å; T442-I447 HydrophobicContact CG2-CB 4.34Å; T442-I447 HydrophobicContact CG2-CD1 4.02Å; T442-I447 HydrophobicContact CG2-CG2 4.06Å; T442-V466 HydrophobicContact CG2-CG1 4.35Å; T442-V467 PolarHBondContact N-O 3.1Å; T442-D468 HydrophobicContact CG2-CB 3.89Å; T442-T469 PolarHBondContact O-N 2.91Å; T442-T469 PolarHBondContact O-OG1 3.06Å
443	V	91.7	Very high	89.5	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.055	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	150.7	-169	60	0	0	0	0	115.1	T368 Y412 T413 P415 E445 W471	T368-V443 HydrophobicContact CG2-CG1 4.15Å; T368-V443 HydrophobicContact CG2-CG2 4.39Å; Y412-V443 HydrophobicContact CD2-CG1 4.27Å; Y412-V443 HydrophobicContact CE1-CB 4.26Å; Y412-V443 HydrophobicContact CE1-CG1 3.95Å; Y412-V443 HydrophobicContact CE2-CB 3.54Å; Y412-V443 HydrophobicContact CE2-CG1 3.69Å; Y412-V443 HydrophobicContact CE2-CG2 4.45Å; Y412-V443 WeakPolarHBondContact OH-CB 3.32Å; Y412-V443 WeakPolarHBondContact OH-CG2 3.36Å; T413-V443 PolarHBondContact O-N 3.48Å; P415-V443 WeakPolarHBondContact CD-O 3.34Å; V443-E445 VanDerWaalsContact C-N 3.34Å; V443-E445 PolarHBondContact O-N 3.12Å; V443-W471 HydrophobicContact CG2-CZ2 4.21Å
444	G	75.8	Confident	89.4	Confident	63 Å²	63	36.7 Å²	36.7	65%	0.649	20%	0.204	S	C	*	.	S	Bend	trans	95.5	-17.3	159.8	0	0	0	0	0	114.1
445	E	74.3	Confident	89.3	Confident	36 Å²	36	36.8 Å²	36.8	17%	0.168	20%	0.204	C	C	.	.	S	Bend	trans	-148.1	155.9	177.5	-58.7	-178.2	167.5	0	0	109.8	P415 T416 R419 V443 I447 G665 K666	P415-E445 HydrophobicContact CG-CB 4.14Å; P415-E445 WeakPolarHBondContact CG-O 3.4Å; T416-E445 PolarHBondContact OG1-OE2 3.46Å; T416-E445 VanDerWaalsContact OG1-OE2 3.08Å; R419-E445 IonicContact CZ-OE2 3.57Å; R419-E445 IonicContact NH2-OE2 2.74Å; R419-E445 PolarHBondContact NH2-OE2 3.33Å; V443-E445 VanDerWaalsContact C-N 3.34Å; V443-E445 PolarHBondContact O-N 3.12Å; E445-I447 PolarHBondContact O-N 3.31Å; E445-G665 VanDerWaalsContact OE1-C 3.31Å; E445-K666 WeakPolarHBondContact OE1-CA 3.45Å; E445-K666 WeakPolarHBondContact OE1-CB 3.48Å; E445-K666 PolarHBondContact OE1-N 3.01Å
446	P	76.2	Confident	89.3	Confident	75 Å²	75	35.8 Å²	35.8	49%	0.487	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-55.6	131.2	164.8	-24	34.6	0	0	0	111
447	I	78	Confident	89.2	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.031	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-93	125.5	170.6	-168.7	168.8	0	0	0	109.3	P415 I418 T442 E445 A451 W452 G492	P415-I447 HydrophobicContact CB-CB 4.33Å; P415-I447 HydrophobicContact CB-CG1 4.36Å; P415-I447 HydrophobicContact CG-CB 4.05Å; P415-I447 HydrophobicContact CG-CG1 4.49Å; I418-I447 HydrophobicContact CD1-CD1 4.05Å; T442-I447 HydrophobicContact CG2-CB 4.34Å; T442-I447 HydrophobicContact CG2-CD1 4.02Å; T442-I447 HydrophobicContact CG2-CG2 4.06Å; E445-I447 PolarHBondContact O-N 3.31Å; I447-A451 HydrophobicContact CG1-CB 4.12Å; I447-W452 HydrophobicContact CD1-CB 3.91Å; I447-W452 HydrophobicContact CD1-CG 4.46Å; I447-W452 HydrophobicContact CG1-CB 4.08Å; I447-W452 HydrophobicContact CG2-CB 4.38Å; I447-G492 WeakPolarHBondContact O-CA 3.33Å
448	N	76.5	Confident	89.1	Confident	51 Å²	51	38.3 Å²	38.3	27%	0.273	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-74.5	148.7	175.8	64.8	-68.8	0	0	0	110.4	E450 A451 W452	N448-E450 VanDerWaalsContact C-N 3.29Å; N448-E450 PolarHBondContact O-N 3.31Å; N448-E450 VanDerWaalsContact O-N 3.16Å; N448-A451 PolarHBondContact ND2-N 3.34Å; N448-A451 PolarHBondContact O-N 3.16Å; N448-A451 WeakPolarHBondContact OD1-CB 3.34Å; N448-W452 PolarHBondContact O-N 2.89Å
449	P	80.4	Confident	89.1	Confident	62 Å²	62	31.2 Å²	31.2	40%	0.403	18%	0.176	S	C	.	.	H	α-helix	trans	-52.7	-40.2	-175.8	-31	36.4	0	0	0	114.7	A451 W452 Q453 P491	P449-A451 PolarHBondContact O-N 3.31Å; P449-W452 WeakPolarHBondContact O-CB 3.49Å; P449-W452 PolarHBondContact O-N 2.97Å; P449-Q453 VanDerWaalsContact O-CB 3.31Å; P449-Q453 WeakPolarHBondContact O-CB 3.24Å; P449-Q453 PolarHBondContact O-N 3.41Å; P449-P491 HydrophobicContact CB-CB 4.13Å
450	E	80.4	Confident	89	Confident	133 Å²	133	31.2 Å²	31.2	62%	0.621	18%	0.176	S	C	*	.	H	α-helix	trans	-61.5	-44.3	177.5	179.7	-172.4	-169.7	0	0	112.5	N448 Q453 W454	N448-E450 VanDerWaalsContact C-N 3.29Å; N448-E450 PolarHBondContact O-N 3.31Å; N448-E450 VanDerWaalsContact O-N 3.16Å; E450-Q453 PolarHBondContact O-N 2.91Å; E450-W454 WeakPolarHBondContact O-CB 3.44Å; E450-W454 PolarHBondContact O-N 2.92Å
451	A	81.6	Confident	88.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-36.6	177.7	0	0	0	0	0	111.7	I418 R419 I447 N448 P449 Y455	I418-A451 HydrophobicContact CG2-CB 4.38Å; R419-A451 HydrophobicContact CG-CB 3.98Å; I447-A451 HydrophobicContact CG1-CB 4.12Å; N448-A451 PolarHBondContact ND2-N 3.34Å; N448-A451 PolarHBondContact O-N 3.16Å; N448-A451 WeakPolarHBondContact OD1-CB 3.34Å; P449-A451 PolarHBondContact O-N 3.31Å; A451-Y455 WeakPolarHBondContact O-CB 3.14Å; A451-Y455 PolarHBondContact O-N 2.83Å
452	W	93	Very high	88.7	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-46.7	173.6	-173.4	101.7	0	0	0	110.9	Y48 I447 N448 P449 Y455 Y456 V466 L489 P491	Y48-W452 AromaticContact CD1-CH2 3.89Å; Y48-W452 HydrophobicContact CD1-CH2 3.89Å; Y48-W452 AromaticContact CD1-CZ3 4Å; Y48-W452 HydrophobicContact CD1-CZ3 4Å; Y48-W452 AromaticContact CD2-CH2 3.92Å; Y48-W452 HydrophobicContact CD2-CH2 3.92Å; Y48-W452 HydrophobicContact CD2-CZ3 4.04Å; Y48-W452 HydrophobicContact CE1-CH2 4.38Å; Y48-W452 HydrophobicContact CE1-CZ3 4.01Å; Y48-W452 HydrophobicContact CE2-CH2 4.45Å; Y48-W452 HydrophobicContact CE2-CZ3 4.11Å; Y48-W452 AromaticContact CG-CH2 3.65Å; Y48-W452 HydrophobicContact CG-CH2 3.65Å; Y48-W452 HydrophobicContact CG-CZ3 4.03Å; I447-W452 HydrophobicContact CD1-CB 3.91Å; I447-W452 HydrophobicContact CD1-CG 4.46Å; I447-W452 HydrophobicContact CG1-CB 4.08Å; I447-W452 HydrophobicContact CG2-CB 4.38Å; N448-W452 PolarHBondContact O-N 2.89Å; P449-W452 WeakPolarHBondContact O-CB 3.49Å; P449-W452 PolarHBondContact O-N 2.97Å; W452-Y455 WeakPolarHBondContact O-CB 3.21Å; W452-Y455 PolarHBondContact O-N 3.41Å; W452-Y456 HydrophobicContact CH2-CD2 4.39Å; W452-Y456 HydrophobicContact CH2-CG 4.15Å; W452-Y456 HydrophobicContact CZ3-CD1 4.28Å; W452-Y456 HydrophobicContact CZ3-CG 4.05Å; W452-Y456 PolarHBondContact O-N 2.91Å; W452-V466 HydrophobicContact CZ2-CB 3.85Å; W452-V466 HydrophobicContact CZ2-CG2 4.27Å; W452-L489 HydrophobicContact CH2-CB 4.44Å; W452-L489 HydrophobicContact CZ2-CB 3.95Å; W452-L489 HydrophobicContact CZ2-CD1 3.96Å; W452-P491 HydrophobicContact CB-CB 4.28Å; W452-P491 HydrophobicContact CD2-CB 3.76Å; W452-P491 HydrophobicContact CD2-CG 4.11Å; W452-P491 HydrophobicContact CE3-CB 3.6Å; W452-P491 HydrophobicContact CE3-CG 3.56Å; W452-P491 HydrophobicContact CG-CB 4.05Å; W452-P491 HydrophobicContact CH2-CG 4.33Å; W452-P491 HydrophobicContact CZ3-CB 4.26Å; W452-P491 HydrophobicContact CZ3-CG 3.7Å
453	Q	94.1	Very high	88.7	Confident	60 Å²	60	46.9 Å²	46.9	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-45.3	180	-168.7	119.2	20.6	0	0	111.3	Y48 P449 E450 Y455 Y456 E457	Y48-Q453 PolarHBondContact OH-NE2 3.3Å; P449-Q453 VanDerWaalsContact O-CB 3.31Å; P449-Q453 WeakPolarHBondContact O-CB 3.24Å; P449-Q453 PolarHBondContact O-N 3.41Å; E450-Q453 PolarHBondContact O-N 2.91Å; Q453-Y455 VanDerWaalsContact C-N 3.28Å; Q453-Y455 PolarHBondContact O-N 3.24Å; Q453-Y456 PolarHBondContact O-N 3.34Å; Q453-E457 HydrophobicContact CG-CG 4.25Å; Q453-E457 VanDerWaalsContact CG-OE1 3.25Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.22Å; Q453-E457 PolarHBondContact NE2-OE1 2.7Å; Q453-E457 WeakPolarHBondContact O-CB 3.35Å; Q453-E457 WeakPolarHBondContact O-CG 3.5Å; Q453-E457 PolarHBondContact O-N 3.31Å
454	W	94.5	Very high	88.9	Confident	32 Å²	32	46.5 Å²	46.5	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-43.4	173.4	-179.8	85.7	0	0	0	111.4	W400 I418 L421 M422 E450 T458 V459	W400-W454 HydrophobicContact CH2-CH2 4.34Å; W400-W454 HydrophobicContact CZ2-CH2 4.17Å; I418-W454 HydrophobicContact CG2-CE3 3.71Å; I418-W454 HydrophobicContact CG2-CZ3 3.86Å; L421-W454 HydrophobicContact CB-CH2 4.05Å; M422-W454 HydrophobicContact CB-CD2 3.81Å; M422-W454 HydrophobicContact CB-CE3 4.04Å; M422-W454 HydrophobicContact CB-CG 4.25Å; M422-W454 HydrophobicContact CB-CH2 4.43Å; M422-W454 HydrophobicContact CB-CZ2 4.22Å; M422-W454 HydrophobicContact CB-CZ3 4.34Å; M422-W454 HydrophobicContact CG-CB 4.24Å; M422-W454 HydrophobicContact CG-CD2 3.74Å; M422-W454 HydrophobicContact CG-CE3 4.38Å; M422-W454 HydrophobicContact CG-CG 3.63Å; M422-W454 HydrophobicContact SD-CB 3.68Å; M422-W454 HydrophobicContact SD-CD2 4.22Å; M422-W454 HydrophobicContact SD-CG 3.76Å; E450-W454 WeakPolarHBondContact O-CB 3.44Å; E450-W454 PolarHBondContact O-N 2.92Å; W454-T458 HydrophobicContact CZ2-CG2 3.94Å; W454-T458 PolarHBondContact NE1-OG1 2.95Å; W454-T458 WeakPolarHBondContact O-CA 3.25Å; W454-T458 WeakPolarHBondContact O-CB 3.49Å; W454-T458 PolarHBondContact O-N 2.91Å; W454-T458 PolarHBondContact O-OG1 2.82Å; W454-V459 HydrophobicContact CE3-CG2 4.37Å; W454-V459 HydrophobicContact CH2-CG2 3.81Å; W454-V459 HydrophobicContact CZ3-CG2 3.71Å
455	Y	96.9	Very high	89.9	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.207	C	C	.	.	I	π-helix	trans	-64.6	-45.7	-179.9	-167.8	-145.1	0	0	0	112.1	F411 I418 L440 G441 A451 W452 Q453 V459 G460 V466	F411-Y455 HydrophobicContact CD1-CE2 4.05Å; F411-Y455 WeakPolarHBondContact CD1-OH 3.49Å; F411-Y455 HydrophobicContact CE1-CE2 4.12Å; F411-Y455 PolarHBondContact O-OH 2.98Å; I418-Y455 HydrophobicContact CD1-CD1 3.53Å; I418-Y455 HydrophobicContact CD1-CD2 4.18Å; I418-Y455 HydrophobicContact CD1-CE1 3.63Å; I418-Y455 HydrophobicContact CD1-CE2 4.29Å; I418-Y455 HydrophobicContact CD1-CG 3.82Å; I418-Y455 HydrophobicContact CG1-CD1 4.44Å; I418-Y455 HydrophobicContact CG1-CD2 4.23Å; I418-Y455 HydrophobicContact CG1-CE2 4.33Å; I418-Y455 HydrophobicContact CG1-CG 4.3Å; I418-Y455 HydrophobicContact CG2-CD2 4.5Å; I418-Y455 HydrophobicContact CG2-CG 4.31Å; L440-Y455 HydrophobicContact CB-CD1 4.22Å; L440-Y455 HydrophobicContact CB-CE1 3.61Å; L440-Y455 HydrophobicContact CB-CE2 4.43Å; L440-Y455 HydrophobicContact CD1-CD1 4.14Å; L440-Y455 HydrophobicContact CD1-CD2 3.91Å; L440-Y455 HydrophobicContact CD1-CE1 4.14Å; L440-Y455 HydrophobicContact CD1-CE2 3.87Å; L440-Y455 HydrophobicContact CD1-CG 4.04Å; L440-Y455 VanDerWaalsContact CD1-O 3.32Å; L440-Y455 WeakPolarHBondContact CD1-O 3.1Å; L440-Y455 HydrophobicContact CD2-CE2 3.98Å; L440-Y455 HydrophobicContact CG-CE1 4.33Å; L440-Y455 HydrophobicContact CG-CE2 4.32Å; G441-Y455 PolarHBondContact O-OH 3.21Å; A451-Y455 WeakPolarHBondContact O-CB 3.14Å; A451-Y455 PolarHBondContact O-N 2.83Å; W452-Y455 WeakPolarHBondContact O-CB 3.21Å; W452-Y455 PolarHBondContact O-N 3.41Å; Q453-Y455 VanDerWaalsContact C-N 3.28Å; Q453-Y455 PolarHBondContact O-N 3.24Å; Y455-V459 HydrophobicContact CD2-CB 3.75Å; Y455-V459 HydrophobicContact CD2-CG1 4.18Å; Y455-V459 HydrophobicContact CD2-CG2 3.78Å; Y455-V459 HydrophobicContact CE2-CB 4.06Å; Y455-V459 HydrophobicContact CE2-CG1 3.96Å; Y455-V459 HydrophobicContact CE2-CG2 4.26Å; Y455-V459 WeakPolarHBondContact O-CB 3.27Å; Y455-V459 PolarHBondContact O-N 3.02Å; Y455-G460 PolarHBondContact O-N 3.08Å; Y455-V466 HydrophobicContact CD1-CG1 3.79Å; Y455-V466 HydrophobicContact CD1-CG2 4.08Å; Y455-V466 HydrophobicContact CE1-CG1 4.17Å
456	Y	97.3	Very high	91.1	Very high	39 Å²	39	42 Å²	42	15%	0.153	20%	0.199	C	C	.	.	I	π-helix	trans	-62.1	-49.4	175.3	173.9	-109	0	0	0	112.6	Y48 W452 Q453 G460 Q461 R462 C464 V466	Y48-Y456 AromaticContact CD1-CD1 3.95Å; Y48-Y456 HydrophobicContact CD1-CD1 3.95Å; Y48-Y456 AromaticContact CD1-CE1 3.53Å; Y48-Y456 HydrophobicContact CD1-CE1 3.53Å; Y48-Y456 AromaticContact CD1-CZ 3.84Å; Y48-Y456 AromaticContact CE1-CD1 3.84Å; Y48-Y456 HydrophobicContact CE1-CD1 3.84Å; Y48-Y456 AromaticContact CE1-CE1 3.6Å; Y48-Y456 HydrophobicContact CE1-CE1 3.6Å; W452-Y456 HydrophobicContact CH2-CD2 4.39Å; W452-Y456 HydrophobicContact CH2-CG 4.15Å; W452-Y456 HydrophobicContact CZ3-CD1 4.28Å; W452-Y456 HydrophobicContact CZ3-CG 4.05Å; W452-Y456 PolarHBondContact O-N 2.91Å; Q453-Y456 PolarHBondContact O-N 3.34Å; Y456-G460 CarbonylContact O-C 3.49Å; Y456-G460 VanDerWaalsContact O-C 3.28Å; Y456-G460 VanDerWaalsContact O-CA 3.28Å; Y456-G460 WeakPolarHBondContact O-CA 3.25Å; Y456-G460 PolarHBondContact O-N 3Å; Y456-Q461 PolarHBondContact O-N 3.35Å; Y456-R462 HydrophobicContact CD1-CG 4.42Å; Y456-R462 HydrophobicContact CE1-CB 3.96Å; Y456-R462 HydrophobicContact CE1-CG 3.96Å; Y456-R462 PolarHBondContact O-N 2.88Å; Y456-R462 PolarHBondContact OH-O 3.09Å; Y456-C464 VanDerWaalsContact CD2-O 3.26Å; Y456-C464 WeakPolarHBondContact CD2-O 3.33Å; Y456-V466 HydrophobicContact CD2-CG2 4.4Å
457	E	95.8	Very high	92.1	Very high	62 Å²	62	38.5 Å²	38.5	29%	0.29	18%	0.176	S	C	.	.	I	π-helix	trans	-79.2	-43.8	-172.5	-66.5	-169.5	-161	0	0	113.4	Q453 Q461 R462	Q453-E457 HydrophobicContact CG-CG 4.25Å; Q453-E457 VanDerWaalsContact CG-OE1 3.25Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.22Å; Q453-E457 PolarHBondContact NE2-OE1 2.7Å; Q453-E457 WeakPolarHBondContact O-CB 3.35Å; Q453-E457 WeakPolarHBondContact O-CG 3.5Å; Q453-E457 PolarHBondContact O-N 3.31Å; E457-Q461 VanDerWaalsContact O-CA 3.25Å; E457-Q461 WeakPolarHBondContact O-CA 3.29Å; E457-Q461 PolarHBondContact O-N 3.5Å; E457-R462 HydrophobicContact CB-CG 4.24Å; E457-R462 HydrophobicContact CG-CG 4.06Å; E457-R462 IonicContact OE1-NH2 3.76Å; E457-R462 IonicContact OE2-CZ 3.14Å; E457-R462 IonicContact OE2-NE 3.57Å; E457-R462 IonicContact OE2-NH2 2.72Å; E457-R462 PolarHBondContact OE2-NH2 3.27Å
458	T	95.4	Very high	93.1	Very high	25 Å²	25	38.8 Å²	38.8	15%	0.153	18%	0.177	C	C	.	.	I	π-helix	trans	-86.3	-52.6	-172.8	-61.6	0	0	0	0	111.4	L426 L429 W454	L426-T458 HydrophobicContact CD2-CG2 3.26Å; L429-T458 HydrophobicContact CD1-CG2 4.02Å; L429-T458 HydrophobicContact CD2-CG2 4.34Å; W454-T458 HydrophobicContact CZ2-CG2 3.94Å; W454-T458 PolarHBondContact NE1-OG1 2.95Å; W454-T458 WeakPolarHBondContact O-CA 3.25Å; W454-T458 WeakPolarHBondContact O-CB 3.49Å; W454-T458 PolarHBondContact O-N 2.91Å; W454-T458 PolarHBondContact O-OG1 2.82Å
459	V	97.3	Very high	94.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-82.5	-48	-176.6	-175.3	0	0	0	0	110	W400 L429 L434 L437 L440 W454 Y455 Q461	W400-V459 HydrophobicContact CE3-CG1 4.45Å; W400-V459 HydrophobicContact CH2-CG1 4.13Å; W400-V459 HydrophobicContact CH2-CG2 3.57Å; W400-V459 HydrophobicContact CZ2-CG2 4.37Å; W400-V459 HydrophobicContact CZ3-CB 4.45Å; W400-V459 HydrophobicContact CZ3-CG1 3.62Å; W400-V459 HydrophobicContact CZ3-CG2 3.94Å; L429-V459 HydrophobicContact CD1-CB 4.48Å; L429-V459 HydrophobicContact CD1-CG2 3.96Å; L434-V459 HydrophobicContact CD1-CG1 4.32Å; L437-V459 HydrophobicContact CD1-CG1 4.06Å; L440-V459 HydrophobicContact CD1-CB 4.34Å; L440-V459 HydrophobicContact CD1-CG1 4.44Å; L440-V459 HydrophobicContact CD2-CG1 4.17Å; W454-V459 HydrophobicContact CE3-CG2 4.37Å; W454-V459 HydrophobicContact CH2-CG2 3.81Å; W454-V459 HydrophobicContact CZ3-CG2 3.71Å; Y455-V459 HydrophobicContact CD2-CB 3.75Å; Y455-V459 HydrophobicContact CD2-CG1 4.18Å; Y455-V459 HydrophobicContact CD2-CG2 3.78Å; Y455-V459 HydrophobicContact CE2-CB 4.06Å; Y455-V459 HydrophobicContact CE2-CG1 3.96Å; Y455-V459 HydrophobicContact CE2-CG2 4.26Å; Y455-V459 WeakPolarHBondContact O-CB 3.27Å; Y455-V459 PolarHBondContact O-N 3.02Å; V459-Q461 PolarHBondContact O-N 3.29Å
460	G	96.8	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-76.7	-8.5	180	0	0	0	0	0	113.9	Y455 Y456 R462 R463 C464	Y455-G460 PolarHBondContact O-N 3.08Å; Y456-G460 CarbonylContact O-C 3.49Å; Y456-G460 VanDerWaalsContact O-C 3.28Å; Y456-G460 VanDerWaalsContact O-CA 3.28Å; Y456-G460 WeakPolarHBondContact O-CA 3.25Å; Y456-G460 PolarHBondContact O-N 3Å; G460-R462 PolarHBondContact O-N 3.19Å; G460-R462 VanDerWaalsContact O-N 3.08Å; G460-R463 PolarHBondContact O-N 2.71Å; G460-C464 PolarHBondContact O-N 3.32Å; G460-C464 PolarHBondContact O-SG 2.73Å
461	Q	95.6	Very high	95.7	Very high	81 Å²	81	29.4 Å²	29.4	38%	0.379	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.5	-177.3	-60.8	174.8	-14.2	0	0	112.6	Y456 E457 V459 R463	Y456-Q461 PolarHBondContact O-N 3.35Å; E457-Q461 VanDerWaalsContact O-CA 3.25Å; E457-Q461 WeakPolarHBondContact O-CA 3.29Å; E457-Q461 PolarHBondContact O-N 3.5Å; V459-Q461 PolarHBondContact O-N 3.29Å; Q461-R463 PolarHBondContact O-N 3.25Å; Q461-R463 VanDerWaalsContact O-N 3.12Å
462	R	95.5	Very high	96.4	Very high	152 Å²	152	30.4 Å²	30.4	57%	0.574	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	12.2	-174	-53.3	179.3	176.4	-176.1	-5.3	115.1	Y456 E457 G460	Y456-R462 HydrophobicContact CD1-CG 4.42Å; Y456-R462 HydrophobicContact CE1-CB 3.96Å; Y456-R462 HydrophobicContact CE1-CG 3.96Å; Y456-R462 PolarHBondContact O-N 2.88Å; Y456-R462 PolarHBondContact OH-O 3.09Å; E457-R462 HydrophobicContact CB-CG 4.24Å; E457-R462 HydrophobicContact CG-CG 4.06Å; E457-R462 IonicContact OE1-NH2 3.76Å; E457-R462 IonicContact OE2-CZ 3.14Å; E457-R462 IonicContact OE2-NE 3.57Å; E457-R462 IonicContact OE2-NH2 2.72Å; E457-R462 PolarHBondContact OE2-NH2 3.27Å; G460-R462 PolarHBondContact O-N 3.19Å; G460-R462 VanDerWaalsContact O-N 3.08Å
463	R	94.8	Very high	96.4	Very high	96 Å²	96	31.4 Å²	31.4	36%	0.362	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-29.6	178.2	-62.8	-178.4	-64.8	97.6	1.8	112.8	L434 S435 L437 G460 Q461	L434-R463 PolarHBondContact O-NH2 2.96Å; S435-R463 PolarHBondContact O-NH1 3.11Å; L437-R463 PolarHBondContact O-NH1 2.73Å; G460-R463 PolarHBondContact O-N 2.71Å; Q461-R463 PolarHBondContact O-N 3.25Å; Q461-R463 VanDerWaalsContact O-N 3.12Å
464	C	97.3	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-99.1	119.1	-170.7	-53.3	0	0	0	0	111.1	L437 R438 L440 Y456 G460	L437-C464 PolarHBondContact O-SG 2.98Å; R438-C464 WeakPolarHBondContact O-CA 3.45Å; L440-C464 HydrophobicContact CD1-CB 4.16Å; L440-C464 HydrophobicContact CG-CB 3.75Å; Y456-C464 VanDerWaalsContact CD2-O 3.26Å; Y456-C464 WeakPolarHBondContact CD2-O 3.33Å; G460-C464 PolarHBondContact O-N 3.32Å; G460-C464 PolarHBondContact O-SG 2.73Å
465	P	97.2	Very high	96.8	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.032	12%	0.121	C	C	.	.			trans	-58.1	143.9	167	24.2	-34.7	0	0	0	110.9	L54 R438 I439 L440 P484 L489	L54-P465 HydrophobicContact CD2-CG 3.89Å; R438-P465 WeakPolarHBondContact O-CD 3.21Å; I439-P465 HydrophobicContact CG1-CG 4.22Å; L440-P465 PolarHBondContact N-O 3Å; L440-P465 VanDerWaalsContact O-O 3.12Å; P465-P484 HydrophobicContact CB-CB 4.29Å; P465-P484 HydrophobicContact CG-CB 3.73Å; P465-L489 HydrophobicContact CB-CD1 3.81Å
466	V	98.3	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.2	176.7	-179.5	0	0	0	0	109.1	L440 T442 W452 Y455 Y456 D468	L440-V466 HydrophobicContact CB-CG2 4.08Å; L440-V466 HydrophobicContact CD1-CG2 4.13Å; L440-V466 CarbonylContact O-C 3.53Å; L440-V466 VanDerWaalsContact O-CA 3.27Å; L440-V466 WeakPolarHBondContact O-CA 3.28Å; T442-V466 HydrophobicContact CG2-CG1 4.35Å; W452-V466 HydrophobicContact CZ2-CB 3.85Å; W452-V466 HydrophobicContact CZ2-CG2 4.27Å; Y455-V466 HydrophobicContact CD1-CG1 3.79Å; Y455-V466 HydrophobicContact CD1-CG2 4.08Å; Y455-V466 HydrophobicContact CE1-CG1 4.17Å; Y456-V466 HydrophobicContact CD2-CG2 4.4Å; V466-D468 PolarHBondContact O-N 2.86Å
467	V	98.4	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	104.7	177.5	-56.8	0	0	0	0	110.9	V349 F350 I439 L440 G441 T442 T469 P482 P484	V349-V467 HydrophobicContact CG1-CB 4.27Å; V349-V467 HydrophobicContact CG1-CG2 3.99Å; F350-V467 HydrophobicContact CD1-CG2 4.4Å; F350-V467 HydrophobicContact CE1-CG2 4.11Å; I439-V467 HydrophobicContact CG2-CG1 4.23Å; I439-V467 HydrophobicContact CG2-CG2 4.2Å; L440-V467 WeakPolarHBondContact O-CG2 3.38Å; L440-V467 PolarHBondContact O-N 3.12Å; G441-V467 CarbonylContact C-O 3.56Å; G441-V467 WeakPolarHBondContact CA-O 3.32Å; T442-V467 PolarHBondContact N-O 3.1Å; V467-T469 HydrophobicContact CG2-CG2 4.29Å; V467-T469 PolarHBondContact O-N 3.45Å; V467-P482 HydrophobicContact CB-CG 3.87Å; V467-P482 HydrophobicContact CG1-CG 4Å; V467-P484 HydrophobicContact CG1-CB 3.96Å
468	D	97.6	Very high	97.1	Very high	12 Å²	12	23 Å²	23	6%	0.064	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	110.3	173.4	-173.3	7	0	0	0	110.1	T442 V466 P482	T442-D468 HydrophobicContact CG2-CB 3.89Å; V466-D468 PolarHBondContact O-N 2.86Å; D468-P482 VanDerWaalsContact O-CD 3.27Å; D468-P482 WeakPolarHBondContact O-CD 3.35Å
469	T	98.3	Very high	97.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.3	-170.5	60.7	0	0	0	0	110.3	V349 Y412 T442 V467	V349-T469 HydrophobicContact CG1-CG2 3.9Å; Y412-T469 HydrophobicContact CE2-CG2 4.2Å; Y412-T469 WeakPolarHBondContact CE2-OG1 3.27Å; Y412-T469 PolarHBondContact OH-OG1 2.69Å; T442-T469 PolarHBondContact O-N 2.91Å; T442-T469 PolarHBondContact O-OG1 3.06Å; V467-T469 HydrophobicContact CG2-CG2 4.29Å; V467-T469 PolarHBondContact O-N 3.45Å
470	F	97.6	Very high	97.3	Very high	24 Å²	24	21.8 Å²	21.8	11%	0.105	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-92.1	128.1	170.9	172.2	-97.8	0	0	0	111.3	Q472 V479 L480 A494 L521 D557 I569	F470-Q472 HydrophobicContact CZ-CG 4.49Å; F470-V479 HydrophobicContact CD1-CG2 3.83Å; F470-V479 HydrophobicContact CE1-CG2 4.06Å; F470-V479 WeakPolarHBondContact O-CG2 3.37Å; F470-V479 PolarHBondContact O-N 3.37Å; F470-V479 VanDerWaalsContact O-N 3.13Å; F470-L480 HydrophobicContact CB-CB 4.23Å; F470-L480 HydrophobicContact CD1-CB 4.18Å; F470-L480 HydrophobicContact CD1-CD1 3.79Å; F470-L480 HydrophobicContact CD1-CG 4.09Å; F470-L480 HydrophobicContact CE1-CD1 4.31Å; F470-L480 PolarHBondContact N-O 2.77Å; F470-L480 PolarHBondContact O-N 2.9Å; F470-A494 HydrophobicContact CB-CB 3.8Å; F470-L521 HydrophobicContact CD1-CD2 4.29Å; F470-L521 HydrophobicContact CE1-CD2 3.48Å; F470-L521 VanDerWaalsContact CE1-CD2 3.48Å; F470-L521 HydrophobicContact CZ-CD2 3.92Å; F470-D557 HydrophobicContact CE2-CB 4.35Å; F470-D557 HydrophobicContact CZ-CB 4.06Å; F470-I569 HydrophobicContact CB-CD1 4.41Å; F470-I569 HydrophobicContact CB-CG1 3.96Å; F470-I569 HydrophobicContact CD1-CD1 3.83Å; F470-I569 HydrophobicContact CD1-CG1 4.23Å; F470-I569 HydrophobicContact CD2-CB 4.26Å; F470-I569 HydrophobicContact CD2-CD1 3.93Å; F470-I569 HydrophobicContact CD2-CG1 3.56Å; F470-I569 HydrophobicContact CD2-CG2 3.93Å; F470-I569 HydrophobicContact CE1-CD1 4.02Å; F470-I569 HydrophobicContact CE2-CD1 4.1Å; F470-I569 HydrophobicContact CE2-CG1 4.07Å; F470-I569 HydrophobicContact CE2-CG2 3.75Å; F470-I569 HydrophobicContact CG-CD1 3.77Å; F470-I569 HydrophobicContact CG-CG1 3.62Å; F470-I569 HydrophobicContact CZ-CD1 4.14Å
471	W	97.6	Very high	97.4	Very high	22 Å²	22	21.9 Å²	21.9	8%	0.083	9%	0.093	C	C	.	.			trans	-174.1	176.3	178.1	61.5	-59	0	0	0	111	I367 T368 Y372 Y412 V443 T475 G476 G477 H478 V479	I367-W471 HydrophobicContact CB-CH2 4.32Å; I367-W471 HydrophobicContact CB-CZ3 4.29Å; I367-W471 HydrophobicContact CG1-CH2 3.98Å; I367-W471 HydrophobicContact CG1-CZ3 3.58Å; I367-W471 HydrophobicContact CG2-CE3 4.49Å; I367-W471 HydrophobicContact CG2-CH2 3.76Å; I367-W471 HydrophobicContact CG2-CZ2 4.39Å; I367-W471 HydrophobicContact CG2-CZ3 3.83Å; T368-W471 HydrophobicContact CG2-CZ2 4.14Å; Y372-W471 AromaticContact CD2-CH2 3.5Å; Y372-W471 HydrophobicContact CD2-CH2 3.5Å; Y372-W471 AromaticContact CD2-CZ2 3.41Å; Y372-W471 HydrophobicContact CD2-CZ2 3.41Å; Y372-W471 VanDerWaalsContact CD2-CZ2 3.41Å; Y372-W471 HydrophobicContact CD2-CZ3 4.41Å; Y372-W471 HydrophobicContact CE2-CD2 4.23Å; Y372-W471 AromaticContact CE2-CE2 3.7Å; Y372-W471 HydrophobicContact CE2-CE3 4.25Å; Y372-W471 AromaticContact CE2-CH2 3.27Å; Y372-W471 HydrophobicContact CE2-CH2 3.27Å; Y372-W471 AromaticContact CE2-CZ2 3.24Å; Y372-W471 HydrophobicContact CE2-CZ2 3.24Å; Y372-W471 AromaticContact CE2-CZ3 3.79Å; Y372-W471 HydrophobicContact CE2-CZ3 3.79Å; Y412-W471 PolarHBondContact OH-NE1 3.37Å; V443-W471 HydrophobicContact CG2-CZ2 4.21Å; W471-T475 WeakPolarHBondContact CB-OG1 3.22Å; W471-G476 WeakPolarHBondContact CZ3-O 3.47Å; W471-G477 WeakPolarHBondContact CB-O 3.3Å; W471-H478 AromaticContact CD1-CD2 3.53Å; W471-H478 AromaticContact CE2-CD2 3.82Å; W471-H478 AromaticContact CG-CD2 3.9Å; W471-H478 AromaticContact NE1-CD2 3.43Å; W471-H478 PolarHBondContact NE1-CD2 3.09Å; W471-H478 AromaticContact NE1-NE2 3.75Å; W471-V479 HydrophobicContact CB-CG2 4.17Å
472	Q	95.4	Very high	97.5	Very high	21 Å²	21	18.1 Å²	18.1	10%	0.098	8%	0.076	C	C	.	.			trans	-138.3	165.4	-175.4	-44.9	175.6	-64.5	0	0	110.9	F470 E474 T475 Y553 T555 D557	F470-Q472 HydrophobicContact CZ-CG 4.49Å; Q472-E474 PolarHBondContact O-N 3.29Å; Q472-T475 HydrophobicContact CB-CG2 4.01Å; Q472-T475 HydrophobicContact CG-CG2 4.2Å; Q472-T475 PolarHBondContact N-OG1 3.06Å; Q472-T475 PolarHBondContact O-N 2.8Å; Q472-T475 PolarHBondContact O-OG1 2.96Å; Q472-Y553 PolarHBondContact OE1-OH 2.96Å; Q472-T555 PolarHBondContact NE2-O 3.17Å; Q472-D557 PolarHBondContact NE2-OD2 3.37Å
473	T	93.4	Very high	97.6	Very high	23 Å²	23	11 Å²	11	14%	0.141	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-53	-41.2	172.3	-59	0	0	0	0	111.8	L319 T321 V331 H333 I367 T475 G476	L319-T473 HydrophobicContact CB-CG2 4.29Å; L319-T473 HydrophobicContact CD2-CG2 3.89Å; L319-T473 HydrophobicContact CG-CG2 4.29Å; T321-T473 HydrophobicContact CG2-CG2 3.53Å; V331-T473 HydrophobicContact CB-CG2 4.02Å; V331-T473 HydrophobicContact CG1-CG2 4.12Å; V331-T473 HydrophobicContact CG2-CG2 4.09Å; H333-T473 PolarHBondContact NE2-O 2.98Å; I367-T473 HydrophobicContact CB-CG2 4.18Å; I367-T473 HydrophobicContact CD1-CG2 4.36Å; I367-T473 HydrophobicContact CG1-CG2 4.46Å; T473-T475 PolarHBondContact O-N 3.05Å; T473-G476 PolarHBondContact O-N 3.34Å
474	E	98.1	Very high	97.7	Very high	18 Å²	18	6.6 Å²	6.6	8%	0.084	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-68.2	-20.3	179.8	-65.1	93.3	154.9	0	0	113.9	K329 V331 Q472 M531 Y545 Y553	K329-E474 IonicContact NZ-OE1 3.75Å; K329-E474 PolarHBondContact NZ-OE1 2.95Å; V331-E474 HydrophobicContact CG1-CG 4.39Å; V331-E474 HydrophobicContact CG2-CG 4.11Å; Q472-E474 PolarHBondContact O-N 3.29Å; E474-M531 HydrophobicContact CB-CE 3.71Å; E474-M531 HydrophobicContact CB-CG 4Å; E474-M531 HydrophobicContact CB-SD 3.61Å; E474-M531 HydrophobicContact CG-CE 3.62Å; E474-M531 HydrophobicContact CG-CG 4.39Å; E474-M531 HydrophobicContact CG-SD 3.37Å; E474-M531 WeakPolarHBondContact CG-SD 3.39Å; E474-M531 WeakPolarHBondContact O-CB 3.47Å; E474-M531 WeakPolarHBondContact O-CG 3.46Å; E474-M531 PolarHBondContact O-N 3.14Å; E474-Y545 HydrophobicContact CG-CE1 3.79Å; E474-Y545 WeakPolarHBondContact CG-OH 3.21Å; E474-Y545 PolarHBondContact OE1-OH 3.46Å; E474-Y553 WeakPolarHBondContact CB-OH 3.38Å
475	T	98.6	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-91.4	-14.2	-177.6	64.2	0	0	0	0	114.1	W471 Q472 T473 G477 V479 F523 W527 G529	W471-T475 WeakPolarHBondContact CB-OG1 3.22Å; Q472-T475 HydrophobicContact CB-CG2 4.01Å; Q472-T475 HydrophobicContact CG-CG2 4.2Å; Q472-T475 PolarHBondContact N-OG1 3.06Å; Q472-T475 PolarHBondContact O-N 2.8Å; Q472-T475 PolarHBondContact O-OG1 2.96Å; T473-T475 PolarHBondContact O-N 3.05Å; T475-G477 PolarHBondContact O-N 3.28Å; T475-G477 PolarHBondContact OG1-O 3.02Å; T475-V479 HydrophobicContact CG2-CG1 4.01Å; T475-V479 HydrophobicContact CG2-CG2 4.44Å; T475-F523 HydrophobicContact CG2-CE2 4.49Å; T475-W527 HydrophobicContact CG2-CH2 4.3Å; T475-W527 HydrophobicContact CG2-CZ2 3.76Å; T475-W527 PolarHBondContact O-NE1 2.97Å; T475-G529 CarbonylContact C-O 3.51Å; T475-G529 CarbonylContact O-C 3.58Å; T475-G529 VanDerWaalsContact O-O 3.06Å
476	G	98.5	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.			trans	72	-34.8	179.1	0	0	0	0	0	115.6	H333 S371 W471 T473 G529	H333-G476 VanDerWaalsContact CE1-CA 3.41Å; H333-G476 WeakPolarHBondContact CE1-CA 3.37Å; S371-G476 PolarHBondContact OG-O 3.24Å; W471-G476 WeakPolarHBondContact CZ3-O 3.47Å; T473-G476 PolarHBondContact O-N 3.34Å; G476-G529 WeakPolarHBondContact CA-O 3.47Å
477	G	98.6	Very high	97.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-152.6	-172.2	177	0	0	0	0	0	112.6	Y372 W471 T475	Y372-G477 WeakPolarHBondContact OH-CA 3.3Å; W471-G477 WeakPolarHBondContact CB-O 3.3Å; T475-G477 PolarHBondContact O-N 3.28Å; T475-G477 PolarHBondContact OG1-O 3.02Å
478	H	98.8	Very high	97.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.			trans	-61.7	135.3	-175.2	-58.6	148.8	0	0	0	110.9	Y341 T345 V349 F350 Y372 Y412 W471 T481	Y341-H478 WeakPolarHBondContact CE1-O 3.26Å; Y341-H478 PolarHBondContact OH-O 2.94Å; T345-H478 HydrophobicContact CG2-CB 4.2Å; V349-H478 HydrophobicContact CG2-CB 4.48Å; F350-H478 AromaticContact CE2-CE1 3.81Å; Y372-H478 AromaticContact CD2-NE2 3.73Å; Y372-H478 AromaticContact CE1-CE1 3.66Å; Y372-H478 AromaticContact CE1-NE2 3.96Å; Y372-H478 AromaticContact CE2-CD2 3.5Å; Y372-H478 VanDerWaalsContact CE2-CD2 3.5Å; Y372-H478 WeakPolarHBondContact CE2-CD2 3.26Å; Y372-H478 AromaticContact CE2-CE1 3.66Å; Y372-H478 AromaticContact CE2-NE2 3.08Å; Y372-H478 WeakPolarHBondContact CE2-NE2 3.34Å; Y372-H478 AromaticContact CZ-CD2 3.53Å; Y372-H478 AromaticContact CZ-CE1 3.33Å; Y372-H478 AromaticContact CZ-CG 3.79Å; Y372-H478 AromaticContact CZ-ND1 3.66Å; Y372-H478 AromaticContact CZ-NE2 3.22Å; Y372-H478 PolarHBondContact OH-CD2 3.37Å; Y372-H478 PolarHBondContact OH-CE1 2.84Å; Y372-H478 PolarHBondContact OH-N 3.17Å; Y372-H478 PolarHBondContact OH-ND1 2.91Å; Y372-H478 PolarHBondContact OH-NE2 3.03Å; Y412-H478 AromaticContact CZ-NE2 3.87Å; Y412-H478 PolarHBondContact OH-NE2 2.81Å; W471-H478 AromaticContact CD1-CD2 3.53Å; W471-H478 AromaticContact CE2-CD2 3.82Å; W471-H478 AromaticContact CG-CD2 3.9Å; W471-H478 AromaticContact NE1-CD2 3.43Å; W471-H478 PolarHBondContact NE1-CD2 3.09Å; W471-H478 AromaticContact NE1-NE2 3.75Å; H478-T481 HydrophobicContact CB-CG2 3.85Å
479	V	98.6	Very high	97.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-120.4	-35.1	-179.8	-66.1	0	0	0	0	113.4	F470 W471 T475 P497 F498 V501 F523 W527	F470-V479 HydrophobicContact CD1-CG2 3.83Å; F470-V479 HydrophobicContact CE1-CG2 4.06Å; F470-V479 WeakPolarHBondContact O-CG2 3.37Å; F470-V479 PolarHBondContact O-N 3.37Å; F470-V479 VanDerWaalsContact O-N 3.13Å; W471-V479 HydrophobicContact CB-CG2 4.17Å; T475-V479 HydrophobicContact CG2-CG1 4.01Å; T475-V479 HydrophobicContact CG2-CG2 4.44Å; V479-P497 WeakPolarHBondContact O-CA 3.36Å; V479-F498 PolarHBondContact O-N 2.97Å; V479-V501 HydrophobicContact CB-CG1 4.08Å; V479-V501 HydrophobicContact CB-CG2 4.16Å; V479-V501 HydrophobicContact CG1-CG2 4.08Å; V479-F523 HydrophobicContact CB-CZ 3.98Å; V479-F523 HydrophobicContact CG2-CE2 4.28Å; V479-F523 HydrophobicContact CG2-CZ 3.71Å; V479-W527 HydrophobicContact CG1-CH2 4.49Å; V479-W527 HydrophobicContact CG1-CZ2 3.85Å
480	L	98.7	Very high	97.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	B	Isolated β-bridge	trans	-126.6	120.1	167.7	-57.1	172.1	0	0	0	107.3	F470 A494 F496 P497 P503 L521 F567 I569	F470-L480 HydrophobicContact CB-CB 4.23Å; F470-L480 HydrophobicContact CD1-CB 4.18Å; F470-L480 HydrophobicContact CD1-CD1 3.79Å; F470-L480 HydrophobicContact CD1-CG 4.09Å; F470-L480 HydrophobicContact CE1-CD1 4.31Å; F470-L480 PolarHBondContact N-O 2.77Å; F470-L480 PolarHBondContact O-N 2.9Å; L480-A494 CarbonylContact C-O 3.49Å; L480-A494 HydrophobicContact CB-CB 3.91Å; L480-F496 WeakPolarHBondContact CA-O 3.34Å; L480-P497 HydrophobicContact CD2-CB 3.87Å; L480-P503 HydrophobicContact CD2-CB 4.15Å; L480-P503 HydrophobicContact CD2-CG 3.96Å; L480-L521 HydrophobicContact CD1-CD1 4.43Å; L480-L521 HydrophobicContact CD1-CD2 3.88Å; L480-F567 HydrophobicContact CD1-CB 3.91Å; L480-F567 HydrophobicContact CD1-CD1 4.29Å; L480-F567 HydrophobicContact CD1-CG 4.14Å; L480-F567 HydrophobicContact CD2-CD2 4.38Å; L480-F567 HydrophobicContact CD2-CG 4.39Å; L480-I569 HydrophobicContact CD1-CD1 3.88Å
481	T	98.6	Very high	97.1	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.012	4%	0.039	C	C	.	.			trans	-166.1	145.9	-175.8	179.1	0	0	0	0	110.6	V349 H478 A494 T495 F496 F498	V349-T481 HydrophobicContact CG1-CG2 4.39Å; V349-T481 WeakPolarHBondContact CG1-OG1 3.31Å; V349-T481 HydrophobicContact CG2-CG2 3.58Å; H478-T481 HydrophobicContact CB-CG2 3.85Å; T481-A494 CarbonylContact C-O 3.42Å; T481-A494 WeakPolarHBondContact CA-O 3.42Å; T481-A494 PolarHBondContact N-O 2.99Å; T481-T495 VanDerWaalsContact C-OG1 3.27Å; T481-F496 PolarHBondContact N-O 2.7Å; T481-F498 HydrophobicContact CG2-CB 4.37Å; T481-F498 HydrophobicContact CG2-CD2 4.03Å
482	P	98.1	Very high	96.4	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	4%	0.042	C	C	.	.			trans	-69.7	155.9	167.3	30	-35.5	0	0	0	110.7	V467 D468 T487 L489 T495	V467-P482 HydrophobicContact CB-CG 3.87Å; V467-P482 HydrophobicContact CG1-CG 4Å; D468-P482 VanDerWaalsContact O-CD 3.27Å; D468-P482 WeakPolarHBondContact O-CD 3.35Å; P482-T487 HydrophobicContact CB-CG2 3.66Å; P482-L489 HydrophobicContact CB-CD2 3.37Å; P482-L489 HydrophobicContact CG-CD2 3.75Å; P482-T495 WeakPolarHBondContact CA-OG1 3.32Å; P482-T495 HydrophobicContact CB-CG2 3.98Å; P482-T495 WeakPolarHBondContact CB-OG1 3.17Å; P482-T495 WeakPolarHBondContact CD-OG1 3.25Å; P482-T495 HydrophobicContact CG-CG2 4.34Å
483	L	98.3	Very high	96.4	Very high	3 Å²	3	6 Å²	6	2%	0.016	4%	0.038	C	C	.	.			trans	-104.2	125.7	163.9	-58.7	-175	0	0	0	108	V60 Y66 C348 V349 A485 A486 T487 F498 F499	V60-L483 HydrophobicContact CB-CD1 3.92Å; V60-L483 HydrophobicContact CG1-CD1 3.87Å; V60-L483 HydrophobicContact CG2-CD1 3.83Å; Y66-L483 HydrophobicContact CD2-CD1 3.72Å; Y66-L483 HydrophobicContact CD2-CG 4.42Å; Y66-L483 HydrophobicContact CG-CD1 4.48Å; C348-L483 HydrophobicContact CB-CD2 4.14Å; V349-L483 HydrophobicContact CG2-CD2 3.97Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 2.87Å; L483-A485 VanDerWaalsContact O-N 3.14Å; L483-A486 HydrophobicContact CB-CB 4.15Å; L483-A486 PolarHBondContact O-N 2.87Å; L483-T487 PolarHBondContact N-OG1 3.29Å; L483-T487 WeakPolarHBondContact O-CB 3.5Å; L483-T487 PolarHBondContact O-N 3.18Å; L483-T487 PolarHBondContact O-OG1 3.43Å; L483-F498 HydrophobicContact CD2-CD2 4.2Å; L483-F498 HydrophobicContact CD2-CE2 3.96Å; L483-F499 HydrophobicContact CD1-CE1 4.48Å; L483-F499 HydrophobicContact CD1-CE2 4.41Å; L483-F499 HydrophobicContact CD1-CZ 3.81Å
484	P	96.8	Very high	96.5	Very high	3 Å²	3	5 Å²	5	2%	0.019	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.2	-155.3	27.4	-37.8	0	0	0	114.1	P50 L54 V349 D351 I439 P465 V467	P50-P484 WeakPolarHBondContact CB-O 3.39Å; L54-P484 HydrophobicContact CD2-CB 3.87Å; L54-P484 HydrophobicContact CD2-CG 4.37Å; V349-P484 WeakPolarHBondContact O-CD 3.43Å; D351-P484 HydrophobicContact CB-CG 3.73Å; I439-P484 HydrophobicContact CD1-CB 3.78Å; I439-P484 HydrophobicContact CD1-CG 3.52Å; I439-P484 HydrophobicContact CG1-CB 4.01Å; I439-P484 HydrophobicContact CG1-CG 4.31Å; I439-P484 HydrophobicContact CG2-CB 4.5Å; P465-P484 HydrophobicContact CB-CB 4.29Å; P465-P484 HydrophobicContact CG-CB 3.73Å; V467-P484 HydrophobicContact CG1-CB 3.96Å
485	A	96	Very high	96.5	Very high	2 Å²	2	4.2 Å²	4.2	2%	0.017	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.6	174.7	0	0	0	0	0	113.9	P50 L54 Q55 A58 V60 L483	P50-A485 VanDerWaalsContact CB-O 3.26Å; P50-A485 WeakPolarHBondContact CB-O 3.39Å; P50-A485 VanDerWaalsContact CG-O 3.28Å; P50-A485 WeakPolarHBondContact CG-O 3.42Å; L54-A485 HydrophobicContact CD2-CB 4.24Å; L54-A485 HydrophobicContact CG-CB 4.09Å; Q55-A485 HydrophobicContact CG-CB 4.49Å; A58-A485 HydrophobicContact CB-CB 3.43Å; A58-A485 VanDerWaalsContact CB-CB 3.43Å; V60-A485 WeakPolarHBondContact O-CB 3.48Å; L483-A485 VanDerWaalsContact C-N 3.3Å; L483-A485 PolarHBondContact O-N 2.87Å; L483-A485 VanDerWaalsContact O-N 3.14Å
486	A	96.7	Very high	96.5	Very high	5 Å²	5	5.3 Å²	5.3	4%	0.041	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-34.4	-168.4	0	0	0	0	0	114	V60 D62 F63 L483 P488	V60-A486 HydrophobicContact CG1-CB 4.01Å; D62-A486 VanDerWaalsContact O-CB 3.26Å; D62-A486 WeakPolarHBondContact O-CB 3.29Å; F63-A486 WeakPolarHBondContact CB-O 3.43Å; F63-A486 PolarHBondContact N-O 2.95Å; L483-A486 HydrophobicContact CB-CB 4.15Å; L483-A486 PolarHBondContact O-N 2.87Å; A486-P488 WeakPolarHBondContact O-CD 3.44Å
487	T	96.8	Very high	96.5	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	4%	0.035	C	C	.	.	P	Polyproline II helix	trans	-100	118.3	-166.9	-54.3	0	0	0	0	111.2	P482 L483 L489 T495 F496	P482-T487 HydrophobicContact CB-CG2 3.66Å; L483-T487 PolarHBondContact N-OG1 3.29Å; L483-T487 WeakPolarHBondContact O-CB 3.5Å; L483-T487 PolarHBondContact O-N 3.18Å; L483-T487 PolarHBondContact O-OG1 3.43Å; T487-L489 HydrophobicContact CG2-CD2 4.48Å; T487-L489 WeakPolarHBondContact O-CD2 3.4Å; T487-T495 HydrophobicContact CG2-CG2 3.95Å; T487-F496 HydrophobicContact CG2-CD2 3.66Å; T487-F496 HydrophobicContact CG2-CE2 3.85Å
488	P	96.1	Very high	96.5	Very high	23 Å²	23	5.8 Å²	5.8	15%	0.149	4%	0.036	C	C	.	.	P	Polyproline II helix	trans	-59.9	138.6	163.9	-18.6	31.8	0	0	0	110	L47 A486 Y566	L47-P488 HydrophobicContact CD2-CB 4.39Å; A486-P488 WeakPolarHBondContact O-CD 3.44Å; P488-Y566 VanDerWaalsContact O-CE1 3.24Å; P488-Y566 WeakPolarHBondContact O-CE1 3.47Å; P488-Y566 PolarHBondContact O-OH 3.21Å
489	L	96.8	Very high	96.5	Very high	5 Å²	5	5.8 Å²	5.8	3%	0.026	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-103	141.4	-171.8	-47.7	174.3	0	0	0	111	Y48 W452 P465 P482 T487	Y48-L489 PolarHBondContact N-O 3.07Å; Y48-L489 PolarHBondContact O-N 2.98Å; W452-L489 HydrophobicContact CH2-CB 4.44Å; W452-L489 HydrophobicContact CZ2-CB 3.95Å; W452-L489 HydrophobicContact CZ2-CD1 3.96Å; P465-L489 HydrophobicContact CB-CD1 3.81Å; P482-L489 HydrophobicContact CB-CD2 3.37Å; P482-L489 HydrophobicContact CG-CD2 3.75Å; T487-L489 HydrophobicContact CG2-CD2 4.48Å; T487-L489 WeakPolarHBondContact O-CD2 3.4Å
490	K	95.9	Very high	96.5	Very high	21 Å²	21	6.1 Å²	6.1	9%	0.091	4%	0.039	C	C	.	.			trans	-115.7	122.5	167.8	-65.3	-175.4	-174.1	-174.6	0	108.4	L47 G492 S493 D562 D564 Y566 W568	L47-K490 HydrophobicContact CD2-CD 4.37Å; L47-K490 HydrophobicContact CD2-CG 3.76Å; K490-G492 PolarHBondContact O-N 2.79Å; K490-G492 VanDerWaalsContact O-N 3.14Å; K490-S493 WeakPolarHBondContact O-CB 3.43Å; K490-S493 PolarHBondContact O-N 2.94Å; K490-D562 IonicContact NZ-OD1 3.85Å; K490-D562 IonicContact NZ-OD2 3.31Å; K490-D562 PolarHBondContact NZ-OD2 2.8Å; K490-D564 IonicContact NZ-OD2 2.98Å; K490-D564 PolarHBondContact NZ-OD2 2.85Å; K490-Y566 HydrophobicContact CB-CD1 4.27Å; K490-Y566 HydrophobicContact CB-CE1 4.46Å; K490-Y566 HydrophobicContact CD-CD1 3.79Å; K490-Y566 HydrophobicContact CD-CD2 4.18Å; K490-Y566 HydrophobicContact CD-CE1 4.12Å; K490-Y566 HydrophobicContact CD-CE2 4.45Å; K490-Y566 HydrophobicContact CD-CG 3.86Å; K490-Y566 HydrophobicContact CG-CD1 3.94Å; K490-Y566 HydrophobicContact CG-CE1 3.9Å; K490-Y566 HydrophobicContact CG-CG 4.5Å; K490-W568 HydrophobicContact CB-CH2 4.1Å; K490-W568 HydrophobicContact CB-CZ2 3.94Å; K490-W568 HydrophobicContact CD-CZ2 4.06Å
491	P	93.1	Very high	96.5	Very high	3 Å²	3	6.1 Å²	6.1	2%	0.019	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	118.9	-177.7	-26.4	33.4	0	0	0	112.6	Y48 P449 W452 W568	Y48-P491 HydrophobicContact CD2-CG 4.12Å; Y48-P491 HydrophobicContact CE2-CG 3.73Å; P449-P491 HydrophobicContact CB-CB 4.13Å; W452-P491 HydrophobicContact CB-CB 4.28Å; W452-P491 HydrophobicContact CD2-CB 3.76Å; W452-P491 HydrophobicContact CD2-CG 4.11Å; W452-P491 HydrophobicContact CE3-CB 3.6Å; W452-P491 HydrophobicContact CE3-CG 3.56Å; W452-P491 HydrophobicContact CG-CB 4.05Å; W452-P491 HydrophobicContact CH2-CG 4.33Å; W452-P491 HydrophobicContact CZ3-CB 4.26Å; W452-P491 HydrophobicContact CZ3-CG 3.7Å; P491-W568 WeakPolarHBondContact O-CH2 3.26Å; P491-W568 WeakPolarHBondContact O-CZ3 3.46Å
492	G	82.9	Confident	96.5	Very high	14 Å²	14	8 Å²	8	14%	0.144	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	3.5	-179.3	0	0	0	0	0	116	I447 K490 W568	I447-G492 WeakPolarHBondContact O-CA 3.33Å; K490-G492 PolarHBondContact O-N 2.79Å; K490-G492 VanDerWaalsContact O-N 3.14Å; G492-W568 VanDerWaalsContact C-CZ3 3.46Å
493	S	94.9	Very high	96.4	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.021	5%	0.052	C	C	.	.			trans	-97.9	136.3	171.2	179	0	0	0	0	111.3	K490 T495 F567	K490-S493 WeakPolarHBondContact O-CB 3.43Å; K490-S493 PolarHBondContact O-N 2.94Å; S493-T495 PolarHBondContact O-N 2.99Å; S493-T495 WeakPolarHBondContact OG-CA 3.22Å; S493-T495 PolarHBondContact OG-N 3Å; S493-F567 PolarHBondContact OG-O 3.35Å
494	A	96.3	Very high	96.4	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.017	5%	0.052	C	C	.	.			trans	-75.3	-3.1	167.9	0	0	0	0	0	112.5	F470 L480 T481 F496 F567 I569	F470-A494 HydrophobicContact CB-CB 3.8Å; L480-A494 CarbonylContact C-O 3.49Å; L480-A494 HydrophobicContact CB-CB 3.91Å; T481-A494 CarbonylContact C-O 3.42Å; T481-A494 WeakPolarHBondContact CA-O 3.42Å; T481-A494 PolarHBondContact N-O 2.99Å; A494-F496 PolarHBondContact O-N 3.45Å; A494-F567 PolarHBondContact N-O 3.4Å; A494-F567 VanDerWaalsContact N-O 3.1Å; A494-I569 HydrophobicContact CB-CG1 4.45Å
495	T	98	Very high	96.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	65.4	-111.6	176.4	73.9	0	0	0	0	113.7	T481 P482 T487 S493 Y566 F567	T481-T495 VanDerWaalsContact C-OG1 3.27Å; P482-T495 WeakPolarHBondContact CA-OG1 3.32Å; P482-T495 HydrophobicContact CB-CG2 3.98Å; P482-T495 WeakPolarHBondContact CB-OG1 3.17Å; P482-T495 WeakPolarHBondContact CD-OG1 3.25Å; P482-T495 HydrophobicContact CG-CG2 4.34Å; T487-T495 HydrophobicContact CG2-CG2 3.95Å; S493-T495 PolarHBondContact O-N 2.99Å; S493-T495 WeakPolarHBondContact OG-CA 3.22Å; S493-T495 PolarHBondContact OG-N 3Å; T495-Y566 HydrophobicContact CG2-CD1 3.73Å; T495-Y566 HydrophobicContact CG2-CE1 3.69Å; T495-F567 PolarHBondContact O-N 3.44Å
496	F	98.6	Very high	96.4	Very high	22 Å²	22	8.4 Å²	8.4	10%	0.096	5%	0.051	C	C	.	.	S	Bend	trans	-116.4	160.6	-167.3	-58.8	-77.3	0	0	0	112.1	F63 Y66 L480 T481 T487 A494 Y566	F63-F496 AromaticContact CE2-CD2 3.77Å; F63-F496 HydrophobicContact CE2-CD2 3.77Å; F63-F496 AromaticContact CE2-CE2 3.44Å; F63-F496 HydrophobicContact CE2-CE2 3.44Å; F63-F496 VanDerWaalsContact CE2-CE2 3.44Å; F63-F496 HydrophobicContact CE2-CG 4.43Å; F63-F496 AromaticContact CE2-CZ 3.84Å; F63-F496 HydrophobicContact CE2-CZ 3.84Å; F63-F496 HydrophobicContact CZ-CD2 4.33Å; F63-F496 HydrophobicContact CZ-CE1 4.13Å; F63-F496 AromaticContact CZ-CE2 3.8Å; F63-F496 HydrophobicContact CZ-CE2 3.8Å; F63-F496 AromaticContact CZ-CZ 3.67Å; F63-F496 HydrophobicContact CZ-CZ 3.67Å; Y66-F496 HydrophobicContact CE1-CB 4.01Å; Y66-F496 HydrophobicContact CE1-CG 4.28Å; Y66-F496 VanDerWaalsContact OH-CB 3.24Å; Y66-F496 WeakPolarHBondContact OH-CB 3.41Å; L480-F496 WeakPolarHBondContact CA-O 3.34Å; T481-F496 PolarHBondContact N-O 2.7Å; T487-F496 HydrophobicContact CG2-CD2 3.66Å; T487-F496 HydrophobicContact CG2-CE2 3.85Å; A494-F496 PolarHBondContact O-N 3.45Å; F496-Y566 HydrophobicContact CE1-CD2 4.18Å; F496-Y566 HydrophobicContact CE1-CE2 4.25Å; F496-Y566 HydrophobicContact CE2-CD1 4.41Å; F496-Y566 HydrophobicContact CE2-CD2 4.23Å; F496-Y566 AromaticContact CE2-CE1 3.89Å; F496-Y566 HydrophobicContact CE2-CE1 3.89Å; F496-Y566 AromaticContact CE2-CE2 3.73Å; F496-Y566 HydrophobicContact CE2-CE2 3.73Å; F496-Y566 AromaticContact CE2-CZ 3.5Å; F496-Y566 AromaticContact CZ-CD2 3.64Å; F496-Y566 HydrophobicContact CZ-CD2 3.64Å; F496-Y566 HydrophobicContact CZ-CE1 4.27Å; F496-Y566 AromaticContact CZ-CE2 3.3Å; F496-Y566 HydrophobicContact CZ-CE2 3.3Å; F496-Y566 HydrophobicContact CZ-CG 4.26Å; F496-Y566 AromaticContact CZ-CZ 3.63Å
497	P	98.6	Very high	96.1	Very high	8 Å²	8	10.2 Å²	10.2	5%	0.052	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-66	145.3	176.3	23.9	-33.7	0	0	0	114.2	Y66 Y70 V479 L480 V501 P503	Y66-P497 WeakPolarHBondContact CE2-O 3.47Å; Y66-P497 PolarHBondContact OH-O 3.36Å; Y70-P497 HydrophobicContact CD2-CG 4.43Å; Y70-P497 HydrophobicContact CE1-CG 4.08Å; Y70-P497 HydrophobicContact CE2-CB 3.75Å; Y70-P497 HydrophobicContact CE2-CG 3.58Å; Y70-P497 WeakPolarHBondContact OH-CG 3.43Å; V479-P497 WeakPolarHBondContact O-CA 3.36Å; L480-P497 HydrophobicContact CD2-CB 3.87Å; P497-V501 HydrophobicContact CB-CB 4.3Å; P497-V501 HydrophobicContact CB-CG1 4.46Å; P497-P503 HydrophobicContact CB-CG 3.77Å; P497-P503 HydrophobicContact CG-CG 3.83Å
498	F	98.8	Very high	95.6	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.009	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-73.5	166.5	169.2	-162.4	-105.5	0	0	0	111.4	Y70 Y341 L344 T345 C348 V349 V479 T481 L483 G500 V501	Y70-F498 WeakPolarHBondContact CE2-O 3.47Å; Y341-F498 HydrophobicContact CE2-CD1 4.13Å; L344-F498 HydrophobicContact CD2-CE1 4.14Å; L344-F498 HydrophobicContact CD2-CZ 4.37Å; L344-F498 HydrophobicContact CG-CE1 4.15Å; L344-F498 HydrophobicContact CG-CZ 4.01Å; T345-F498 HydrophobicContact CG2-CD1 3.54Å; T345-F498 HydrophobicContact CG2-CE1 3.32Å; T345-F498 HydrophobicContact CG2-CE2 4.47Å; T345-F498 HydrophobicContact CG2-CG 4.22Å; T345-F498 HydrophobicContact CG2-CZ 3.85Å; C348-F498 HydrophobicContact CB-CE2 3.99Å; C348-F498 HydrophobicContact CB-CZ 4.16Å; V349-F498 HydrophobicContact CG2-CD2 4.04Å; V349-F498 HydrophobicContact CG2-CE2 3.8Å; V479-F498 PolarHBondContact O-N 2.97Å; T481-F498 HydrophobicContact CG2-CB 4.37Å; T481-F498 HydrophobicContact CG2-CD2 4.03Å; L483-F498 HydrophobicContact CD2-CD2 4.2Å; L483-F498 HydrophobicContact CD2-CE2 3.96Å; F498-G500 PolarHBondContact O-N 3.01Å; F498-V501 WeakPolarHBondContact O-CB 3.42Å; F498-V501 PolarHBondContact O-N 2.86Å; F498-V501 VanDerWaalsContact O-N 3.15Å
499	F	98.8	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	134	-177.5	-52.2	-44.4	0	0	0	112.5	V60 Y66 M69 Y70 F80 W81 L344 L483 V501	V60-F499 HydrophobicContact CG2-CE2 4.47Å; V60-F499 HydrophobicContact CG2-CZ 4.16Å; Y66-F499 AromaticContact CD2-CE1 3.87Å; Y66-F499 HydrophobicContact CD2-CE1 3.87Å; Y66-F499 HydrophobicContact CD2-CZ 4.41Å; Y66-F499 HydrophobicContact CE2-CE1 4.17Å; M69-F499 HydrophobicContact CB-CD1 4.15Å; M69-F499 HydrophobicContact CB-CE1 3.48Å; M69-F499 VanDerWaalsContact CB-CE1 3.48Å; M69-F499 HydrophobicContact CB-CZ 3.7Å; M69-F499 HydrophobicContact CE-CD2 4.48Å; M69-F499 HydrophobicContact CE-CE2 3.7Å; M69-F499 HydrophobicContact CE-CZ 3.8Å; M69-F499 HydrophobicContact CG-CZ 4.48Å; M69-F499 HydrophobicContact SD-CE2 4.49Å; M69-F499 HydrophobicContact SD-CZ 4Å; Y70-F499 HydrophobicContact CD2-CD1 4.5Å; F80-F499 HydrophobicContact CE1-CB 3.8Å; F80-F499 HydrophobicContact CE1-CG 4.43Å; F80-F499 HydrophobicContact CZ-CB 3.61Å; F80-F499 AromaticContact CZ-CD2 3.85Å; F80-F499 HydrophobicContact CZ-CD2 3.85Å; F80-F499 AromaticContact CZ-CG 3.75Å; F80-F499 HydrophobicContact CZ-CG 3.75Å; W81-F499 WeakPolarHBondContact CZ2-O 3.46Å; L344-F499 HydrophobicContact CD2-CD2 4.05Å; L483-F499 HydrophobicContact CD1-CE1 4.48Å; L483-F499 HydrophobicContact CD1-CE2 4.41Å; L483-F499 HydrophobicContact CD1-CZ 3.81Å; F499-V501 VanDerWaalsContact C-N 3.27Å; F499-V501 PolarHBondContact O-N 3.43Å
500	G	97.9	Very high	95	Very high	7 Å²	7	22 Å²	22	7%	0.072	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-4.8	-177.1	0	0	0	0	0	115.3	S73 F498	S73-G500 PolarHBondContact OG-N 2.8Å; F498-G500 PolarHBondContact O-N 3.01Å
501	V	98.6	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.			trans	-97.2	127.2	-179.6	-176.6	0	0	0	0	110.4	Y70 Y341 V479 P497 F498 F499 P503 F523 W527	Y70-V501 WeakPolarHBondContact CE2-O 3.34Å; Y70-V501 PolarHBondContact OH-O 3.35Å; Y341-V501 VanDerWaalsContact OH-CG2 3.22Å; Y341-V501 WeakPolarHBondContact OH-CG2 3.49Å; V479-V501 HydrophobicContact CB-CG1 4.08Å; V479-V501 HydrophobicContact CB-CG2 4.16Å; V479-V501 HydrophobicContact CG1-CG2 4.08Å; P497-V501 HydrophobicContact CB-CB 4.3Å; P497-V501 HydrophobicContact CB-CG1 4.46Å; F498-V501 WeakPolarHBondContact O-CB 3.42Å; F498-V501 PolarHBondContact O-N 2.86Å; F498-V501 VanDerWaalsContact O-N 3.15Å; F499-V501 VanDerWaalsContact C-N 3.27Å; F499-V501 PolarHBondContact O-N 3.43Å; V501-P503 VanDerWaalsContact O-CD 3.31Å; V501-P503 WeakPolarHBondContact O-CD 3.42Å; V501-F523 HydrophobicContact CG1-CD1 3.56Å; V501-F523 HydrophobicContact CG1-CE1 3.47Å; V501-F523 VanDerWaalsContact CG1-CE1 3.47Å; V501-F523 HydrophobicContact CG1-CG 4.36Å; V501-F523 HydrophobicContact CG1-CZ 4.2Å; V501-W527 HydrophobicContact CG2-CB 4.49Å; V501-W527 HydrophobicContact CG2-CD2 4.17Å; V501-W527 HydrophobicContact CG2-CE3 4.36Å; V501-W527 HydrophobicContact CG2-CG 4.22Å
502	E	97.7	Very high	95.1	Very high	41 Å²	41	30.4 Å²	30.4	19%	0.192	16%	0.158	C	C	.	.			trans	-117.3	84.7	-179.7	-164.4	-179.2	160.5	0	0	110.1	L74 F523 R524 K525	L74-E502 HydrophobicContact CD1-CG 4.4Å; L74-E502 HydrophobicContact CD2-CB 4.16Å; E502-F523 WeakPolarHBondContact O-CA 3.31Å; E502-R524 HydrophobicContact CB-CB 4.31Å; E502-R524 HydrophobicContact CG-CB 4.24Å; E502-R524 PolarHBondContact O-N 3.04Å; E502-R524 VanDerWaalsContact OE1-CD 3.23Å; E502-R524 WeakPolarHBondContact OE1-CD 3.48Å; E502-R524 IonicContact OE1-NE 3.43Å; E502-R524 PolarHBondContact OE1-NE 3.37Å; E502-K525 WeakPolarHBondContact OE2-CD 3.47Å; E502-K525 VanDerWaalsContact OE2-CE 3.29Å; E502-K525 WeakPolarHBondContact OE2-CE 3.31Å; E502-K525 IonicContact OE2-NZ 3.87Å; E502-K525 PolarHBondContact OE2-NZ 3.41Å; E502-K525 VanDerWaalsContact OE2-NZ 3.16Å
503	P	97.8	Very high	95.7	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.7	179.9	32.2	-35.6	0	0	0	112.2	L480 P497 V501 L521 V522 F523 F567	L480-P503 HydrophobicContact CD2-CB 4.15Å; L480-P503 HydrophobicContact CD2-CG 3.96Å; P497-P503 HydrophobicContact CB-CG 3.77Å; P497-P503 HydrophobicContact CG-CG 3.83Å; V501-P503 VanDerWaalsContact O-CD 3.31Å; V501-P503 WeakPolarHBondContact O-CD 3.42Å; P503-L521 HydrophobicContact CB-CD1 4.01Å; P503-V522 WeakPolarHBondContact CA-O 3.44Å; P503-F523 HydrophobicContact CB-CD1 4.07Å; P503-F523 HydrophobicContact CB-CE1 3.94Å; P503-F567 HydrophobicContact CB-CE1 4.03Å; P503-F567 HydrophobicContact CB-CZ 3.85Å; P503-F567 HydrophobicContact CG-CE1 4.33Å; P503-F567 HydrophobicContact CG-CE2 3.94Å; P503-F567 HydrophobicContact CG-CZ 3.67Å
504	T	96.8	Very high	95.7	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.5	172.3	-89.6	0	0	0	0	109.2	L506 E512 V522 R524 F552	T504-L506 HydrophobicContact CG2-CD2 3.43Å; T504-L506 VanDerWaalsContact CG2-CD2 3.43Å; T504-L506 HydrophobicContact CG2-CG 4.04Å; T504-E512 HydrophobicContact CG2-CB 4.28Å; T504-E512 HydrophobicContact CG2-CG 3.83Å; T504-E512 WeakPolarHBondContact CG2-OE1 3.4Å; T504-E512 PolarHBondContact OG1-OE1 2.94Å; T504-V522 HydrophobicContact CG2-CG2 3.83Å; T504-V522 PolarHBondContact N-O 3.35Å; T504-V522 WeakPolarHBondContact O-CG2 3.48Å; T504-V522 PolarHBondContact O-N 3.35Å; T504-R524 PolarHBondContact OG1-NH2 2.88Å; T504-F552 HydrophobicContact CG2-CE1 4.19Å
505	I	97.6	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.6	171.8	-66.3	175.3	0	0	0	108.2	V513 A517 E518 Y520 A559 R561 F567	I505-V513 PolarHBondContact O-N 2.8Å; I505-A517 HydrophobicContact CB-CB 4.05Å; I505-A517 HydrophobicContact CD1-CB 3.87Å; I505-A517 HydrophobicContact CG2-CB 4.03Å; I505-E518 VanDerWaalsContact CG2-C 3.47Å; I505-Y520 WeakPolarHBondContact CA-O 3.31Å; I505-A559 HydrophobicContact CD1-CB 4.45Å; I505-R561 HydrophobicContact CD1-CB 3.61Å; I505-F567 HydrophobicContact CD1-CD1 4.46Å; I505-F567 HydrophobicContact CD1-CE1 4.1Å; I505-F567 HydrophobicContact CG1-CE1 4.16Å
506	L	96.4	Very high	95.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.4	174.3	-55.8	-177	0	0	0	111	T504 E511 E512 Y520 V522 F549 F552	T504-L506 HydrophobicContact CG2-CD2 3.43Å; T504-L506 VanDerWaalsContact CG2-CD2 3.43Å; T504-L506 HydrophobicContact CG2-CG 4.04Å; L506-E511 CarbonylContact C-O 3.57Å; L506-E511 VanDerWaalsContact CA-O 3.31Å; L506-E511 WeakPolarHBondContact CA-O 3.43Å; L506-E512 HydrophobicContact CD2-CB 3.94Å; L506-Y520 PolarHBondContact N-O 3.33Å; L506-Y520 WeakPolarHBondContact O-CD2 3.45Å; L506-Y520 PolarHBondContact O-N 3.13Å; L506-V522 HydrophobicContact CD1-CB 4.5Å; L506-V522 HydrophobicContact CD1-CG1 4.01Å; L506-V522 HydrophobicContact CD1-CG2 3.79Å; L506-V522 HydrophobicContact CD2-CG2 4.4Å; L506-V522 HydrophobicContact CG-CG1 4.3Å; L506-V522 HydrophobicContact CG-CG2 3.68Å; L506-F549 HydrophobicContact CD1-CB 3.86Å; L506-F549 HydrophobicContact CD1-CD1 4.13Å; L506-F549 HydrophobicContact CD1-CD2 3.75Å; L506-F549 HydrophobicContact CD1-CE2 4.29Å; L506-F549 HydrophobicContact CD1-CG 3.65Å; L506-F552 HydrophobicContact CD1-CD2 4.08Å; L506-F552 HydrophobicContact CD1-CE2 4.24Å; L506-F552 HydrophobicContact CD1-CG 4.33Å; L506-F552 HydrophobicContact CD2-CZ 4.37Å
507	N	89.7	Confident	95.2	Very high	42 Å²	42	47.9 Å²	47.9	23%	0.225	25%	0.253	C	S	.	.			trans	-80.1	-179.1	166.3	72.4	14.8	0	0	0	111.5	H509 G510 E511 V513	N507-H509 PolarHBondContact O-N 3.48Å; N507-H509 WeakPolarHBondContact OD1-CA 3.12Å; N507-H509 WeakPolarHBondContact OD1-CB 3.43Å; N507-H509 PolarHBondContact OD1-N 2.9Å; N507-G510 PolarHBondContact O-N 3.37Å; N507-G510 PolarHBondContact OD1-N 2.96Å; N507-E511 PolarHBondContact N-O 3.01Å; N507-E511 PolarHBondContact ND2-OE2 2.81Å; N507-E511 PolarHBondContact OD1-N 3.06Å; N507-E511 PolarHBondContact OD1-O 3.32Å; N507-V513 HydrophobicContact CB-CG2 4.1Å
508	E	86.4	Confident	94.7	Very high	92 Å²	92	51 Å²	51	43%	0.43	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	177.9	-70.3	-66.6	162.7	0	0	114.3	G510 Y520	E508-G510 VanDerWaalsContact C-N 3.32Å; E508-Y520 HydrophobicContact CG-CE2 4.18Å; E508-Y520 VanDerWaalsContact OE1-CE2 3.26Å; E508-Y520 WeakPolarHBondContact OE1-CE2 3.41Å; E508-Y520 VanDerWaalsContact OE1-CZ 3.28Å; E508-Y520 PolarHBondContact OE1-OH 3.16Å; E508-Y520 WeakPolarHBondContact OE2-CE2 3.25Å; E508-Y520 PolarHBondContact OE2-OH 2.9Å
509	H	88.3	Confident	94.2	Very high	159 Å²	159	51.2 Å²	51.2	74%	0.736	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.3	178.7	-57	-52.5	0	0	0	112.8	N507 E511	N507-H509 PolarHBondContact O-N 3.48Å; N507-H509 WeakPolarHBondContact OD1-CA 3.12Å; N507-H509 WeakPolarHBondContact OD1-CB 3.43Å; N507-H509 PolarHBondContact OD1-N 2.9Å; H509-E511 VanDerWaalsContact C-N 3.3Å; H509-E511 HydrophobicContact CB-CG 4.14Å
510	G	91.6	Very high	94	Very high	25 Å²	25	52 Å²	52	26%	0.258	27%	0.273	S	S	.	.	S	Bend	trans	77.8	15.4	-176	0	0	0	0	0	113.5	N507 E508	N507-G510 PolarHBondContact O-N 3.37Å; N507-G510 PolarHBondContact OD1-N 2.96Å; E508-G510 VanDerWaalsContact C-N 3.32Å
511	E	95.6	Very high	94	Very high	118 Å²	118	51.7 Å²	51.7	55%	0.551	27%	0.269	S	S	*	.			trans	-88.7	138.8	175.6	-52	169.2	144.2	0	0	109.7	L506 N507 H509	L506-E511 CarbonylContact C-O 3.57Å; L506-E511 VanDerWaalsContact CA-O 3.31Å; L506-E511 WeakPolarHBondContact CA-O 3.43Å; N507-E511 PolarHBondContact N-O 3.01Å; N507-E511 PolarHBondContact ND2-OE2 2.81Å; N507-E511 PolarHBondContact OD1-N 3.06Å; N507-E511 PolarHBondContact OD1-O 3.32Å; H509-E511 VanDerWaalsContact C-N 3.3Å; H509-E511 HydrophobicContact CB-CG 4.14Å
512	E	96.5	Very high	94	Very high	83 Å²	83	51.7 Å²	51.7	39%	0.388	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-72.4	135.5	178.4	177.9	159.2	-158.3	0	0	111.8	T504 L506 R524	T504-E512 HydrophobicContact CG2-CB 4.28Å; T504-E512 HydrophobicContact CG2-CG 3.83Å; T504-E512 WeakPolarHBondContact CG2-OE1 3.4Å; T504-E512 PolarHBondContact OG1-OE1 2.94Å; L506-E512 HydrophobicContact CD2-CB 3.94Å; E512-R524 IonicContact OE1-NH2 2.79Å; E512-R524 PolarHBondContact OE1-NH2 3.36Å; E512-R524 IonicContact OE2-CZ 3.34Å; E512-R524 IonicContact OE2-NH1 3.65Å; E512-R524 IonicContact OE2-NH2 3.65Å; E512-R524 PolarHBondContact OE2-NH2 3.26Å
513	V	95.3	Very high	94	Very high	42 Å²	42	49.8 Å²	49.8	26%	0.255	26%	0.26	S	S	.	.			trans	-101.5	114	176.7	-170.8	0	0	0	0	108.7	I505 N507 A517 R561	I505-V513 PolarHBondContact O-N 2.8Å; N507-V513 HydrophobicContact CB-CG2 4.1Å; V513-A517 HydrophobicContact CB-CB 3.78Å; V513-A517 HydrophobicContact CG1-CB 3.58Å; V513-R561 PolarHBondContact O-NH2 3.43Å
514	E	93.8	Very high	94	Very high	174 Å²	174	52.4 Å²	52.4	81%	0.813	27%	0.268	S	S	*	.			trans	-82	156.3	178.9	-64.4	-172.6	173.3	0	0	112.4
515	G	94.7	Very high	93.9	Very high	49 Å²	49	56 Å²	56	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	66.4	-137.6	177.6	0	0	0	0	0	113.3	A517 R561	G515-A517 PolarHBondContact O-N 3.15Å; G515-R561 VanDerWaalsContact O-CZ 3.26Å; G515-R561 PolarHBondContact O-NE 3.1Å; G515-R561 PolarHBondContact O-NH2 3Å
516	E	95.8	Very high	93.9	Very high	136 Å²	136	56.3 Å²	56.3	64%	0.636	29%	0.286	S	S	*	.	S	Bend	trans	-62.6	122.6	170.1	-69.9	-177.6	-98.7	0	0	109.8	R561 K563	E516-R561 WeakPolarHBondContact CA-O 3.16Å; E516-K563 HydrophobicContact CG-CB 3.86Å
517	A	92.8	Very high	94	Very high	8 Å²	8	56.3 Å²	56.3	7%	0.066	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.7	-167.7	0	0	0	0	0	111.8	I505 V513 G515 R560 R561	I505-A517 HydrophobicContact CB-CB 4.05Å; I505-A517 HydrophobicContact CD1-CB 3.87Å; I505-A517 HydrophobicContact CG2-CB 4.03Å; V513-A517 HydrophobicContact CB-CB 3.78Å; V513-A517 HydrophobicContact CG1-CB 3.58Å; G515-A517 PolarHBondContact O-N 3.15Å; A517-R560 CarbonylContact O-C 3.59Å; A517-R560 VanDerWaalsContact O-CA 3.22Å; A517-R560 WeakPolarHBondContact O-CA 3.41Å; A517-R560 WeakPolarHBondContact O-CG 3.47Å; A517-R561 HydrophobicContact CB-CB 4.48Å; A517-R561 PolarHBondContact N-O 3.07Å; A517-R561 PolarHBondContact O-N 2.87Å
518	E	88.6	Confident	94.4	Very high	75 Å²	75	54.3 Å²	54.3	35%	0.35	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.3	170.9	-175.8	171.6	-175.9	0	0	109.3	I505 A559 R560	I505-E518 VanDerWaalsContact CG2-C 3.47Å; E518-A559 WeakPolarHBondContact CA-O 3.18Å; E518-R560 HydrophobicContact CB-CB 4.5Å; E518-R560 HydrophobicContact CB-CG 4.42Å; E518-R560 HydrophobicContact CG-CB 4.43Å
519	G	88.6	Confident	95	Very high	6 Å²	6	49.9 Å²	49.9	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-149.8	-178.4	0	0	0	0	0	113.3	L521 G558 A559	G519-L521 PolarHBondContact O-N 3.06Å; G519-G558 CarbonylContact O-C 3.48Å; G519-G558 VanDerWaalsContact O-CA 3.26Å; G519-G558 WeakPolarHBondContact O-CA 3.12Å; G519-A559 PolarHBondContact N-O 3Å; G519-A559 VanDerWaalsContact N-O 3.07Å; G519-A559 PolarHBondContact O-N 3.08Å
520	Y	94.5	Very high	95.5	Very high	17 Å²	17	42.4 Å²	42.4	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.2	-178.9	-67.2	-85	0	0	0	111.1	I505 L506 E508 V522 K548 F549 I573	I505-Y520 WeakPolarHBondContact CA-O 3.31Å; L506-Y520 PolarHBondContact N-O 3.33Å; L506-Y520 WeakPolarHBondContact O-CD2 3.45Å; L506-Y520 PolarHBondContact O-N 3.13Å; E508-Y520 HydrophobicContact CG-CE2 4.18Å; E508-Y520 VanDerWaalsContact OE1-CE2 3.26Å; E508-Y520 WeakPolarHBondContact OE1-CE2 3.41Å; E508-Y520 VanDerWaalsContact OE1-CZ 3.28Å; E508-Y520 PolarHBondContact OE1-OH 3.16Å; E508-Y520 WeakPolarHBondContact OE2-CE2 3.25Å; E508-Y520 PolarHBondContact OE2-OH 2.9Å; Y520-V522 PolarHBondContact O-N 3.41Å; Y520-K548 PolarHBondContact OH-NZ 3.48Å; Y520-F549 HydrophobicContact CD1-CE2 4.04Å; Y520-F549 AromaticContact CD2-CE2 3.99Å; Y520-F549 HydrophobicContact CD2-CE2 3.99Å; Y520-F549 AromaticContact CD2-CZ 3.87Å; Y520-F549 HydrophobicContact CD2-CZ 3.87Å; Y520-F549 HydrophobicContact CE2-CZ 4.27Å; Y520-F549 AromaticContact CG-CE2 3.66Å; Y520-F549 HydrophobicContact CG-CE2 3.66Å; Y520-F549 HydrophobicContact CG-CZ 4.03Å; Y520-I573 HydrophobicContact CD1-CB 4.31Å; Y520-I573 HydrophobicContact CD1-CD1 3.82Å; Y520-I573 HydrophobicContact CD1-CG2 3.7Å; Y520-I573 HydrophobicContact CE1-CB 3.85Å; Y520-I573 HydrophobicContact CE1-CD1 3.59Å; Y520-I573 HydrophobicContact CE1-CG1 4.24Å; Y520-I573 HydrophobicContact CE1-CG2 3.7Å
521	L	97.4	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.3	169.5	-178.9	62.9	0	0	0	109.5	F470 L480 P503 G519 T555 D557 A559 F567 I569	F470-L521 HydrophobicContact CD1-CD2 4.29Å; F470-L521 HydrophobicContact CE1-CD2 3.48Å; F470-L521 VanDerWaalsContact CE1-CD2 3.48Å; F470-L521 HydrophobicContact CZ-CD2 3.92Å; L480-L521 HydrophobicContact CD1-CD1 4.43Å; L480-L521 HydrophobicContact CD1-CD2 3.88Å; P503-L521 HydrophobicContact CB-CD1 4.01Å; G519-L521 PolarHBondContact O-N 3.06Å; L521-T555 HydrophobicContact CB-CG2 4.48Å; L521-T555 HydrophobicContact CD2-CG2 4.27Å; L521-T555 HydrophobicContact CG-CG2 4.04Å; L521-T555 WeakPolarHBondContact O-CB 3.42Å; L521-T555 VanDerWaalsContact O-CG2 3.31Å; L521-T555 WeakPolarHBondContact O-CG2 3.22Å; L521-T555 PolarHBondContact O-N 2.97Å; L521-T555 PolarHBondContact O-OG1 2.82Å; L521-D557 WeakPolarHBondContact CB-O 3.33Å; L521-D557 PolarHBondContact N-O 2.78Å; L521-A559 HydrophobicContact CB-CB 3.86Å; L521-A559 HydrophobicContact CD1-CB 4.21Å; L521-A559 HydrophobicContact CD2-CB 4.27Å; L521-A559 HydrophobicContact CG-CB 4.34Å; L521-F567 HydrophobicContact CD1-CD1 4.29Å; L521-F567 HydrophobicContact CD1-CE1 4.17Å; L521-I569 HydrophobicContact CD2-CD1 3.85Å
522	V	98.3	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.2	176.3	-56.4	0	0	0	0	110.9	P503 T504 L506 Y520 F549 F552 Y553 V554	P503-V522 WeakPolarHBondContact CA-O 3.44Å; T504-V522 HydrophobicContact CG2-CG2 3.83Å; T504-V522 PolarHBondContact N-O 3.35Å; T504-V522 WeakPolarHBondContact O-CG2 3.48Å; T504-V522 PolarHBondContact O-N 3.35Å; L506-V522 HydrophobicContact CD1-CB 4.5Å; L506-V522 HydrophobicContact CD1-CG1 4.01Å; L506-V522 HydrophobicContact CD1-CG2 3.79Å; L506-V522 HydrophobicContact CD2-CG2 4.4Å; L506-V522 HydrophobicContact CG-CG1 4.3Å; L506-V522 HydrophobicContact CG-CG2 3.68Å; Y520-V522 PolarHBondContact O-N 3.41Å; V522-F549 HydrophobicContact CG1-CD2 4.01Å; V522-F552 HydrophobicContact CB-CB 4.01Å; V522-F552 HydrophobicContact CB-CD1 4.28Å; V522-F552 HydrophobicContact CB-CG 4.42Å; V522-F552 HydrophobicContact CG2-CB 4.12Å; V522-F552 HydrophobicContact CG2-CD1 3.53Å; V522-F552 HydrophobicContact CG2-CE1 4.14Å; V522-F552 HydrophobicContact CG2-CG 3.97Å; V522-Y553 CarbonylContact C-O 3.46Å; V522-Y553 WeakPolarHBondContact CA-O 3.1Å; V522-Y553 WeakPolarHBondContact CB-O 3.14Å; V522-V554 HydrophobicContact CG1-CG2 4.24Å
523	F	98.4	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132	172.5	-56.9	-58.3	0	0	0	111	T475 V479 V501 E502 P503 W527 F552 Y553 T555	T475-F523 HydrophobicContact CG2-CE2 4.49Å; V479-F523 HydrophobicContact CB-CZ 3.98Å; V479-F523 HydrophobicContact CG2-CE2 4.28Å; V479-F523 HydrophobicContact CG2-CZ 3.71Å; V501-F523 HydrophobicContact CG1-CD1 3.56Å; V501-F523 HydrophobicContact CG1-CE1 3.47Å; V501-F523 VanDerWaalsContact CG1-CE1 3.47Å; V501-F523 HydrophobicContact CG1-CG 4.36Å; V501-F523 HydrophobicContact CG1-CZ 4.2Å; E502-F523 WeakPolarHBondContact O-CA 3.31Å; P503-F523 HydrophobicContact CB-CD1 4.07Å; P503-F523 HydrophobicContact CB-CE1 3.94Å; F523-W527 HydrophobicContact CB-CH2 4.39Å; F523-W527 HydrophobicContact CB-CZ3 3.72Å; F523-W527 AromaticContact CD2-CH2 3.31Å; F523-W527 HydrophobicContact CD2-CH2 3.31Å; F523-W527 HydrophobicContact CD2-CZ2 4.44Å; F523-W527 AromaticContact CD2-CZ3 3.49Å; F523-W527 HydrophobicContact CD2-CZ3 3.49Å; F523-W527 VanDerWaalsContact CD2-CZ3 3.49Å; F523-W527 AromaticContact CE2-CH2 3.76Å; F523-W527 HydrophobicContact CE2-CH2 3.76Å; F523-W527 HydrophobicContact CE2-CZ3 4.26Å; F523-W527 HydrophobicContact CG-CH2 4.02Å; F523-W527 AromaticContact CG-CZ3 3.7Å; F523-W527 HydrophobicContact CG-CZ3 3.7Å; F523-F552 WeakPolarHBondContact O-CA 3.34Å; F523-Y553 AromaticContact CD2-CD1 3.53Å; F523-Y553 HydrophobicContact CD2-CD1 3.53Å; F523-Y553 AromaticContact CD2-CE1 4Å; F523-Y553 HydrophobicContact CD2-CE1 4Å; F523-Y553 HydrophobicContact CE2-CD1 4.23Å; F523-Y553 HydrophobicContact CE2-CE1 4.25Å; F523-Y553 HydrophobicContact CG-CD1 4.47Å; F523-Y553 PolarHBondContact N-O 2.82Å; F523-Y553 PolarHBondContact O-N 2.86Å; F523-T555 HydrophobicContact CD2-CG2 3.91Å; F523-T555 HydrophobicContact CE2-CG2 3.44Å; F523-T555 VanDerWaalsContact CE2-CG2 3.44Å; F523-T555 HydrophobicContact CZ-CG2 3.95Å
524	R	96.7	Very high	96	Very high	69 Å²	69	32.2 Å²	32.2	26%	0.26	16%	0.164	S	C	.	.	S	Bend	trans	-74.8	-30.4	-174.7	-166	-175.9	-56.8	-80.3	-1.1	113.5	E502 T504 E512 F552	E502-R524 HydrophobicContact CB-CB 4.31Å; E502-R524 HydrophobicContact CG-CB 4.24Å; E502-R524 PolarHBondContact O-N 3.04Å; E502-R524 VanDerWaalsContact OE1-CD 3.23Å; E502-R524 WeakPolarHBondContact OE1-CD 3.48Å; E502-R524 IonicContact OE1-NE 3.43Å; E502-R524 PolarHBondContact OE1-NE 3.37Å; T504-R524 PolarHBondContact OG1-NH2 2.88Å; E512-R524 IonicContact OE1-NH2 2.79Å; E512-R524 PolarHBondContact OE1-NH2 3.36Å; E512-R524 IonicContact OE2-CZ 3.34Å; E512-R524 IonicContact OE2-NH1 3.65Å; E512-R524 IonicContact OE2-NH2 3.65Å; E512-R524 PolarHBondContact OE2-NH2 3.26Å; R524-F552 HydrophobicContact CB-CD1 4.25Å; R524-F552 HydrophobicContact CB-CE1 4.09Å; R524-F552 HydrophobicContact CG-CD1 4.43Å; R524-F552 HydrophobicContact CG-CE1 3.97Å
525	K	95.8	Very high	96.2	Very high	79 Å²	79	25.5 Å²	25.5	34%	0.343	13%	0.132	S	C	.	.	S	Bend	trans	-141.3	155.8	-173.3	-56.9	-173.8	-173.4	148.8	0	110.3	Y101 F103 E502	Y101-K525 WeakPolarHBondContact OH-CG 3.37Å; F103-K525 VanDerWaalsContact CE2-C 3.43Å; E502-K525 WeakPolarHBondContact OE2-CD 3.47Å; E502-K525 VanDerWaalsContact OE2-CE 3.29Å; E502-K525 WeakPolarHBondContact OE2-CE 3.31Å; E502-K525 IonicContact OE2-NZ 3.87Å; E502-K525 PolarHBondContact OE2-NZ 3.41Å; E502-K525 VanDerWaalsContact OE2-NZ 3.16Å
526	P	97.1	Very high	96.1	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.045	14%	0.141	C	C	.	.			trans	-73.3	160.9	172.8	32.7	-37.2	0	0	0	111.4	Y101 F103 V112 I530	Y101-P526 HydrophobicContact CD1-CG 3.41Å; Y101-P526 VanDerWaalsContact CD1-CG 3.41Å; Y101-P526 VanDerWaalsContact CD2-CD 3.45Å; Y101-P526 HydrophobicContact CD2-CG 3.86Å; Y101-P526 HydrophobicContact CE1-CG 3.91Å; Y101-P526 VanDerWaalsContact CE2-CD 3.45Å; Y101-P526 HydrophobicContact CE2-CG 4.3Å; Y101-P526 HydrophobicContact CG-CG 3.39Å; F103-P526 HydrophobicContact CE1-CB 4.03Å; F103-P526 HydrophobicContact CE1-CG 4.39Å; F103-P526 HydrophobicContact CE2-CB 4.38Å; F103-P526 HydrophobicContact CZ-CB 3.58Å; F103-P526 HydrophobicContact CZ-CG 4.15Å; V112-P526 HydrophobicContact CG1-CB 3.81Å; V112-P526 HydrophobicContact CG1-CG 4.29Å; V112-P526 HydrophobicContact CG2-CB 4.12Å; P526-I530 HydrophobicContact CB-CG2 4.06Å
527	W	98.1	Very high	96	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.128	C	C	.	.			trans	-123.7	166	165.9	57.6	95.7	0	0	0	108.3	Y341 T475 V479 V501 F523 G529 I530 Y553	Y341-W527 AromaticContact CD1-CD1 3.93Å; Y341-W527 AromaticContact CD2-CD1 3.83Å; Y341-W527 AromaticContact CE1-CD1 3.55Å; Y341-W527 AromaticContact CE1-NE1 3.75Å; Y341-W527 HydrophobicContact CE2-CB 4.07Å; Y341-W527 AromaticContact CE2-CD1 3.45Å; Y341-W527 VanDerWaalsContact CE2-CD1 3.45Å; Y341-W527 HydrophobicContact CE2-CG 4Å; Y341-W527 AromaticContact CZ-CD1 3.31Å; Y341-W527 AromaticContact CZ-NE1 3.85Å; T475-W527 HydrophobicContact CG2-CH2 4.3Å; T475-W527 HydrophobicContact CG2-CZ2 3.76Å; T475-W527 PolarHBondContact O-NE1 2.97Å; V479-W527 HydrophobicContact CG1-CH2 4.49Å; V479-W527 HydrophobicContact CG1-CZ2 3.85Å; V501-W527 HydrophobicContact CG2-CB 4.49Å; V501-W527 HydrophobicContact CG2-CD2 4.17Å; V501-W527 HydrophobicContact CG2-CE3 4.36Å; V501-W527 HydrophobicContact CG2-CG 4.22Å; F523-W527 HydrophobicContact CB-CH2 4.39Å; F523-W527 HydrophobicContact CB-CZ3 3.72Å; F523-W527 AromaticContact CD2-CH2 3.31Å; F523-W527 HydrophobicContact CD2-CH2 3.31Å; F523-W527 HydrophobicContact CD2-CZ2 4.44Å; F523-W527 AromaticContact CD2-CZ3 3.49Å; F523-W527 HydrophobicContact CD2-CZ3 3.49Å; F523-W527 VanDerWaalsContact CD2-CZ3 3.49Å; F523-W527 AromaticContact CE2-CH2 3.76Å; F523-W527 HydrophobicContact CE2-CH2 3.76Å; F523-W527 HydrophobicContact CE2-CZ3 4.26Å; F523-W527 HydrophobicContact CG-CH2 4.02Å; F523-W527 AromaticContact CG-CZ3 3.7Å; F523-W527 HydrophobicContact CG-CZ3 3.7Å; W527-G529 VanDerWaalsContact C-N 3.31Å; W527-G529 PolarHBondContact O-N 3.46Å; W527-I530 HydrophobicContact CD2-CB 4.29Å; W527-I530 HydrophobicContact CH2-CB 4.45Å; W527-I530 HydrophobicContact CH2-CD1 3.79Å; W527-I530 HydrophobicContact CH2-CG1 4.07Å; W527-I530 HydrophobicContact CZ2-CB 3.97Å; W527-I530 HydrophobicContact CZ2-CD1 4.13Å; W527-I530 HydrophobicContact CZ2-CG1 3.89Å; W527-I530 HydrophobicContact CZ3-CD1 4.07Å; W527-I530 VanDerWaalsContact O-CG2 3.27Å; W527-I530 WeakPolarHBondContact O-CG2 3.5Å; W527-I530 PolarHBondContact O-N 3.19Å; W527-Y553 HydrophobicContact CH2-CD1 4.5Å
528	P	98.3	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.4	-172.1	-29.6	36.8	0	0	0	115	W81 G337 I530 R532	W81-P528 HydrophobicContact CD2-CG 3.52Å; W81-P528 HydrophobicContact CE3-CG 3.8Å; W81-P528 HydrophobicContact CG-CG 4Å; W81-P528 HydrophobicContact CH2-CG 4.13Å; W81-P528 VanDerWaalsContact CZ2-CD 3.5Å; W81-P528 HydrophobicContact CZ2-CG 3.85Å; W81-P528 HydrophobicContact CZ3-CG 4.09Å; G337-P528 CarbonylContact C-O 3.59Å; G337-P528 VanDerWaalsContact CA-O 3.25Å; G337-P528 WeakPolarHBondContact CA-O 3.32Å; G337-P528 CarbonylContact O-C 3.5Å; G337-P528 WeakPolarHBondContact O-CB 3.31Å; P528-I530 PolarHBondContact O-N 2.98Å; P528-R532 PolarHBondContact O-NH1 3.46Å; P528-R532 PolarHBondContact O-NH2 3.46Å
529	G	98.3	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0	-173.6	0	0	0	0	0	116.6	H333 T475 G476 W527	H333-G529 PolarHBondContact CE1-O 2.88Å; H333-G529 PolarHBondContact ND1-O 2.76Å; T475-G529 CarbonylContact C-O 3.51Å; T475-G529 CarbonylContact O-C 3.58Å; T475-G529 VanDerWaalsContact O-O 3.06Å; G476-G529 WeakPolarHBondContact CA-O 3.47Å; W527-G529 VanDerWaalsContact C-N 3.31Å; W527-G529 PolarHBondContact O-N 3.46Å
530	I	98.6	Very high	96.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-64.3	144.8	179.9	-164.4	174.8	0	0	0	111.4	F103 V112 P526 W527 P528 R532 Y553	F103-I530 HydrophobicContact CE1-CD1 4.45Å; F103-I530 HydrophobicContact CZ-CD1 3.81Å; V112-I530 HydrophobicContact CB-CG2 4.33Å; V112-I530 HydrophobicContact CG1-CG2 3.83Å; V112-I530 HydrophobicContact CG2-CG2 4.2Å; P526-I530 HydrophobicContact CB-CG2 4.06Å; W527-I530 HydrophobicContact CD2-CB 4.29Å; W527-I530 HydrophobicContact CH2-CB 4.45Å; W527-I530 HydrophobicContact CH2-CD1 3.79Å; W527-I530 HydrophobicContact CH2-CG1 4.07Å; W527-I530 HydrophobicContact CZ2-CB 3.97Å; W527-I530 HydrophobicContact CZ2-CD1 4.13Å; W527-I530 HydrophobicContact CZ2-CG1 3.89Å; W527-I530 HydrophobicContact CZ3-CD1 4.07Å; W527-I530 VanDerWaalsContact O-CG2 3.27Å; W527-I530 WeakPolarHBondContact O-CG2 3.5Å; W527-I530 PolarHBondContact O-N 3.19Å; P528-I530 PolarHBondContact O-N 2.98Å; I530-R532 PolarHBondContact O-NH1 3.41Å; I530-Y553 HydrophobicContact CD1-CD2 4.02Å; I530-Y553 HydrophobicContact CD1-CE2 4.44Å; I530-Y553 HydrophobicContact CD1-CG 4.33Å
531	M	98.3	Very high	96.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.153	C	C	.	.			trans	-56.8	155.2	173.8	65	168.4	175.3	0	0	111.7	V331 V332 H333 E474 F541 Y545 Y553	V331-M531 HydrophobicContact CG1-CB 3.57Å; V331-M531 HydrophobicContact CG1-CG 4.25Å; V331-M531 HydrophobicContact CG1-SD 3.85Å; V332-M531 WeakPolarHBondContact O-CA 3.33Å; V332-M531 WeakPolarHBondContact O-CB 3.49Å; H333-M531 PolarHBondContact CE1-N 2.8Å; E474-M531 HydrophobicContact CB-CE 3.71Å; E474-M531 HydrophobicContact CB-CG 4Å; E474-M531 HydrophobicContact CB-SD 3.61Å; E474-M531 HydrophobicContact CG-CE 3.62Å; E474-M531 HydrophobicContact CG-CG 4.39Å; E474-M531 HydrophobicContact CG-SD 3.37Å; E474-M531 WeakPolarHBondContact CG-SD 3.39Å; E474-M531 WeakPolarHBondContact O-CB 3.47Å; E474-M531 WeakPolarHBondContact O-CG 3.46Å; E474-M531 PolarHBondContact O-N 3.14Å; M531-F541 HydrophobicContact CE-CD2 3.53Å; M531-F541 HydrophobicContact CE-CE2 3.34Å; M531-F541 HydrophobicContact CG-CE2 3.91Å; M531-F541 HydrophobicContact SD-CD2 3.96Å; M531-F541 HydrophobicContact SD-CE2 3.87Å; M531-Y545 HydrophobicContact CE-CD1 3.79Å; M531-Y545 HydrophobicContact CE-CD2 3.27Å; M531-Y545 HydrophobicContact CE-CE1 3.75Å; M531-Y545 HydrophobicContact CE-CE2 3.28Å; M531-Y545 HydrophobicContact CE-CG 3.56Å; M531-Y545 HydrophobicContact SD-CE2 4.17Å; M531-Y553 HydrophobicContact CE-CE2 3.79Å
532	R	98.4	Very high	96.5	Very high	19 Å²	19	35.1 Å²	35.1	7%	0.072	16%	0.161	C	C	.	.			trans	-97.4	-31.4	179.5	-59.5	-49.1	-166.1	-111.6	-5.1	114	V112 E313 V332 T334 P528 I530 F541	V112-R532 WeakPolarHBondContact O-CD 3.5Å; E313-R532 IonicContact OE1-CZ 3.89Å; E313-R532 IonicContact OE1-NE 3.31Å; E313-R532 PolarHBondContact OE1-NE 2.88Å; E313-R532 IonicContact OE1-NH2 2.85Å; E313-R532 PolarHBondContact OE1-NH2 2.84Å; E313-R532 IonicContact OE2-CZ 2.71Å; E313-R532 IonicContact OE2-NE 2.73Å; E313-R532 PolarHBondContact OE2-NE 2.86Å; E313-R532 IonicContact OE2-NH2 3.7Å; V332-R532 PolarHBondContact O-N 2.94Å; T334-R532 HydrophobicContact CG2-CB 4.31Å; T334-R532 HydrophobicContact CG2-CG 3.52Å; T334-R532 PolarHBondContact OG1-NE 3.49Å; T334-R532 PolarHBondContact OG1-NH2 3.3Å; P528-R532 PolarHBondContact O-NH1 3.46Å; P528-R532 PolarHBondContact O-NH2 3.46Å; I530-R532 PolarHBondContact O-NH1 3.41Å; R532-F541 WeakPolarHBondContact O-CE1 3.33Å; R532-F541 WeakPolarHBondContact O-CZ 2.95Å
533	T	98.3	Very high	96.3	Very high	32 Å²	32	38 Å²	38	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	173.4	-177.7	-169.5	0	0	0	0	111.1	V332 H538	V332-T533 HydrophobicContact CB-CG2 3.82Å; V332-T533 HydrophobicContact CG1-CG2 4.39Å; V332-T533 HydrophobicContact CG2-CG2 3.76Å; V332-T533 PolarHBondContact N-O 3.01Å; T533-H538 PolarHBondContact OG1-ND1 3.44Å
534	V	96.2	Very high	95.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.8	154.3	177	0	0	0	0	107.8	K329 G330 E536 N537 F541 Y545	K329-V534 HydrophobicContact CB-CG1 4.36Å; G330-V534 CarbonylContact O-C 3.6Å; G330-V534 WeakPolarHBondContact O-CA 3.23Å; V534-E536 PolarHBondContact O-N 2.88Å; V534-N537 HydrophobicContact CG1-CB 4.14Å; V534-N537 CarbonylContact O-C 3.54Å; V534-N537 PolarHBondContact O-N 3.35Å; V534-N537 VanDerWaalsContact O-N 3.1Å; V534-F541 HydrophobicContact CB-CB 4.27Å; V534-F541 HydrophobicContact CG2-CB 4.03Å; V534-Y545 HydrophobicContact CG2-CE2 4.4Å
535	Y	96.1	Very high	95.8	Very high	34 Å²	34	37.9 Å²	37.9	13%	0.133	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	130.8	-176.3	-173.8	-104.9	0	0	0	111.1	R181 D224 I318 G330 V332 N537	R181-Y535 PolarHBondContact NE-OH 3.39Å; R181-Y535 VanDerWaalsContact NE-OH 3.11Å; D224-Y535 VanDerWaalsContact O-CE1 3.3Å; D224-Y535 WeakPolarHBondContact O-CE1 3.43Å; I318-Y535 HydrophobicContact CD1-CD1 4.08Å; I318-Y535 HydrophobicContact CD1-CD2 3.42Å; I318-Y535 VanDerWaalsContact CD1-CD2 3.42Å; I318-Y535 HydrophobicContact CD1-CE1 4.29Å; I318-Y535 HydrophobicContact CD1-CE2 3.67Å; I318-Y535 HydrophobicContact CD1-CG 3.65Å; I318-Y535 HydrophobicContact CG1-CD2 4.02Å; I318-Y535 HydrophobicContact CG1-CG 4.24Å; G330-Y535 PolarHBondContact O-N 3.15Å; V332-Y535 HydrophobicContact CG2-CD2 4.28Å; Y535-N537 PolarHBondContact O-N 3.21Å
536	E	93.4	Very high	95.9	Very high	152 Å²	152	34.1 Å²	34.1	71%	0.71	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	18.8	-176.8	-65.1	-61.6	141.1	0	0	115.1	V534	V534-E536 PolarHBondContact O-N 2.88Å
537	N	94	Very high	95.8	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	19%	0.191	S	C	.	.			trans	-152.6	61.2	-176.2	-159.6	-24.9	0	0	0	112.4	V534 Y535 E539 R540 F541	V534-N537 HydrophobicContact CG1-CB 4.14Å; V534-N537 CarbonylContact O-C 3.54Å; V534-N537 PolarHBondContact O-N 3.35Å; V534-N537 VanDerWaalsContact O-N 3.1Å; Y535-N537 PolarHBondContact O-N 3.21Å; N537-E539 PolarHBondContact O-N 3.27Å; N537-R540 HydrophobicContact CB-CB 4.25Å; N537-R540 VanDerWaalsContact CG-CB 3.44Å; N537-R540 PolarHBondContact O-N 2.91Å; N537-R540 WeakPolarHBondContact OD1-CB 3.36Å; N537-R540 PolarHBondContact OD1-N 3.14Å; N537-F541 PolarHBondContact O-N 3.08Å
538	H	96.1	Very high	95.6	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-32.2	178.1	-160.4	75.8	0	0	0	112.6	I110 T533 R540 F541 E542	I110-H538 PolarHBondContact O-CE1 2.79Å; I110-H538 PolarHBondContact O-NE2 3.09Å; T533-H538 PolarHBondContact OG1-ND1 3.44Å; H538-R540 VanDerWaalsContact C-N 3.32Å; H538-R540 PolarHBondContact O-N 3.19Å; H538-F541 AromaticContact CE1-CD1 3.44Å; H538-F541 VanDerWaalsContact CE1-CD1 3.44Å; H538-F541 WeakPolarHBondContact CE1-CD1 3.47Å; H538-F541 AromaticContact CE1-CE1 3.67Å; H538-F541 AromaticContact ND1-CD1 3.83Å; H538-F541 AromaticContact NE2-CD1 3.83Å; H538-F541 WeakPolarHBondContact O-CA 3.19Å; H538-F541 VanDerWaalsContact O-CB 3.24Å; H538-F541 WeakPolarHBondContact O-CB 3.33Å; H538-F541 PolarHBondContact O-N 3.24Å; H538-E542 IonicContact CD2-OE1 3.06Å; H538-E542 IonicContact NE2-OE1 3.6Å; H538-E542 PolarHBondContact O-N 3.44Å
539	E	94.8	Very high	95.6	Very high	134 Å²	134	45 Å²	45	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-61.4	-40.3	176.3	-159.7	-155.5	145.5	0	0	111.9	N537 F541 E542 N543	N537-E539 PolarHBondContact O-N 3.27Å; E539-F541 VanDerWaalsContact C-N 3.28Å; E539-F541 PolarHBondContact O-N 3.35Å; E539-E542 PolarHBondContact O-N 2.87Å; E539-N543 VanDerWaalsContact O-CB 3.27Å; E539-N543 WeakPolarHBondContact O-CB 3.09Å; E539-N543 VanDerWaalsContact O-CG 3.29Å; E539-N543 PolarHBondContact O-N 2.76Å; E539-N543 PolarHBondContact O-ND2 3.05Å; E539-N543 VanDerWaalsContact O-ND2 3.07Å; E539-N543 PolarHBondContact OE1-ND2 3.33Å; E539-N543 VanDerWaalsContact OE1-ND2 3.16Å
540	R	90.8	Very high	95.5	Very high	37 Å²	37	47.8 Å²	47.8	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-35	174	-174	176	-169.8	-168.5	1.2	111.4	T325 K327 P328 K329 N537 H538 T544	T325-R540 PolarHBondContact OG1-NH2 3.24Å; K327-R540 PolarHBondContact O-NH1 2.93Å; K327-R540 PolarHBondContact O-NH2 3.01Å; P328-R540 PolarHBondContact O-NH1 2.68Å; K329-R540 VanDerWaalsContact CG-NH1 3.34Å; K329-R540 VanDerWaalsContact CG-NH2 3.32Å; N537-R540 HydrophobicContact CB-CB 4.25Å; N537-R540 VanDerWaalsContact CG-CB 3.44Å; N537-R540 PolarHBondContact O-N 2.91Å; N537-R540 WeakPolarHBondContact OD1-CB 3.36Å; N537-R540 PolarHBondContact OD1-N 3.14Å; H538-R540 VanDerWaalsContact C-N 3.32Å; H538-R540 PolarHBondContact O-N 3.19Å; R540-T544 WeakPolarHBondContact O-CB 3.34Å; R540-T544 PolarHBondContact O-N 2.96Å; R540-T544 PolarHBondContact O-OG1 3.06Å
541	F	94.7	Very high	95.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-51.5	173.3	169.1	-104.8	0	0	0	111.1	I110 M531 R532 V534 N537 H538 E539 N543 T544 Y545 F546	I110-F541 HydrophobicContact CB-CE1 4.2Å; I110-F541 HydrophobicContact CG2-CD1 4.31Å; I110-F541 HydrophobicContact CG2-CE1 3.5Å; I110-F541 HydrophobicContact CG2-CZ 4.18Å; M531-F541 HydrophobicContact CE-CD2 3.53Å; M531-F541 HydrophobicContact CE-CE2 3.34Å; M531-F541 HydrophobicContact CG-CE2 3.91Å; M531-F541 HydrophobicContact SD-CD2 3.96Å; M531-F541 HydrophobicContact SD-CE2 3.87Å; R532-F541 WeakPolarHBondContact O-CE1 3.33Å; R532-F541 WeakPolarHBondContact O-CZ 2.95Å; V534-F541 HydrophobicContact CB-CB 4.27Å; V534-F541 HydrophobicContact CG2-CB 4.03Å; N537-F541 PolarHBondContact O-N 3.08Å; H538-F541 AromaticContact CE1-CD1 3.44Å; H538-F541 VanDerWaalsContact CE1-CD1 3.44Å; H538-F541 WeakPolarHBondContact CE1-CD1 3.47Å; H538-F541 AromaticContact CE1-CE1 3.67Å; H538-F541 AromaticContact ND1-CD1 3.83Å; H538-F541 AromaticContact NE2-CD1 3.83Å; H538-F541 WeakPolarHBondContact O-CA 3.19Å; H538-F541 VanDerWaalsContact O-CB 3.24Å; H538-F541 WeakPolarHBondContact O-CB 3.33Å; H538-F541 PolarHBondContact O-N 3.24Å; E539-F541 VanDerWaalsContact C-N 3.28Å; E539-F541 PolarHBondContact O-N 3.35Å; F541-N543 PolarHBondContact O-N 3.04Å; F541-T544 PolarHBondContact O-N 3.07Å; F541-Y545 AromaticContact CD2-CD2 3.84Å; F541-Y545 HydrophobicContact CD2-CD2 3.84Å; F541-Y545 HydrophobicContact CD2-CE2 4.25Å; F541-Y545 HydrophobicContact CE2-CD2 4.45Å; F541-Y545 HydrophobicContact CG-CD2 4.49Å; F541-Y545 WeakPolarHBondContact O-CD2 3.45Å; F541-Y545 PolarHBondContact O-N 3.08Å; F541-Y545 VanDerWaalsContact O-N 3.12Å; F541-F546 HydrophobicContact CD1-CE2 4.11Å; F541-F546 HydrophobicContact CD2-CE2 4.23Å; F541-F546 HydrophobicContact CE1-CD2 4.37Å; F541-F546 AromaticContact CE1-CE2 3.6Å; F541-F546 HydrophobicContact CE1-CE2 3.6Å; F541-F546 HydrophobicContact CE1-CZ 4.29Å; F541-F546 AromaticContact CE2-CE2 3.71Å; F541-F546 HydrophobicContact CE2-CE2 3.71Å; F541-F546 HydrophobicContact CE2-CZ 4.23Å; F541-F546 HydrophobicContact CG-CE2 4.41Å; F541-F546 HydrophobicContact CZ-CD2 4.49Å; F541-F546 AromaticContact CZ-CE2 3.37Å; F541-F546 HydrophobicContact CZ-CE2 3.37Å; F541-F546 AromaticContact CZ-CZ 3.77Å; F541-F546 HydrophobicContact CZ-CZ 3.77Å
542	E	96.3	Very high	95.5	Very high	36 Å²	36	50.2 Å²	50.2	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-50.2	177.1	-62.3	-169.4	160.6	0	0	112.5	V105 I110 H538 E539 T544 F546 K547	V105-E542 HydrophobicContact CG1-CB 4.4Å; I110-E542 HydrophobicContact CB-CG 3.88Å; I110-E542 HydrophobicContact CG1-CB 4.27Å; I110-E542 HydrophobicContact CG1-CG 3.69Å; I110-E542 PolarHBondContact N-OE1 2.69Å; H538-E542 IonicContact CD2-OE1 3.06Å; H538-E542 IonicContact NE2-OE1 3.6Å; H538-E542 PolarHBondContact O-N 3.44Å; E539-E542 PolarHBondContact O-N 2.87Å; E542-T544 VanDerWaalsContact C-N 3.32Å; E542-T544 PolarHBondContact O-N 3.2Å; E542-F546 PolarHBondContact O-N 2.77Å; E542-K547 PolarHBondContact O-N 3.31Å; E542-K547 VanDerWaalsContact O-N 3.11Å
543	N	93.3	Very high	95.5	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-38.2	-177.9	-77.7	-42.6	0	0	0	112.5	E539 F541 K547	E539-N543 VanDerWaalsContact O-CB 3.27Å; E539-N543 WeakPolarHBondContact O-CB 3.09Å; E539-N543 VanDerWaalsContact O-CG 3.29Å; E539-N543 PolarHBondContact O-N 2.76Å; E539-N543 PolarHBondContact O-ND2 3.05Å; E539-N543 VanDerWaalsContact O-ND2 3.07Å; E539-N543 PolarHBondContact OE1-ND2 3.33Å; E539-N543 VanDerWaalsContact OE1-ND2 3.16Å; F541-N543 PolarHBondContact O-N 3.04Å; N543-K547 WeakPolarHBondContact OD1-CD 3.33Å; N543-K547 PolarHBondContact OD1-NZ 3.28Å
544	T	90.3	Very high	95.4	Very high	60 Å²	60	48.2 Å²	48.2	37%	0.368	24%	0.238	S	C	.	.	H	α-helix	trans	-78.2	-41.8	-175.2	-56.8	0	0	0	0	111.9	R540 F541 E542	R540-T544 WeakPolarHBondContact O-CB 3.34Å; R540-T544 PolarHBondContact O-N 2.96Å; R540-T544 PolarHBondContact O-OG1 3.06Å; F541-T544 PolarHBondContact O-N 3.07Å; E542-T544 VanDerWaalsContact C-N 3.32Å; E542-T544 PolarHBondContact O-N 3.2Å
545	Y	95.5	Very high	95.3	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-111.7	-17.1	-164.2	-56.4	-77.5	0	0	0	114.5	K329 E474 M531 V534 F541 Y553 V554	K329-Y545 PolarHBondContact NZ-OH 3.38Å; E474-Y545 HydrophobicContact CG-CE1 3.79Å; E474-Y545 WeakPolarHBondContact CG-OH 3.21Å; E474-Y545 PolarHBondContact OE1-OH 3.46Å; M531-Y545 HydrophobicContact CE-CD1 3.79Å; M531-Y545 HydrophobicContact CE-CD2 3.27Å; M531-Y545 HydrophobicContact CE-CE1 3.75Å; M531-Y545 HydrophobicContact CE-CE2 3.28Å; M531-Y545 HydrophobicContact CE-CG 3.56Å; M531-Y545 HydrophobicContact SD-CE2 4.17Å; V534-Y545 HydrophobicContact CG2-CE2 4.4Å; F541-Y545 AromaticContact CD2-CD2 3.84Å; F541-Y545 HydrophobicContact CD2-CD2 3.84Å; F541-Y545 HydrophobicContact CD2-CE2 4.25Å; F541-Y545 HydrophobicContact CE2-CD2 4.45Å; F541-Y545 HydrophobicContact CG-CD2 4.49Å; F541-Y545 WeakPolarHBondContact O-CD2 3.45Å; F541-Y545 PolarHBondContact O-N 3.08Å; F541-Y545 VanDerWaalsContact O-N 3.12Å; Y545-Y553 AromaticContact CD1-CE2 3.61Å; Y545-Y553 HydrophobicContact CD1-CE2 3.61Å; Y545-Y553 AromaticContact CD1-CZ 3.91Å; Y545-Y553 HydrophobicContact CE1-CE2 4.42Å; Y545-Y553 HydrophobicContact CG-CD2 4.49Å; Y545-Y553 AromaticContact CG-CE2 3.89Å; Y545-Y553 HydrophobicContact CG-CE2 3.89Å; Y545-V554 WeakPolarHBondContact O-CB 3.37Å; Y545-V554 PolarHBondContact O-N 2.98Å
546	F	97.3	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-20.6	-171.6	-56.9	-82.3	0	0	0	114.2	F103 V105 I110 F541 E542 F549 Y553	F103-F546 HydrophobicContact CB-CD1 4.14Å; F103-F546 HydrophobicContact CB-CE1 4.3Å; F103-F546 HydrophobicContact CD1-CD1 4.05Å; F103-F546 AromaticContact CD1-CE1 3.39Å; F103-F546 HydrophobicContact CD1-CE1 3.39Å; F103-F546 HydrophobicContact CD1-CZ 4.17Å; F103-F546 HydrophobicContact CD2-CE1 4.2Å; F103-F546 AromaticContact CE1-CE1 3.56Å; F103-F546 HydrophobicContact CE1-CE1 3.56Å; F103-F546 HydrophobicContact CE1-CZ 4.02Å; F103-F546 HydrophobicContact CE2-CE1 4.34Å; F103-F546 HydrophobicContact CG-CD1 4.07Å; F103-F546 AromaticContact CG-CE1 3.73Å; F103-F546 HydrophobicContact CG-CE1 3.73Å; F103-F546 HydrophobicContact CZ-CE1 4.04Å; V105-F546 HydrophobicContact CG1-CB 3.89Å; I110-F546 HydrophobicContact CB-CD2 4.38Å; I110-F546 HydrophobicContact CD1-CB 4.02Å; I110-F546 HydrophobicContact CD1-CD1 4.48Å; I110-F546 HydrophobicContact CD1-CG 4.14Å; I110-F546 HydrophobicContact CG1-CB 4.03Å; I110-F546 HydrophobicContact CG1-CD2 4.07Å; I110-F546 HydrophobicContact CG1-CG 4Å; I110-F546 HydrophobicContact CG2-CD1 4.22Å; I110-F546 HydrophobicContact CG2-CD2 3.68Å; I110-F546 HydrophobicContact CG2-CE1 4.13Å; I110-F546 HydrophobicContact CG2-CE2 3.59Å; I110-F546 HydrophobicContact CG2-CG 3.99Å; I110-F546 HydrophobicContact CG2-CZ 3.81Å; F541-F546 HydrophobicContact CD1-CE2 4.11Å; F541-F546 HydrophobicContact CD2-CE2 4.23Å; F541-F546 HydrophobicContact CE1-CD2 4.37Å; F541-F546 AromaticContact CE1-CE2 3.6Å; F541-F546 HydrophobicContact CE1-CE2 3.6Å; F541-F546 HydrophobicContact CE1-CZ 4.29Å; F541-F546 AromaticContact CE2-CE2 3.71Å; F541-F546 HydrophobicContact CE2-CE2 3.71Å; F541-F546 HydrophobicContact CE2-CZ 4.23Å; F541-F546 HydrophobicContact CG-CE2 4.41Å; F541-F546 HydrophobicContact CZ-CD2 4.49Å; F541-F546 AromaticContact CZ-CE2 3.37Å; F541-F546 HydrophobicContact CZ-CE2 3.37Å; F541-F546 AromaticContact CZ-CZ 3.77Å; F541-F546 HydrophobicContact CZ-CZ 3.77Å; E542-F546 PolarHBondContact O-N 2.77Å; F546-F549 CarbonylContact O-C 3.6Å; F546-Y553 HydrophobicContact CE1-CD2 4.04Å; F546-Y553 AromaticContact CZ-CD2 3.82Å; F546-Y553 HydrophobicContact CZ-CD2 3.82Å
547	K	95.3	Very high	94.8	Very high	127 Å²	127	40.4 Å²	40.4	55%	0.552	21%	0.205	S	C	*	.	S	Bend	trans	-71.7	-34.7	-174.2	-170.7	169.7	-172.1	172.5	0	114.6	E542 N543	E542-K547 PolarHBondContact O-N 3.31Å; E542-K547 VanDerWaalsContact O-N 3.11Å; N543-K547 WeakPolarHBondContact OD1-CD 3.33Å; N543-K547 PolarHBondContact OD1-NZ 3.28Å
548	K	94.4	Very high	94.5	Very high	95 Å²	95	37.2 Å²	37.2	41%	0.413	19%	0.188	S	C	.	.	S	Bend	trans	-64.8	-43.2	-176.5	-176.1	173.6	-177.1	174.5	0	111.5	Y520 V554	Y520-K548 PolarHBondContact OH-NZ 3.48Å; K548-V554 HydrophobicContact CB-CG2 4.36Å
549	F	96.8	Very high	94.4	Very high	15 Å²	15	34.1 Å²	34.1	7%	0.066	17%	0.174	C	C	.	.	S	Bend	trans	-132.6	88.3	178.6	-58	-53.9	0	0	0	109.4	L506 Y520 V522 F546 G551 F552 V554	L506-F549 HydrophobicContact CD1-CB 3.86Å; L506-F549 HydrophobicContact CD1-CD1 4.13Å; L506-F549 HydrophobicContact CD1-CD2 3.75Å; L506-F549 HydrophobicContact CD1-CE2 4.29Å; L506-F549 HydrophobicContact CD1-CG 3.65Å; Y520-F549 HydrophobicContact CD1-CE2 4.04Å; Y520-F549 AromaticContact CD2-CE2 3.99Å; Y520-F549 HydrophobicContact CD2-CE2 3.99Å; Y520-F549 AromaticContact CD2-CZ 3.87Å; Y520-F549 HydrophobicContact CD2-CZ 3.87Å; Y520-F549 HydrophobicContact CE2-CZ 4.27Å; Y520-F549 AromaticContact CG-CE2 3.66Å; Y520-F549 HydrophobicContact CG-CE2 3.66Å; Y520-F549 HydrophobicContact CG-CZ 4.03Å; V522-F549 HydrophobicContact CG1-CD2 4.01Å; F546-F549 CarbonylContact O-C 3.6Å; F549-G551 PolarHBondContact O-N 3.3Å; F549-F552 HydrophobicContact CB-CB 4.38Å; F549-F552 HydrophobicContact CB-CD2 4.33Å; F549-F552 PolarHBondContact O-N 3.19Å; F549-F552 VanDerWaalsContact O-N 3.08Å; F549-V554 HydrophobicContact CB-CG2 4.22Å; F549-V554 HydrophobicContact CD2-CG2 3.78Å; F549-V554 HydrophobicContact CG-CG2 4.43Å
550	P	97.3	Very high	94.2	Very high	57 Å²	57	30 Å²	30	37%	0.37	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.4	-179	-26.3	34.8	0	0	0	112.3	D104 V105 T106	D104-P550 WeakPolarHBondContact OD1-CB 3.39Å; V105-P550 HydrophobicContact CG2-CB 4.19Å; V105-P550 HydrophobicContact CG2-CG 4.08Å; T106-P550 HydrophobicContact CG2-CB 4.16Å; T106-P550 HydrophobicContact CG2-CG 4.25Å
551	G	97.3	Very high	94.5	Very high	22 Å²	22	30.1 Å²	30.1	23%	0.227	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-4.8	-175.5	0	0	0	0	0	114.2	F103 F549	F103-G551 WeakPolarHBondContact O-CA 3.38Å; F103-G551 PolarHBondContact O-N 3.36Å; F549-G551 PolarHBondContact O-N 3.3Å
552	F	98.1	Very high	94.6	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.136	16%	0.158	C	C	.	.	S	Bend	trans	-126.9	148.9	177.4	-63.3	-89.2	0	0	0	111.7	T504 L506 V522 F523 R524 F549	T504-F552 HydrophobicContact CG2-CE1 4.19Å; L506-F552 HydrophobicContact CD1-CD2 4.08Å; L506-F552 HydrophobicContact CD1-CE2 4.24Å; L506-F552 HydrophobicContact CD1-CG 4.33Å; L506-F552 HydrophobicContact CD2-CZ 4.37Å; V522-F552 HydrophobicContact CB-CB 4.01Å; V522-F552 HydrophobicContact CB-CD1 4.28Å; V522-F552 HydrophobicContact CB-CG 4.42Å; V522-F552 HydrophobicContact CG2-CB 4.12Å; V522-F552 HydrophobicContact CG2-CD1 3.53Å; V522-F552 HydrophobicContact CG2-CE1 4.14Å; V522-F552 HydrophobicContact CG2-CG 3.97Å; F523-F552 WeakPolarHBondContact O-CA 3.34Å; R524-F552 HydrophobicContact CB-CD1 4.25Å; R524-F552 HydrophobicContact CB-CE1 4.09Å; R524-F552 HydrophobicContact CG-CD1 4.43Å; R524-F552 HydrophobicContact CG-CE1 3.97Å; F549-F552 HydrophobicContact CB-CB 4.38Å; F549-F552 HydrophobicContact CB-CD2 4.33Å; F549-F552 PolarHBondContact O-N 3.19Å; F549-F552 VanDerWaalsContact O-N 3.08Å
553	Y	98.2	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.1	161.9	171.3	-88.4	0	0	0	109.7	Q472 E474 V522 F523 W527 I530 M531 Y545 F546 T555	Q472-Y553 PolarHBondContact OE1-OH 2.96Å; E474-Y553 WeakPolarHBondContact CB-OH 3.38Å; V522-Y553 CarbonylContact C-O 3.46Å; V522-Y553 WeakPolarHBondContact CA-O 3.1Å; V522-Y553 WeakPolarHBondContact CB-O 3.14Å; F523-Y553 AromaticContact CD2-CD1 3.53Å; F523-Y553 HydrophobicContact CD2-CD1 3.53Å; F523-Y553 AromaticContact CD2-CE1 4Å; F523-Y553 HydrophobicContact CD2-CE1 4Å; F523-Y553 HydrophobicContact CE2-CD1 4.23Å; F523-Y553 HydrophobicContact CE2-CE1 4.25Å; F523-Y553 HydrophobicContact CG-CD1 4.47Å; F523-Y553 PolarHBondContact N-O 2.82Å; F523-Y553 PolarHBondContact O-N 2.86Å; W527-Y553 HydrophobicContact CH2-CD1 4.5Å; I530-Y553 HydrophobicContact CD1-CD2 4.02Å; I530-Y553 HydrophobicContact CD1-CE2 4.44Å; I530-Y553 HydrophobicContact CD1-CG 4.33Å; M531-Y553 HydrophobicContact CE-CE2 3.79Å; Y545-Y553 AromaticContact CD1-CE2 3.61Å; Y545-Y553 HydrophobicContact CD1-CE2 3.61Å; Y545-Y553 AromaticContact CD1-CZ 3.91Å; Y545-Y553 HydrophobicContact CE1-CE2 4.42Å; Y545-Y553 HydrophobicContact CG-CD2 4.49Å; Y545-Y553 AromaticContact CG-CE2 3.89Å; Y545-Y553 HydrophobicContact CG-CE2 3.89Å; F546-Y553 HydrophobicContact CE1-CD2 4.04Å; F546-Y553 AromaticContact CZ-CD2 3.82Å; F546-Y553 HydrophobicContact CZ-CD2 3.82Å; Y553-T555 HydrophobicContact CD1-CG2 4.14Å; Y553-T555 HydrophobicContact CE1-CG2 3.89Å
554	V	97.1	Very high	94.6	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.8	178.6	-175.6	0	0	0	0	109.9	V522 Y545 K548 F549 G556	V522-V554 HydrophobicContact CG1-CG2 4.24Å; Y545-V554 WeakPolarHBondContact O-CB 3.37Å; Y545-V554 PolarHBondContact O-N 2.98Å; K548-V554 HydrophobicContact CB-CG2 4.36Å; F549-V554 HydrophobicContact CB-CG2 4.22Å; F549-V554 HydrophobicContact CD2-CG2 3.78Å; F549-V554 HydrophobicContact CG-CG2 4.43Å; V554-G556 VanDerWaalsContact C-N 3.3Å; V554-G556 PolarHBondContact O-N 3.23Å
555	T	94.9	Very high	94.9	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-30.1	-178.5	64.6	0	0	0	0	112.4	Q472 L521 F523 Y553 D557 R572	Q472-T555 PolarHBondContact NE2-O 3.17Å; L521-T555 HydrophobicContact CB-CG2 4.48Å; L521-T555 HydrophobicContact CD2-CG2 4.27Å; L521-T555 HydrophobicContact CG-CG2 4.04Å; L521-T555 WeakPolarHBondContact O-CB 3.42Å; L521-T555 VanDerWaalsContact O-CG2 3.31Å; L521-T555 WeakPolarHBondContact O-CG2 3.22Å; L521-T555 PolarHBondContact O-N 2.97Å; L521-T555 PolarHBondContact O-OG1 2.82Å; F523-T555 HydrophobicContact CD2-CG2 3.91Å; F523-T555 HydrophobicContact CE2-CG2 3.44Å; F523-T555 VanDerWaalsContact CE2-CG2 3.44Å; F523-T555 HydrophobicContact CZ-CG2 3.95Å; Y553-T555 HydrophobicContact CD1-CG2 4.14Å; Y553-T555 HydrophobicContact CE1-CG2 3.89Å; T555-D557 VanDerWaalsContact C-N 3.26Å; T555-D557 PolarHBondContact OG1-N 2.93Å; T555-D557 PolarHBondContact OG1-O 2.96Å; T555-R572 PolarHBondContact O-NH1 3.14Å
556	G	90.4	Very high	95	Very high	8 Å²	8	35 Å²	35	8%	0.082	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.4	11.5	-166.6	0	0	0	0	0	113.5	V554 R572 I573	V554-G556 VanDerWaalsContact C-N 3.3Å; V554-G556 PolarHBondContact O-N 3.23Å; G556-R572 WeakPolarHBondContact O-CA 3.46Å; G556-R572 PolarHBondContact O-NE 3.03Å; G556-R572 PolarHBondContact O-NH1 3.37Å; G556-I573 WeakPolarHBondContact O-CG1 3.35Å; G556-I573 PolarHBondContact O-N 2.89Å
557	D	88.7	Confident	95	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.4	174.2	-71.3	-77.3	0	0	0	110.2	F470 Q472 L521 T555 I569 G571 R572 I573	F470-D557 HydrophobicContact CE2-CB 4.35Å; F470-D557 HydrophobicContact CZ-CB 4.06Å; Q472-D557 PolarHBondContact NE2-OD2 3.37Å; L521-D557 WeakPolarHBondContact CB-O 3.33Å; L521-D557 PolarHBondContact N-O 2.78Å; T555-D557 VanDerWaalsContact C-N 3.26Å; T555-D557 PolarHBondContact OG1-N 2.93Å; T555-D557 PolarHBondContact OG1-O 2.96Å; D557-I569 HydrophobicContact CB-CG2 4.49Å; D557-G571 WeakPolarHBondContact CA-O 3.36Å; D557-R572 WeakPolarHBondContact OD1-CD 3.4Å; D557-R572 IonicContact OD2-NH1 2.63Å; D557-R572 PolarHBondContact OD2-NH1 3.23Å; D557-I573 VanDerWaalsContact C-CG2 3.47Å
558	G	87.9	Confident	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.3	168.7	0	0	0	0	0	110.5	G519 T570 G571	G519-G558 CarbonylContact O-C 3.48Å; G519-G558 VanDerWaalsContact O-CA 3.26Å; G519-G558 WeakPolarHBondContact O-CA 3.12Å; G558-T570 PolarHBondContact O-N 3.19Å; G558-T570 PolarHBondContact O-OG1 2.89Å; G558-T570 VanDerWaalsContact O-OG1 3.1Å; G558-G571 PolarHBondContact N-O 3.17Å
559	A	92.1	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.1	174.3	0	0	0	0	0	111.9	I505 E518 G519 L521 F567 W568 I569	I505-A559 HydrophobicContact CD1-CB 4.45Å; E518-A559 WeakPolarHBondContact CA-O 3.18Å; G519-A559 PolarHBondContact N-O 3Å; G519-A559 VanDerWaalsContact N-O 3.07Å; G519-A559 PolarHBondContact O-N 3.08Å; L521-A559 HydrophobicContact CB-CB 3.86Å; L521-A559 HydrophobicContact CD1-CB 4.21Å; L521-A559 HydrophobicContact CD2-CB 4.27Å; L521-A559 HydrophobicContact CG-CB 4.34Å; A559-F567 HydrophobicContact CB-CD1 4.33Å; A559-W568 CarbonylContact C-O 3.56Å; A559-W568 WeakPolarHBondContact CA-O 3.44Å; A559-I569 HydrophobicContact CB-CD1 4.19Å
560	R	92.3	Very high	93.7	Very high	48 Å²	48	28.2 Å²	28.2	18%	0.181	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.3	166	-175.8	-174	74.9	165.2	4.4	109.4	V41 A517 E518 F567 W568 T570	V41-R560 VanDerWaalsContact CG2-NH1 3.3Å; A517-R560 CarbonylContact O-C 3.59Å; A517-R560 VanDerWaalsContact O-CA 3.22Å; A517-R560 WeakPolarHBondContact O-CA 3.41Å; A517-R560 WeakPolarHBondContact O-CG 3.47Å; E518-R560 HydrophobicContact CB-CB 4.5Å; E518-R560 HydrophobicContact CB-CG 4.42Å; E518-R560 HydrophobicContact CG-CB 4.43Å; R560-F567 CarbonylContact O-C 3.54Å; R560-F567 WeakPolarHBondContact O-CA 3.43Å; R560-W568 HydrophobicContact CB-CB 4.28Å; R560-W568 PolarHBondContact N-O 2.78Å; R560-W568 PolarHBondContact O-N 3.27Å; R560-T570 HydrophobicContact CB-CG2 4.27Å
561	R	97.3	Very high	92.4	Very high	40 Å²	40	26.2 Å²	26.2	15%	0.151	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.7	168.7	-175.3	175.1	63.2	-140	-7.5	108.6	I505 V513 G515 E516 A517 Y566 F567	I505-R561 HydrophobicContact CD1-CB 3.61Å; V513-R561 PolarHBondContact O-NH2 3.43Å; G515-R561 VanDerWaalsContact O-CZ 3.26Å; G515-R561 PolarHBondContact O-NE 3.1Å; G515-R561 PolarHBondContact O-NH2 3Å; E516-R561 WeakPolarHBondContact CA-O 3.16Å; A517-R561 HydrophobicContact CB-CB 4.48Å; A517-R561 PolarHBondContact N-O 3.07Å; A517-R561 PolarHBondContact O-N 2.87Å; R561-Y566 WeakPolarHBondContact CA-O 3.26Å; R561-F567 HydrophobicContact CB-CE1 4.32Å; R561-F567 HydrophobicContact CG-CE2 4.31Å; R561-F567 HydrophobicContact CG-CZ 4.32Å
562	D	94.8	Very high	91.4	Very high	21 Å²	21	28.8 Å²	28.8	11%	0.112	14%	0.142	C	C	.	.			trans	-84.4	178.2	178.8	72.4	21.2	0	0	0	112.9	K490 D564 G565 Y566 W568	K490-D562 IonicContact NZ-OD1 3.85Å; K490-D562 IonicContact NZ-OD2 3.31Å; K490-D562 PolarHBondContact NZ-OD2 2.8Å; D562-D564 PolarHBondContact O-N 2.83Å; D562-D564 VanDerWaalsContact O-N 3.17Å; D562-D564 WeakPolarHBondContact OD1-CA 3.47Å; D562-D564 PolarHBondContact OD1-N 3.31Å; D562-G565 PolarHBondContact O-N 2.64Å; D562-G565 PolarHBondContact OD1-N 2.85Å; D562-G565 VanDerWaalsContact OD1-N 3.14Å; D562-Y566 PolarHBondContact N-O 3.17Å; D562-Y566 PolarHBondContact OD1-N 2.92Å; D562-Y566 WeakPolarHBondContact OD2-CB 3.41Å; D562-W568 PolarHBondContact OD2-NE1 2.95Å
563	K	95.7	Very high	90.1	Very high	124 Å²	124	28.5 Å²	28.5	54%	0.539	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	-177.9	70.3	-170.3	-179.7	-162	0	113.9	E43 E516 G565	E43-K563 IonicContact OE1-NZ 3.03Å; E516-K563 HydrophobicContact CG-CB 3.86Å; K563-G565 VanDerWaalsContact C-N 3.35Å
564	D	95	Very high	88.5	Confident	86 Å²	86	32.3 Å²	32.3	46%	0.46	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.4	179.1	-53.2	-47.2	0	0	0	111.6	K490 D562 Y566	K490-D564 IonicContact NZ-OD2 2.98Å; K490-D564 PolarHBondContact NZ-OD2 2.85Å; D562-D564 PolarHBondContact O-N 2.83Å; D562-D564 VanDerWaalsContact O-N 3.17Å; D562-D564 WeakPolarHBondContact OD1-CA 3.47Å; D562-D564 PolarHBondContact OD1-N 3.31Å; D564-Y566 HydrophobicContact CB-CD2 3.76Å; D564-Y566 HydrophobicContact CB-CE2 3.96Å
565	G	96.1	Very high	86.8	Confident	22 Å²	22	33 Å²	33	23%	0.227	17%	0.166	C	C	.	.			trans	85	8.2	178.7	0	0	0	0	0	115.1	D562 K563	D562-G565 PolarHBondContact O-N 2.64Å; D562-G565 PolarHBondContact OD1-N 2.85Å; D562-G565 VanDerWaalsContact OD1-N 3.14Å; K563-G565 VanDerWaalsContact C-N 3.35Å
566	Y	97.6	Very high	85.2	Confident	12 Å²	12	33.8 Å²	33.8	5%	0.047	17%	0.169	C	C	.	.			trans	-75.8	135.6	179.4	-75.1	-115.2	0	0	0	110.7	P488 K490 T495 F496 R561 D562 D564	P488-Y566 VanDerWaalsContact O-CE1 3.24Å; P488-Y566 WeakPolarHBondContact O-CE1 3.47Å; P488-Y566 PolarHBondContact O-OH 3.21Å; K490-Y566 HydrophobicContact CB-CD1 4.27Å; K490-Y566 HydrophobicContact CB-CE1 4.46Å; K490-Y566 HydrophobicContact CD-CD1 3.79Å; K490-Y566 HydrophobicContact CD-CD2 4.18Å; K490-Y566 HydrophobicContact CD-CE1 4.12Å; K490-Y566 HydrophobicContact CD-CE2 4.45Å; K490-Y566 HydrophobicContact CD-CG 3.86Å; K490-Y566 HydrophobicContact CG-CD1 3.94Å; K490-Y566 HydrophobicContact CG-CE1 3.9Å; K490-Y566 HydrophobicContact CG-CG 4.5Å; T495-Y566 HydrophobicContact CG2-CD1 3.73Å; T495-Y566 HydrophobicContact CG2-CE1 3.69Å; F496-Y566 HydrophobicContact CE1-CD2 4.18Å; F496-Y566 HydrophobicContact CE1-CE2 4.25Å; F496-Y566 HydrophobicContact CE2-CD1 4.41Å; F496-Y566 HydrophobicContact CE2-CD2 4.23Å; F496-Y566 AromaticContact CE2-CE1 3.89Å; F496-Y566 HydrophobicContact CE2-CE1 3.89Å; F496-Y566 AromaticContact CE2-CE2 3.73Å; F496-Y566 HydrophobicContact CE2-CE2 3.73Å; F496-Y566 AromaticContact CE2-CZ 3.5Å; F496-Y566 AromaticContact CZ-CD2 3.64Å; F496-Y566 HydrophobicContact CZ-CD2 3.64Å; F496-Y566 HydrophobicContact CZ-CE1 4.27Å; F496-Y566 AromaticContact CZ-CE2 3.3Å; F496-Y566 HydrophobicContact CZ-CE2 3.3Å; F496-Y566 HydrophobicContact CZ-CG 4.26Å; F496-Y566 AromaticContact CZ-CZ 3.63Å; R561-Y566 WeakPolarHBondContact CA-O 3.26Å; D562-Y566 PolarHBondContact N-O 3.17Å; D562-Y566 PolarHBondContact OD1-N 2.92Å; D562-Y566 WeakPolarHBondContact OD2-CB 3.41Å; D564-Y566 HydrophobicContact CB-CD2 3.76Å; D564-Y566 HydrophobicContact CB-CE2 3.96Å
567	F	97.4	Very high	84.2	Confident	9 Å²	9	33.4 Å²	33.4	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	175.5	-74.2	-97.8	0	0	0	111.8	L480 S493 A494 T495 P503 I505 L521 A559 R560 R561	L480-F567 HydrophobicContact CD1-CB 3.91Å; L480-F567 HydrophobicContact CD1-CD1 4.29Å; L480-F567 HydrophobicContact CD1-CG 4.14Å; L480-F567 HydrophobicContact CD2-CD2 4.38Å; L480-F567 HydrophobicContact CD2-CG 4.39Å; S493-F567 PolarHBondContact OG-O 3.35Å; A494-F567 PolarHBondContact N-O 3.4Å; A494-F567 VanDerWaalsContact N-O 3.1Å; T495-F567 PolarHBondContact O-N 3.44Å; P503-F567 HydrophobicContact CB-CE1 4.03Å; P503-F567 HydrophobicContact CB-CZ 3.85Å; P503-F567 HydrophobicContact CG-CE1 4.33Å; P503-F567 HydrophobicContact CG-CE2 3.94Å; P503-F567 HydrophobicContact CG-CZ 3.67Å; I505-F567 HydrophobicContact CD1-CD1 4.46Å; I505-F567 HydrophobicContact CD1-CE1 4.1Å; I505-F567 HydrophobicContact CG1-CE1 4.16Å; L521-F567 HydrophobicContact CD1-CD1 4.29Å; L521-F567 HydrophobicContact CD1-CE1 4.17Å; A559-F567 HydrophobicContact CB-CD1 4.33Å; R560-F567 CarbonylContact O-C 3.54Å; R560-F567 WeakPolarHBondContact O-CA 3.43Å; R561-F567 HydrophobicContact CB-CE1 4.32Å; R561-F567 HydrophobicContact CG-CE2 4.31Å; R561-F567 HydrophobicContact CG-CZ 4.32Å
568	W	92.8	Very high	82.8	Confident	36 Å²	36	36.2 Å²	36.2	14%	0.136	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.6	175.3	-60.7	79.5	0	0	0	108	K490 P491 G492 A559 R560 D562 T570	K490-W568 HydrophobicContact CB-CH2 4.1Å; K490-W568 HydrophobicContact CB-CZ2 3.94Å; K490-W568 HydrophobicContact CD-CZ2 4.06Å; P491-W568 WeakPolarHBondContact O-CH2 3.26Å; P491-W568 WeakPolarHBondContact O-CZ3 3.46Å; G492-W568 VanDerWaalsContact C-CZ3 3.46Å; A559-W568 CarbonylContact C-O 3.56Å; A559-W568 WeakPolarHBondContact CA-O 3.44Å; R560-W568 HydrophobicContact CB-CB 4.28Å; R560-W568 PolarHBondContact N-O 2.78Å; R560-W568 PolarHBondContact O-N 3.27Å; D562-W568 PolarHBondContact OD2-NE1 2.95Å; W568-T570 PolarHBondContact O-N 2.89Å
569	I	88	Confident	81.6	Confident	30 Å²	30	36.3 Å²	36.3	15%	0.154	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.9	-179.8	-52.6	-58.8	0	0	0	108.5	F470 L480 A494 L521 D557 A559 G571	F470-I569 HydrophobicContact CB-CD1 4.41Å; F470-I569 HydrophobicContact CB-CG1 3.96Å; F470-I569 HydrophobicContact CD1-CD1 3.83Å; F470-I569 HydrophobicContact CD1-CG1 4.23Å; F470-I569 HydrophobicContact CD2-CB 4.26Å; F470-I569 HydrophobicContact CD2-CD1 3.93Å; F470-I569 HydrophobicContact CD2-CG1 3.56Å; F470-I569 HydrophobicContact CD2-CG2 3.93Å; F470-I569 HydrophobicContact CE1-CD1 4.02Å; F470-I569 HydrophobicContact CE2-CD1 4.1Å; F470-I569 HydrophobicContact CE2-CG1 4.07Å; F470-I569 HydrophobicContact CE2-CG2 3.75Å; F470-I569 HydrophobicContact CG-CD1 3.77Å; F470-I569 HydrophobicContact CG-CG1 3.62Å; F470-I569 HydrophobicContact CZ-CD1 4.14Å; L480-I569 HydrophobicContact CD1-CD1 3.88Å; A494-I569 HydrophobicContact CB-CG1 4.45Å; L521-I569 HydrophobicContact CD2-CD1 3.85Å; D557-I569 HydrophobicContact CB-CG2 4.49Å; A559-I569 HydrophobicContact CB-CD1 4.19Å; I569-G571 VanDerWaalsContact C-N 3.29Å; I569-G571 PolarHBondContact O-N 3.06Å
570	T	78.1	Confident	79.8	Confident	21 Å²	21	39.1 Å²	39.1	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	1.8	-174	57.5	0	0	0	0	112.6	G558 R560 W568 M576 S585 A587	G558-T570 PolarHBondContact O-N 3.19Å; G558-T570 PolarHBondContact O-OG1 2.89Å; G558-T570 VanDerWaalsContact O-OG1 3.1Å; R560-T570 HydrophobicContact CB-CG2 4.27Å; W568-T570 PolarHBondContact O-N 2.89Å; T570-M576 WeakPolarHBondContact OG1-CE 3.4Å; T570-S585 PolarHBondContact O-OG 2.68Å; T570-A587 WeakPolarHBondContact O-CB 3.32Å
571	G	70.9	Confident	77.4	Confident	15 Å²	15	39.9 Å²	39.9	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-174.6	179.6	0	0	0	0	0	113.7	D557 G558 I569	D557-G571 WeakPolarHBondContact CA-O 3.36Å; G558-G571 PolarHBondContact N-O 3.17Å; I569-G571 VanDerWaalsContact C-N 3.29Å; I569-G571 PolarHBondContact O-N 3.06Å
572	R	75.1	Confident	75.1	Confident	76 Å²	76	42.6 Å²	42.6	29%	0.287	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.8	-178.3	-65.7	-68.2	-67.6	172.3	5.6	110.9	T555 G556 D557 D574 D575 M576	T555-R572 PolarHBondContact O-NH1 3.14Å; G556-R572 WeakPolarHBondContact O-CA 3.46Å; G556-R572 PolarHBondContact O-NE 3.03Å; G556-R572 PolarHBondContact O-NH1 3.37Å; D557-R572 WeakPolarHBondContact OD1-CD 3.4Å; D557-R572 IonicContact OD2-NH1 2.63Å; D557-R572 PolarHBondContact OD2-NH1 3.23Å; R572-D574 IonicContact NH2-OD2 2.6Å; R572-D574 PolarHBondContact O-N 2.89Å; R572-D575 HydrophobicContact CB-CB 4.2Å; R572-D575 CarbonylContact O-C 3.58Å; R572-D575 VanDerWaalsContact O-CA 3.32Å; R572-D575 WeakPolarHBondContact O-CA 3.31Å; R572-D575 WeakPolarHBondContact O-CB 3.47Å; R572-D575 PolarHBondContact O-N 3.24Å; R572-M576 PolarHBondContact O-N 3.23Å; R572-M576 VanDerWaalsContact O-N 3.11Å
573	I	72.3	Confident	73.1	Confident	24 Å²	24	45.1 Å²	45.1	12%	0.123	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.7	173.5	67.9	-177.1	0	0	0	111.9	Y520 G556 D557 D575 M576	Y520-I573 HydrophobicContact CD1-CB 4.31Å; Y520-I573 HydrophobicContact CD1-CD1 3.82Å; Y520-I573 HydrophobicContact CD1-CG2 3.7Å; Y520-I573 HydrophobicContact CE1-CB 3.85Å; Y520-I573 HydrophobicContact CE1-CD1 3.59Å; Y520-I573 HydrophobicContact CE1-CG1 4.24Å; Y520-I573 HydrophobicContact CE1-CG2 3.7Å; G556-I573 WeakPolarHBondContact O-CG1 3.35Å; G556-I573 PolarHBondContact O-N 2.89Å; D557-I573 VanDerWaalsContact C-CG2 3.47Å; I573-D575 PolarHBondContact O-N 3.49Å; I573-M576 HydrophobicContact CB-SD 4.44Å; I573-M576 HydrophobicContact CG2-SD 4.11Å; I573-M576 WeakPolarHBondContact O-CB 3.47Å; I573-M576 PolarHBondContact O-N 3.06Å
574	D	63.6	Low	71.5	Confident	80 Å²	80	39.7 Å²	39.7	43%	0.428	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-65.5	-19.6	174	-56.6	-36.5	0	0	0	111.5	R572 R673	R572-D574 IonicContact NH2-OD2 2.6Å; R572-D574 PolarHBondContact O-N 2.89Å; D574-R673 PolarHBondContact O-NH1 3.03Å; D574-R673 PolarHBondContact O-NH2 3.12Å
575	D	61.1	Low	70.3	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.128	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-101.3	2.6	172.8	-67	-46.8	0	0	0	111.9	R572 I573 T586 R673	R572-D575 HydrophobicContact CB-CB 4.2Å; R572-D575 CarbonylContact O-C 3.58Å; R572-D575 VanDerWaalsContact O-CA 3.32Å; R572-D575 WeakPolarHBondContact O-CA 3.31Å; R572-D575 WeakPolarHBondContact O-CB 3.47Å; R572-D575 PolarHBondContact O-N 3.24Å; I573-D575 PolarHBondContact O-N 3.49Å; D575-T586 WeakPolarHBondContact O-CB 3.33Å; D575-T586 WeakPolarHBondContact O-CG2 3.44Å; D575-T586 PolarHBondContact O-OG1 2.98Å; D575-R673 IonicContact OD1-CZ 3.87Å; D575-R673 IonicContact OD1-NH2 2.68Å; D575-R673 PolarHBondContact OD1-NH2 3.44Å
576	M	62.4	Low	69.5	Low	18 Å²	18	35 Å²	35	9%	0.089	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.6	163.5	-69.5	179.7	162.4	0	0	108.6	T570 R572 I573 L583 M584	T570-M576 WeakPolarHBondContact OG1-CE 3.4Å; R572-M576 PolarHBondContact O-N 3.23Å; R572-M576 VanDerWaalsContact O-N 3.11Å; I573-M576 HydrophobicContact CB-SD 4.44Å; I573-M576 HydrophobicContact CG2-SD 4.11Å; I573-M576 WeakPolarHBondContact O-CB 3.47Å; I573-M576 PolarHBondContact O-N 3.06Å; M576-L583 HydrophobicContact CB-CD1 4.07Å; M576-L583 HydrophobicContact CB-CG 4.36Å; M576-L583 HydrophobicContact SD-CD2 3.92Å; M576-L583 HydrophobicContact SD-CG 4.31Å; M576-M584 WeakPolarHBondContact CA-O 3.46Å
577	L	68.3	Low	68.1	Low	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.6	-179.2	62.6	146.7	0	0	0	111.5	V579 M584 T586 E614 L616	L577-V579 HydrophobicContact CD1-CG2 3.33Å; L577-V579 HydrophobicContact CG-CG2 4.03Å; L577-M584 PolarHBondContact N-O 2.95Å; L577-M584 PolarHBondContact O-N 3.09Å; L577-T586 HydrophobicContact CD2-CG2 3.51Å; L577-E614 VanDerWaalsContact CA-OE2 3.27Å; L577-E614 WeakPolarHBondContact CA-OE2 3.22Å; L577-E614 HydrophobicContact CB-CB 4.3Å; L577-E614 WeakPolarHBondContact CB-OE2 3.27Å; L577-E614 HydrophobicContact CD1-CB 4.36Å; L577-L616 HydrophobicContact CD1-CD2 3.6Å; L577-L616 HydrophobicContact CD1-CG 3.96Å; L577-L616 HydrophobicContact CD2-CD2 3.68Å; L577-L616 HydrophobicContact CG-CD2 4.15Å
578	N	60.8	Low	66.6	Low	74 Å²	74	37 Å²	37	40%	0.396	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	104.7	176.3	-171	-34.2	0	0	0	109.9	G581 H582 E614	N578-G581 VanDerWaalsContact OD1-C 3.24Å; N578-G581 WeakPolarHBondContact OD1-CA 3.32Å; N578-G581 PolarHBondContact OD1-N 3.16Å; N578-H582 WeakPolarHBondContact CA-O 3.38Å; N578-H582 PolarHBondContact OD1-N 2.8Å; N578-E614 PolarHBondContact N-OE2 3.45Å; N578-E614 WeakPolarHBondContact O-CB 3.34Å; N578-E614 PolarHBondContact O-N 3.41Å
579	V	62.5	Low	66	Low	2 Å²	2	35.3 Å²	35.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	106.5	176.5	-174.9	0	0	0	0	108.8	L577 G581 H582 M584 K612 I647	L577-V579 HydrophobicContact CD1-CG2 3.33Å; L577-V579 HydrophobicContact CG-CG2 4.03Å; V579-G581 VanDerWaalsContact C-N 3.31Å; V579-G581 PolarHBondContact O-N 2.85Å; V579-H582 PolarHBondContact N-O 3.23Å; V579-H582 WeakPolarHBondContact O-CB 3.28Å; V579-H582 PolarHBondContact O-N 3.34Å; V579-H582 VanDerWaalsContact O-N 3.11Å; V579-H582 PolarHBondContact O-ND1 2.79Å; V579-M584 HydrophobicContact CB-CE 3.54Å; V579-M584 HydrophobicContact CG1-CE 4.16Å; V579-M584 HydrophobicContact CG2-CE 3.29Å; V579-K612 HydrophobicContact CG1-CB 4.18Å; V579-K612 HydrophobicContact CG1-CD 3.83Å; V579-K612 HydrophobicContact CG1-CG 4.49Å; V579-I647 HydrophobicContact CG1-CD1 4.43Å
580	S	53.5	Low	65.8	Low	59 Å²	59	34.9 Å²	34.9	41%	0.413	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	43.5	179.1	-54.1	0	0	0	0	113.5	H582 K612	S580-H582 PolarHBondContact O-ND1 2.86Å; S580-K612 PolarHBondContact N-O 2.79Å; S580-K612 WeakPolarHBondContact OG-CB 3.49Å; S580-K612 WeakPolarHBondContact OG-CG 3.43Å
581	G	42	Very low	65.5	Low	63 Å²	63	36.4 Å²	36.4	65%	0.649	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-2.6	-179.8	0	0	0	0	0	115	N578 V579	N578-G581 VanDerWaalsContact OD1-C 3.24Å; N578-G581 WeakPolarHBondContact OD1-CA 3.32Å; N578-G581 PolarHBondContact OD1-N 3.16Å; V579-G581 VanDerWaalsContact C-N 3.31Å; V579-G581 PolarHBondContact O-N 2.85Å
582	H	48	Very low	65.8	Low	98 Å²	98	36 Å²	36	45%	0.454	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.4	-178.9	-57.7	72.7	0	0	0	109.8	N578 V579 S580 M584 I647	N578-H582 WeakPolarHBondContact CA-O 3.38Å; N578-H582 PolarHBondContact OD1-N 2.8Å; V579-H582 PolarHBondContact N-O 3.23Å; V579-H582 WeakPolarHBondContact O-CB 3.28Å; V579-H582 PolarHBondContact O-N 3.34Å; V579-H582 VanDerWaalsContact O-N 3.11Å; V579-H582 PolarHBondContact O-ND1 2.79Å; S580-H582 PolarHBondContact O-ND1 2.86Å; H582-M584 PolarHBondContact O-N 3.13Å; H582-I647 HydrophobicContact CB-CG1 4.15Å
583	L	52.9	Low	66.4	Low	74 Å²	74	32.3 Å²	32.3	39%	0.387	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	124.5	172	-164.3	70.8	0	0	0	108.4	M576	M576-L583 HydrophobicContact CB-CD1 4.07Å; M576-L583 HydrophobicContact CB-CG 4.36Å; M576-L583 HydrophobicContact SD-CD2 3.92Å; M576-L583 HydrophobicContact SD-CG 4.31Å
584	M	63.5	Low	67.1	Low	9 Å²	9	33.9 Å²	33.9	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.1	179.8	-72.6	-162.6	-56.7	0	0	111.1	M576 L577 V579 H582 L616 I647 A648	M576-M584 WeakPolarHBondContact CA-O 3.46Å; L577-M584 PolarHBondContact N-O 2.95Å; L577-M584 PolarHBondContact O-N 3.09Å; V579-M584 HydrophobicContact CB-CE 3.54Å; V579-M584 HydrophobicContact CG1-CE 4.16Å; V579-M584 HydrophobicContact CG2-CE 3.29Å; H582-M584 PolarHBondContact O-N 3.13Å; M584-L616 HydrophobicContact CE-CD1 3.66Å; M584-L616 HydrophobicContact CE-CD2 4.36Å; M584-L616 HydrophobicContact CE-CG 4.02Å; M584-I647 HydrophobicContact SD-CG2 4.16Å; M584-A648 HydrophobicContact CE-CB 4.46Å; M584-A648 HydrophobicContact SD-CB 3.64Å
585	S	69.9	Low	67.9	Low	6 Å²	6	35.2 Å²	35.2	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.5	171.2	172.8	0	0	0	0	110.5	T570 A587 E588	T570-S585 PolarHBondContact O-OG 2.68Å; S585-A587 PolarHBondContact O-N 2.99Å; S585-A587 WeakPolarHBondContact OG-CB 3.36Å; S585-A587 PolarHBondContact OG-N 2.84Å; S585-E588 PolarHBondContact O-N 3.49Å; S585-E588 PolarHBondContact OG-N 2.76Å
586	T	78.1	Confident	69.2	Low	4 Å²	4	35.8 Å²	35.8	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-35.1	167.7	42.4	0	0	0	0	112	D575 L577 E588 V589 E590 V604	D575-T586 WeakPolarHBondContact O-CB 3.33Å; D575-T586 WeakPolarHBondContact O-CG2 3.44Å; D575-T586 PolarHBondContact O-OG1 2.98Å; L577-T586 HydrophobicContact CD2-CG2 3.51Å; T586-E588 VanDerWaalsContact C-N 3.31Å; T586-E588 PolarHBondContact O-N 3.11Å; T586-V589 PolarHBondContact O-N 2.91Å; T586-E590 VanDerWaalsContact O-CG 3.25Å; T586-E590 WeakPolarHBondContact O-CG 3.39Å; T586-E590 PolarHBondContact O-N 3.32Å; T586-V604 WeakPolarHBondContact CB-O 3.39Å; T586-V604 HydrophobicContact CG2-CB 4.05Å; T586-V604 HydrophobicContact CG2-CG1 3.97Å; T586-V604 WeakPolarHBondContact CG2-O 3.36Å
587	A	68.5	Low	70.5	Confident	29 Å²	29	38.9 Å²	38.9	24%	0.24	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-34.6	-179.5	0	0	0	0	0	112.4	T570 S585 E590 A591	T570-A587 WeakPolarHBondContact O-CB 3.32Å; S585-A587 PolarHBondContact O-N 2.99Å; S585-A587 WeakPolarHBondContact OG-CB 3.36Å; S585-A587 PolarHBondContact OG-N 2.84Å; A587-E590 PolarHBondContact O-N 2.63Å; A587-A591 WeakPolarHBondContact O-CB 3.45Å; A587-A591 PolarHBondContact O-N 2.91Å
588	E	66.9	Low	71.5	Confident	35 Å²	35	38.9 Å²	38.9	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-45.6	175.5	-168.6	-169.6	-172.3	0	0	111.1	M39 S585 T586 E590 A591 A592 I644	M39-E588 HydrophobicContact CE-CG 4.4Å; M39-E588 WeakPolarHBondContact CE-OE1 3.39Å; M39-E588 WeakPolarHBondContact CG-OE1 3.42Å; S585-E588 PolarHBondContact O-N 3.49Å; S585-E588 PolarHBondContact OG-N 2.76Å; T586-E588 VanDerWaalsContact C-N 3.31Å; T586-E588 PolarHBondContact O-N 3.11Å; E588-E590 VanDerWaalsContact C-N 3.35Å; E588-A591 PolarHBondContact O-N 2.92Å; E588-A592 PolarHBondContact O-N 2.83Å; E588-I644 HydrophobicContact CB-CD1 4.36Å; E588-I644 HydrophobicContact CG-CD1 3.74Å; E588-I644 HydrophobicContact CG-CG1 4.16Å
589	V	79.4	Confident	72.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-39.1	177.6	-176.6	0	0	0	0	111	T586 A592 L593 V604 L616 V640 I644 P650	T586-V589 PolarHBondContact O-N 2.91Å; V589-A592 PolarHBondContact O-N 2.63Å; V589-L593 HydrophobicContact CG1-CD1 4.19Å; V589-L593 VanDerWaalsContact O-CG 3.27Å; V589-L593 WeakPolarHBondContact O-CG 3.48Å; V589-L593 PolarHBondContact O-N 2.68Å; V589-V604 HydrophobicContact CB-CG1 4.3Å; V589-V604 HydrophobicContact CB-CG2 4.07Å; V589-V604 HydrophobicContact CG1-CG1 4.21Å; V589-V604 HydrophobicContact CG1-CG2 3.83Å; V589-L616 HydrophobicContact CG1-CD1 4.4Å; V589-L616 HydrophobicContact CG2-CD1 3.93Å; V589-L616 HydrophobicContact CG2-CD2 3.99Å; V589-V640 HydrophobicContact CG1-CG1 4.09Å; V589-V640 HydrophobicContact CG1-CG2 4.36Å; V589-I644 HydrophobicContact CB-CD1 4.37Å; V589-I644 HydrophobicContact CG2-CD1 3.91Å; V589-P650 HydrophobicContact CG1-CG 4.48Å
590	E	84.9	Confident	74.1	Confident	21 Å²	21	37.6 Å²	37.6	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-47.4	173.4	-71	169.5	-176.7	0	0	111.4	T586 A587 E588 A592 L593 T594 A603 V604 R669	T586-E590 VanDerWaalsContact O-CG 3.25Å; T586-E590 WeakPolarHBondContact O-CG 3.39Å; T586-E590 PolarHBondContact O-N 3.32Å; A587-E590 PolarHBondContact O-N 2.63Å; E588-E590 VanDerWaalsContact C-N 3.35Å; E590-A592 VanDerWaalsContact C-N 3.35Å; E590-A592 PolarHBondContact O-N 2.6Å; E590-L593 PolarHBondContact O-N 3.25Å; E590-T594 WeakPolarHBondContact O-CG2 3.42Å; E590-T594 PolarHBondContact O-N 2.8Å; E590-T594 PolarHBondContact O-OG1 2.82Å; E590-A603 WeakPolarHBondContact OE1-CA 2.98Å; E590-V604 HydrophobicContact CB-CG2 4.49Å; E590-V604 HydrophobicContact CG-CB 3.93Å; E590-V604 HydrophobicContact CG-CG2 3.51Å; E590-V604 PolarHBondContact OE1-N 3.01Å; E590-R669 IonicContact OE1-CZ 3.11Å; E590-R669 IonicContact OE1-NE 3.38Å; E590-R669 PolarHBondContact OE1-NE 2.86Å; E590-R669 IonicContact OE1-NH2 3.7Å; E590-R669 PolarHBondContact OE1-NH2 3.16Å; E590-R669 IonicContact OE2-CZ 3.44Å; E590-R669 IonicContact OE2-NH2 2.66Å; E590-R669 PolarHBondContact OE2-NH2 3.18Å
591	A	71.6	Confident	75.8	Confident	53 Å²	53	36.6 Å²	36.6	44%	0.438	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-40.9	177.8	0	0	0	0	0	112	A587 E588 L593 T594 L595	A587-A591 WeakPolarHBondContact O-CB 3.45Å; A587-A591 PolarHBondContact O-N 2.91Å; E588-A591 PolarHBondContact O-N 2.92Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.2Å; A591-T594 PolarHBondContact O-N 2.72Å; A591-T594 PolarHBondContact O-OG1 2.91Å; A591-L595 WeakPolarHBondContact O-CG 3.25Å; A591-L595 PolarHBondContact O-N 2.95Å
592	A	76.7	Confident	78.1	Confident	5 Å²	5	33.9 Å²	33.9	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-39.8	175.4	0	0	0	0	0	112.2	E588 V589 E590 L639 V640 K643 I644	E588-A592 PolarHBondContact O-N 2.83Å; V589-A592 PolarHBondContact O-N 2.63Å; E590-A592 VanDerWaalsContact C-N 3.35Å; E590-A592 PolarHBondContact O-N 2.6Å; A592-L639 VanDerWaalsContact O-CD2 3.24Å; A592-L639 WeakPolarHBondContact O-CD2 3.45Å; A592-V640 HydrophobicContact CB-CG2 4.3Å; A592-K643 HydrophobicContact CB-CB 4.06Å; A592-I644 HydrophobicContact CB-CD1 3.81Å; A592-I644 HydrophobicContact CB-CG1 4.03Å
593	L	86.9	Confident	80.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-38.9	177.9	-73	167	0	0	0	112.4	V589 E590 A591 L595 H596 A602 V604 C618 V620 L636 V640	V589-L593 HydrophobicContact CG1-CD1 4.19Å; V589-L593 VanDerWaalsContact O-CG 3.27Å; V589-L593 WeakPolarHBondContact O-CG 3.48Å; V589-L593 PolarHBondContact O-N 2.68Å; E590-L593 PolarHBondContact O-N 3.25Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.2Å; L593-L595 PolarHBondContact O-N 3.4Å; L593-H596 WeakPolarHBondContact O-CB 3.39Å; L593-H596 PolarHBondContact O-N 3.47Å; L593-H596 VanDerWaalsContact O-N 3.15Å; L593-A602 HydrophobicContact CB-CB 3.83Å; L593-A602 HydrophobicContact CD1-CB 3.97Å; L593-V604 HydrophobicContact CD1-CG2 4Å; L593-C618 HydrophobicContact CD1-CB 3.88Å; L593-V620 HydrophobicContact CD1-CG2 4.38Å; L593-L636 HydrophobicContact CD2-CB 3.97Å; L593-L636 HydrophobicContact CD2-CD2 4.18Å; L593-V640 HydrophobicContact CD2-CG2 3.53Å; L593-V640 HydrophobicContact CG-CG2 3.7Å
594	T	87.1	Confident	81.9	Confident	57 Å²	57	25.7 Å²	25.7	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-73.4	-13.8	-178.8	53.6	0	0	0	0	113.7	E590 A591 H596 V599 A602	E590-T594 WeakPolarHBondContact O-CG2 3.42Å; E590-T594 PolarHBondContact O-N 2.8Å; E590-T594 PolarHBondContact O-OG1 2.82Å; A591-T594 PolarHBondContact O-N 2.72Å; A591-T594 PolarHBondContact O-OG1 2.91Å; T594-H596 PolarHBondContact O-N 3.41Å; T594-V599 HydrophobicContact CG2-CG1 4.24Å; T594-A602 HydrophobicContact CG2-CB 4.22Å
595	L	79.9	Confident	83.1	Confident	108 Å²	108	25.3 Å²	25.3	57%	0.565	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.6	167.9	-67.1	173.9	0	0	0	112.8	A591 L593 S597 L639 K643	A591-L595 WeakPolarHBondContact O-CG 3.25Å; A591-L595 PolarHBondContact O-N 2.95Å; L593-L595 PolarHBondContact O-N 3.4Å; L595-S597 PolarHBondContact O-N 3.47Å; L595-L639 HydrophobicContact CB-CD2 4.43Å; L595-K643 HydrophobicContact CD1-CD 3.99Å; L595-K643 HydrophobicContact CD1-CG 4.13Å
596	H	89.9	Confident	83.8	Confident	35 Å²	35	25.3 Å²	25.3	16%	0.162	16%	0.157	C	C	.	.	S	Bend	trans	-72.5	125.2	176.4	-164.6	-92.4	0	0	0	110.6	L593 T594 A598 V599 E635 L636 L639	L593-H596 WeakPolarHBondContact O-CB 3.39Å; L593-H596 PolarHBondContact O-N 3.47Å; L593-H596 VanDerWaalsContact O-N 3.15Å; T594-H596 PolarHBondContact O-N 3.41Å; H596-A598 WeakPolarHBondContact ND1-CB 3.44Å; H596-A598 PolarHBondContact ND1-N 2.9Å; H596-A598 PolarHBondContact O-N 3.24Å; H596-V599 HydrophobicContact CB-CB 4.32Å; H596-V599 HydrophobicContact CB-CG2 3.86Å; H596-V599 PolarHBondContact O-N 3.03Å; H596-E635 IonicContact NE2-OE2 3.71Å; H596-L636 HydrophobicContact CB-CD2 3.65Å; H596-L639 HydrophobicContact CB-CD2 3.56Å
597	S	88.6	Confident	84.1	Confident	83 Å²	83	28.3 Å²	28.3	58%	0.58	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.1	-174.3	64.1	0	0	0	0	114.4	L595 K623	L595-S597 PolarHBondContact O-N 3.47Å; S597-K623 WeakPolarHBondContact O-CD 3.33Å; S597-K623 WeakPolarHBondContact O-CE 3.47Å; S597-K623 PolarHBondContact O-NZ 3.15Å
598	A	90.7	Very high	84.5	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15	177.4	0	0	0	0	0	114.6	H596 L622 K623 R626 M632	H596-A598 WeakPolarHBondContact ND1-CB 3.44Å; H596-A598 PolarHBondContact ND1-N 2.9Å; H596-A598 PolarHBondContact O-N 3.24Å; A598-L622 CarbonylContact O-C 3.4Å; A598-L622 VanDerWaalsContact O-CA 3.28Å; A598-L622 WeakPolarHBondContact O-CA 3.36Å; A598-K623 PolarHBondContact O-N 3.28Å; A598-R626 HydrophobicContact CB-CB 4.33Å; A598-R626 HydrophobicContact CB-CG 3.84Å; A598-M632 HydrophobicContact CB-CE 3.81Å; A598-M632 HydrophobicContact CB-SD 4.16Å
599	V	89.5	Confident	85.1	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.6	-177.7	175.5	0	0	0	0	109.5	T594 H596 A602 V620 L622 K623 L636	T594-V599 HydrophobicContact CG2-CG1 4.24Å; H596-V599 HydrophobicContact CB-CB 4.32Å; H596-V599 HydrophobicContact CB-CG2 3.86Å; H596-V599 PolarHBondContact O-N 3.03Å; V599-A602 HydrophobicContact CG1-CB 4.48Å; V599-V620 HydrophobicContact CB-CG1 4.41Å; V599-V620 HydrophobicContact CG1-CG1 3.97Å; V599-V620 HydrophobicContact CG2-CG1 3.7Å; V599-L622 HydrophobicContact CG2-CD2 4.13Å; V599-K623 VanDerWaalsContact O-CE 3.29Å; V599-K623 WeakPolarHBondContact O-CE 3.41Å; V599-L636 HydrophobicContact CG2-CD1 4.31Å; V599-L636 HydrophobicContact CG2-CD2 3.54Å
600	S	87.8	Confident	84.4	Confident	44 Å²	44	41.2 Å²	41.2	31%	0.308	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-49.5	173	-178.7	0	0	0	0	110.1	T621	S600-T621 WeakPolarHBondContact CB-O 3.27Å; S600-T621 PolarHBondContact N-O 2.85Å
601	E	89.3	Confident	83.3	Confident	39 Å²	39	46.4 Å²	46.4	18%	0.182	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.5	-178	-58.9	-177	119.5	0	0	110.1	T621 L659 K661	E601-T621 PolarHBondContact N-O 3.32Å; E601-T621 PolarHBondContact O-N 2.81Å; E601-L659 HydrophobicContact CB-CD1 3.79Å; E601-K661 IonicContact OE1-NZ 2.83Å; E601-K661 PolarHBondContact OE1-NZ 3.31Å; E601-K661 IonicContact OE2-NZ 2.76Å; E601-K661 PolarHBondContact OE2-NZ 2.79Å
602	A	90.4	Very high	82.7	Confident	6 Å²	6	46.6 Å²	46.6	5%	0.05	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.2	174	0	0	0	0	0	110.1	L593 T594 V599 F619	L593-A602 HydrophobicContact CB-CB 3.83Å; L593-A602 HydrophobicContact CD1-CB 3.97Å; T594-A602 HydrophobicContact CG2-CB 4.22Å; V599-A602 HydrophobicContact CG1-CB 4.48Å; A602-F619 CarbonylContact C-O 3.43Å; A602-F619 WeakPolarHBondContact CA-O 3.4Å
603	A	89.8	Confident	82.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.8	169.4	0	0	0	0	0	109.5	E590 F619 L659 I667 L672	E590-A603 WeakPolarHBondContact OE1-CA 2.98Å; A603-F619 HydrophobicContact CB-CB 4.46Å; A603-F619 PolarHBondContact N-O 3.23Å; A603-F619 PolarHBondContact O-N 3.01Å; A603-L659 HydrophobicContact CB-CD1 3.91Å; A603-L659 HydrophobicContact CB-CD2 3.73Å; A603-L659 HydrophobicContact CB-CG 4.44Å; A603-I667 HydrophobicContact CB-CD1 4.29Å; A603-I667 HydrophobicContact CB-CG2 3.86Å; A603-L672 HydrophobicContact CB-CD1 3.41Å; A603-L672 VanDerWaalsContact CB-CD1 3.41Å
604	V	89.9	Confident	81.8	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.6	-176.2	-174.2	0	0	0	0	109.1	T586 V589 E590 L593 L616 Y617 C618	T586-V604 WeakPolarHBondContact CB-O 3.39Å; T586-V604 HydrophobicContact CG2-CB 4.05Å; T586-V604 HydrophobicContact CG2-CG1 3.97Å; T586-V604 WeakPolarHBondContact CG2-O 3.36Å; V589-V604 HydrophobicContact CB-CG1 4.3Å; V589-V604 HydrophobicContact CB-CG2 4.07Å; V589-V604 HydrophobicContact CG1-CG1 4.21Å; V589-V604 HydrophobicContact CG1-CG2 3.83Å; E590-V604 HydrophobicContact CB-CG2 4.49Å; E590-V604 HydrophobicContact CG-CB 3.93Å; E590-V604 HydrophobicContact CG-CG2 3.51Å; E590-V604 PolarHBondContact OE1-N 3.01Å; L593-V604 HydrophobicContact CD1-CG2 4Å; V604-L616 HydrophobicContact CG1-CB 4.47Å; V604-L616 HydrophobicContact CG1-CD2 3.6Å; V604-Y617 WeakPolarHBondContact CA-O 3.2Å; V604-C618 HydrophobicContact CG2-CB 4.2Å
605	V	89.4	Confident	81.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.3	177.5	-60.6	0	0	0	0	110.9	Y617 F619 R669 L672 R673 A676	V605-Y617 PolarHBondContact N-O 3.46Å; V605-Y617 PolarHBondContact O-N 3.13Å; V605-F619 HydrophobicContact CG2-CD2 4.5Å; V605-F619 HydrophobicContact CG2-CE2 3.79Å; V605-R669 HydrophobicContact CG1-CB 4.14Å; V605-R669 HydrophobicContact CG1-CG 4.4Å; V605-L672 HydrophobicContact CG1-CB 3.72Å; V605-R673 HydrophobicContact CB-CB 4.23Å; V605-R673 HydrophobicContact CB-CG 4.5Å; V605-R673 HydrophobicContact CG1-CB 4.35Å; V605-A676 HydrophobicContact CG2-CB 3.77Å
606	S	84.8	Confident	82.1	Confident	7 Å²	7	43.2 Å²	43.2	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.1	172.3	93.4	0	0	0	0	111.4	E614	S606-E614 VanDerWaalsContact CB-OE1 3.22Å; S606-E614 WeakPolarHBondContact CB-OE1 3.43Å; S606-E614 PolarHBondContact OG-OE1 3.22Å
607	R	84.8	Confident	82.4	Confident	67 Å²	67	43 Å²	43	25%	0.253	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133	169	178.9	178.5	-178.6	-90.2	0.2	109.3	H609 E614 C615 Y617 A676	R607-H609 PolarHBondContact O-N 2.79Å; R607-E614 CarbonylContact O-C 3.54Å; R607-E614 WeakPolarHBondContact O-CA 3.48Å; R607-C615 PolarHBondContact N-O 2.86Å; R607-C615 PolarHBondContact O-N 3.05Å; R607-C615 PolarHBondContact O-SG 3.25Å; R607-Y617 HydrophobicContact CB-CD2 4.47Å; R607-A676 WeakPolarHBondContact CD-O 3.4Å; R607-A676 PolarHBondContact NE-O 2.83Å; R607-A676 VanDerWaalsContact NE-O 3.08Å
608	P	75.9	Confident	82.7	Confident	74 Å²	74	39 Å²	39	48%	0.481	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	137.3	174.7	-26.4	34.8	0	0	0	112.2
609	H	80.6	Confident	83	Confident	54 Å²	54	39.1 Å²	39.1	25%	0.25	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	126.5	-178.4	-170.3	-66.3	0	0	0	110.3	R607 V611 K612 G613 C615	R607-H609 PolarHBondContact O-N 2.79Å; H609-V611 VanDerWaalsContact C-N 3.26Å; H609-V611 PolarHBondContact ND1-N 2.73Å; H609-V611 VanDerWaalsContact ND1-N 3.11Å; H609-V611 PolarHBondContact O-N 3.11Å; H609-V611 VanDerWaalsContact O-N 3.14Å; H609-K612 HydrophobicContact CB-CB 4.21Å; H609-K612 PolarHBondContact ND1-N 2.75Å; H609-G613 PolarHBondContact N-O 3.42Å; H609-G613 CarbonylContact O-C 3.53Å; H609-G613 WeakPolarHBondContact O-CA 3.3Å; H609-G613 PolarHBondContact O-N 3.43Å; H609-G613 VanDerWaalsContact O-O 3.12Å; H609-C615 HydrophobicContact CB-CB 3.79Å
610	Q	63.8	Low	83.2	Confident	207 Å²	207	38.9 Å²	38.9	97%	0.967	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	-172.4	-69.4	-173.6	-24.7	0	0	114.3
611	V	61.6	Low	83.5	Confident	130 Å²	130	37.4 Å²	37.4	79%	0.788	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-49.4	179.8	-175.4	0	0	0	0	113.3	H609 G613	H609-V611 VanDerWaalsContact C-N 3.26Å; H609-V611 PolarHBondContact ND1-N 2.73Å; H609-V611 VanDerWaalsContact ND1-N 3.11Å; H609-V611 PolarHBondContact O-N 3.11Å; H609-V611 VanDerWaalsContact O-N 3.14Å; V611-G613 VanDerWaalsContact C-N 3.32Å; V611-G613 PolarHBondContact O-N 3.46Å
612	K	59.7	Low	83.5	Confident	56 Å²	56	36.5 Å²	36.5	24%	0.243	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.9	-173.1	-57	-178.2	-179.3	174.5	0	114.2	V579 S580 H609 E614 D651	V579-K612 HydrophobicContact CG1-CB 4.18Å; V579-K612 HydrophobicContact CG1-CD 3.83Å; V579-K612 HydrophobicContact CG1-CG 4.49Å; S580-K612 PolarHBondContact N-O 2.79Å; S580-K612 WeakPolarHBondContact OG-CB 3.49Å; S580-K612 WeakPolarHBondContact OG-CG 3.43Å; H609-K612 HydrophobicContact CB-CB 4.21Å; H609-K612 PolarHBondContact ND1-N 2.75Å; K612-E614 WeakPolarHBondContact CB-O 3.35Å; K612-E614 PolarHBondContact O-N 2.92Å; K612-D651 IonicContact NZ-OD1 3.74Å; K612-D651 PolarHBondContact NZ-OD1 3.27Å; K612-D651 IonicContact NZ-OD2 2.77Å; K612-D651 PolarHBondContact NZ-OD2 3.44Å
613	G	67.8	Low	83.3	Confident	49 Å²	49	41.2 Å²	41.2	51%	0.505	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-70	-165.5	0	0	0	0	0	110.4	H609 V611	H609-G613 PolarHBondContact N-O 3.42Å; H609-G613 CarbonylContact O-C 3.53Å; H609-G613 WeakPolarHBondContact O-CA 3.3Å; H609-G613 PolarHBondContact O-N 3.43Å; H609-G613 VanDerWaalsContact O-O 3.12Å; V611-G613 VanDerWaalsContact C-N 3.32Å; V611-G613 PolarHBondContact O-N 3.46Å
614	E	76.7	Confident	82.4	Confident	50 Å²	50	48.8 Å²	48.8	23%	0.234	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160.6	171.1	-58	-172.5	106.1	0	0	111.8	L577 N578 S606 R607 K612	L577-E614 VanDerWaalsContact CA-OE2 3.27Å; L577-E614 WeakPolarHBondContact CA-OE2 3.22Å; L577-E614 HydrophobicContact CB-CB 4.3Å; L577-E614 WeakPolarHBondContact CB-OE2 3.27Å; L577-E614 HydrophobicContact CD1-CB 4.36Å; N578-E614 PolarHBondContact N-OE2 3.45Å; N578-E614 WeakPolarHBondContact O-CB 3.34Å; N578-E614 PolarHBondContact O-N 3.41Å; S606-E614 VanDerWaalsContact CB-OE1 3.22Å; S606-E614 WeakPolarHBondContact CB-OE1 3.43Å; S606-E614 PolarHBondContact OG-OE1 3.22Å; R607-E614 CarbonylContact O-C 3.54Å; R607-E614 WeakPolarHBondContact O-CA 3.48Å; K612-E614 WeakPolarHBondContact CB-O 3.35Å; K612-E614 PolarHBondContact O-N 2.92Å
615	C	84.5	Confident	81.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.2	174.1	66.3	0	0	0	0	111.4	R607 H609 D651	R607-C615 PolarHBondContact N-O 2.86Å; R607-C615 PolarHBondContact O-N 3.05Å; R607-C615 PolarHBondContact O-SG 3.25Å; H609-C615 HydrophobicContact CB-CB 3.79Å; C615-D651 HydrophobicContact CB-CB 4Å; C615-D651 VanDerWaalsContact CB-OD2 3.27Å; C615-D651 WeakPolarHBondContact CB-OD2 3.36Å
616	L	89.1	Confident	81.2	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.8	179.7	-69.8	167.1	0	0	0	110.9	L577 M584 V589 V604 A648 D651 F652	L577-L616 HydrophobicContact CD1-CD2 3.6Å; L577-L616 HydrophobicContact CD1-CG 3.96Å; L577-L616 HydrophobicContact CD2-CD2 3.68Å; L577-L616 HydrophobicContact CG-CD2 4.15Å; M584-L616 HydrophobicContact CE-CD1 3.66Å; M584-L616 HydrophobicContact CE-CD2 4.36Å; M584-L616 HydrophobicContact CE-CG 4.02Å; V589-L616 HydrophobicContact CG1-CD1 4.4Å; V589-L616 HydrophobicContact CG2-CD1 3.93Å; V589-L616 HydrophobicContact CG2-CD2 3.99Å; V604-L616 HydrophobicContact CG1-CB 4.47Å; V604-L616 HydrophobicContact CG1-CD2 3.6Å; L616-A648 HydrophobicContact CD1-CB 4.41Å; L616-A648 WeakPolarHBondContact CD1-O 3.46Å; L616-D651 PolarHBondContact O-N 3.2Å; L616-F652 PolarHBondContact O-N 2.97Å
617	Y	94.9	Very high	81.3	Confident	30 Å²	30	68.7 Å²	68.7	12%	0.118	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.9	170.9	-159.1	-67.2	0	0	0	109.7	V604 V605 R607 F619 F652 Q654 A676	V604-Y617 WeakPolarHBondContact CA-O 3.2Å; V605-Y617 PolarHBondContact N-O 3.46Å; V605-Y617 PolarHBondContact O-N 3.13Å; R607-Y617 HydrophobicContact CB-CD2 4.47Å; Y617-F619 HydrophobicContact CD1-CD2 4.1Å; Y617-F619 HydrophobicContact CD1-CE1 4.29Å; Y617-F619 AromaticContact CD1-CE2 3.55Å; Y617-F619 HydrophobicContact CD1-CE2 3.55Å; Y617-F619 AromaticContact CD1-CZ 3.67Å; Y617-F619 HydrophobicContact CD1-CZ 3.67Å; Y617-F619 HydrophobicContact CE1-CD1 4.4Å; Y617-F619 AromaticContact CE1-CE1 3.82Å; Y617-F619 HydrophobicContact CE1-CE1 3.82Å; Y617-F619 AromaticContact CE1-CE2 3.94Å; Y617-F619 HydrophobicContact CE1-CE2 3.94Å; Y617-F619 AromaticContact CE1-CZ 3.57Å; Y617-F619 HydrophobicContact CE1-CZ 3.57Å; Y617-F652 HydrophobicContact CD1-CB 4.28Å; Y617-F652 HydrophobicContact CD2-CB 3.41Å; Y617-F652 VanDerWaalsContact CD2-CB 3.41Å; Y617-F652 HydrophobicContact CD2-CD1 4.46Å; Y617-F652 AromaticContact CD2-CD2 3.59Å; Y617-F652 HydrophobicContact CD2-CD2 3.59Å; Y617-F652 AromaticContact CD2-CG 3.56Å; Y617-F652 HydrophobicContact CD2-CG 3.56Å; Y617-F652 HydrophobicContact CE1-CB 4.32Å; Y617-F652 HydrophobicContact CE2-CB 3.5Å; Y617-F652 VanDerWaalsContact CE2-CB 3.5Å; Y617-F652 HydrophobicContact CE2-CD1 4.07Å; Y617-F652 HydrophobicContact CE2-CD2 4.02Å; Y617-F652 AromaticContact CE2-CG 3.58Å; Y617-F652 HydrophobicContact CE2-CG 3.58Å; Y617-F652 HydrophobicContact CG-CB 3.83Å; Y617-F652 HydrophobicContact CG-CD2 4.47Å; Y617-F652 HydrophobicContact CG-CG 4.42Å; Y617-Q654 HydrophobicContact CE1-CB 3.77Å; Y617-Q654 PolarHBondContact OH-OE1 3.44Å; Y617-A676 HydrophobicContact CD1-CB 4.07Å; Y617-A676 HydrophobicContact CD2-CB 3.83Å; Y617-A676 HydrophobicContact CE2-CB 4.29Å; Y617-A676 HydrophobicContact CG-CB 3.71Å
618	C	95.4	Very high	81.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.1	-173.9	-54.6	0	0	0	0	110.8	L593 V604 P650 F652 I653 Q654	L593-C618 HydrophobicContact CD1-CB 3.88Å; V604-C618 HydrophobicContact CG2-CB 4.2Å; C618-P650 VanDerWaalsContact SG-CB 3.55Å; C618-P650 VanDerWaalsContact SG-CG 3.56Å; C618-F652 PolarHBondContact N-O 3.2Å; C618-I653 HydrophobicContact CB-CG1 4.26Å; C618-I653 CarbonylContact O-C 3.53Å; C618-I653 WeakPolarHBondContact O-CA 3.5Å; C618-Q654 PolarHBondContact O-N 2.91Å
619	F	96.4	Very high	82.4	Confident	3 Å²	3	68.1 Å²	68.1	1%	0.013	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.9	167.9	-62.7	-90.5	0	0	0	108.2	A602 A603 V605 Y617 Q654 A656 L659 L672 I675 A676	A602-F619 CarbonylContact C-O 3.43Å; A602-F619 WeakPolarHBondContact CA-O 3.4Å; A603-F619 HydrophobicContact CB-CB 4.46Å; A603-F619 PolarHBondContact N-O 3.23Å; A603-F619 PolarHBondContact O-N 3.01Å; V605-F619 HydrophobicContact CG2-CD2 4.5Å; V605-F619 HydrophobicContact CG2-CE2 3.79Å; Y617-F619 HydrophobicContact CD1-CD2 4.1Å; Y617-F619 HydrophobicContact CD1-CE1 4.29Å; Y617-F619 AromaticContact CD1-CE2 3.55Å; Y617-F619 HydrophobicContact CD1-CE2 3.55Å; Y617-F619 AromaticContact CD1-CZ 3.67Å; Y617-F619 HydrophobicContact CD1-CZ 3.67Å; Y617-F619 HydrophobicContact CE1-CD1 4.4Å; Y617-F619 AromaticContact CE1-CE1 3.82Å; Y617-F619 HydrophobicContact CE1-CE1 3.82Å; Y617-F619 AromaticContact CE1-CE2 3.94Å; Y617-F619 HydrophobicContact CE1-CE2 3.94Å; Y617-F619 AromaticContact CE1-CZ 3.57Å; Y617-F619 HydrophobicContact CE1-CZ 3.57Å; F619-Q654 WeakPolarHBondContact CA-O 3.5Å; F619-Q654 HydrophobicContact CD1-CB 4.25Å; F619-Q654 HydrophobicContact CE1-CB 4.49Å; F619-A656 HydrophobicContact CB-CB 3.9Å; F619-A656 HydrophobicContact CD1-CB 4.29Å; F619-L659 HydrophobicContact CB-CD2 3.72Å; F619-L672 HydrophobicContact CD1-CD2 4.05Å; F619-L672 HydrophobicContact CD2-CB 4.04Å; F619-L672 HydrophobicContact CD2-CD1 4.08Å; F619-L672 HydrophobicContact CD2-CD2 3.92Å; F619-L672 HydrophobicContact CD2-CG 4.24Å; F619-L672 HydrophobicContact CE1-CD2 4.11Å; F619-L672 HydrophobicContact CE2-CB 3.69Å; F619-L672 HydrophobicContact CE2-CD2 3.99Å; F619-L672 HydrophobicContact CE2-CG 4.29Å; F619-L672 HydrophobicContact CG-CD2 3.94Å; F619-L672 HydrophobicContact CZ-CB 4.25Å; F619-L672 HydrophobicContact CZ-CD2 4.08Å; F619-L672 WeakPolarHBondContact CZ-O 3.33Å; F619-I675 HydrophobicContact CE1-CG2 4.07Å; F619-I675 HydrophobicContact CZ-CB 4.38Å; F619-I675 HydrophobicContact CZ-CG2 4.07Å; F619-A676 HydrophobicContact CZ-CB 4.38Å
620	V	95.4	Very high	83	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.3	-174.7	176.7	0	0	0	0	110.1	L593 V599 L622 F628 L636 I653 Q654 A656	L593-V620 HydrophobicContact CD1-CG2 4.38Å; V599-V620 HydrophobicContact CB-CG1 4.41Å; V599-V620 HydrophobicContact CG1-CG1 3.97Å; V599-V620 HydrophobicContact CG2-CG1 3.7Å; V620-L622 HydrophobicContact CG1-CD2 3.85Å; V620-F628 HydrophobicContact CB-CE2 4.48Å; V620-L636 HydrophobicContact CG1-CD1 4.11Å; V620-L636 HydrophobicContact CG2-CD1 4.34Å; V620-I653 HydrophobicContact CB-CG2 4.35Å; V620-I653 HydrophobicContact CG2-CG2 3.75Å; V620-Q654 PolarHBondContact N-O 3.19Å; V620-A656 PolarHBondContact O-N 3.09Å
621	T	92.4	Very high	84.4	Confident	12 Å²	12	71.4 Å²	71.4	7%	0.074	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	169.5	-52.2	0	0	0	0	108.3	S600 E601 A656 P657	S600-T621 WeakPolarHBondContact CB-O 3.27Å; S600-T621 PolarHBondContact N-O 2.85Å; E601-T621 PolarHBondContact N-O 3.32Å; E601-T621 PolarHBondContact O-N 2.81Å; T621-A656 VanDerWaalsContact CA-O 3.29Å; T621-A656 WeakPolarHBondContact CA-O 3.27Å; T621-A656 VanDerWaalsContact CB-O 3.3Å; T621-A656 WeakPolarHBondContact CB-O 3.22Å; T621-A656 PolarHBondContact OG1-O 3.29Å; T621-P657 WeakPolarHBondContact CG2-O 3.44Å
622	L	90.5	Very high	86	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	157.6	176.7	-58.6	-179.2	0	0	0	111.1	A598 V599 V620 R626 E627 F628 M632	A598-L622 CarbonylContact O-C 3.4Å; A598-L622 VanDerWaalsContact O-CA 3.28Å; A598-L622 WeakPolarHBondContact O-CA 3.36Å; V599-L622 HydrophobicContact CG2-CD2 4.13Å; V620-L622 HydrophobicContact CG1-CD2 3.85Å; L622-R626 HydrophobicContact CB-CB 4.12Å; L622-R626 HydrophobicContact CD1-CB 4.14Å; L622-E627 WeakPolarHBondContact CD1-O 3.29Å; L622-F628 HydrophobicContact CD1-CB 3.82Å; L622-F628 HydrophobicContact CD1-CD2 4.08Å; L622-F628 HydrophobicContact CD1-CG 4.45Å; L622-F628 HydrophobicContact CG-CD2 4.38Å; L622-M632 HydrophobicContact CD1-CG 4.23Å; L622-M632 HydrophobicContact CD2-CG 4.24Å; L622-M632 HydrophobicContact CD2-SD 4.16Å
623	K	86.6	Confident	87.7	Confident	106 Å²	106	64.7 Å²	64.7	46%	0.461	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-69.7	151	170.4	-64	-179	-174.2	164.1	0	110.4	S597 A598 V599 S625 R626	S597-K623 WeakPolarHBondContact O-CD 3.33Å; S597-K623 WeakPolarHBondContact O-CE 3.47Å; S597-K623 PolarHBondContact O-NZ 3.15Å; A598-K623 PolarHBondContact O-N 3.28Å; V599-K623 VanDerWaalsContact O-CE 3.29Å; V599-K623 WeakPolarHBondContact O-CE 3.41Å; K623-S625 PolarHBondContact O-N 3.19Å; K623-R626 PolarHBondContact O-N 3.39Å
624	D	69.6	Low	89	Confident	159 Å²	159	64.9 Å²	64.9	85%	0.85	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	133.8	176.6	-60.7	-34.5	0	0	0	109.6
625	S	72.3	Confident	89.9	Confident	121 Å²	121	65.8 Å²	65.8	85%	0.846	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	0	-173.5	78.1	0	0	0	0	118.9	K623	K623-S625 PolarHBondContact O-N 3.19Å
626	R	82.3	Confident	90.4	Very high	144 Å²	144	65.8 Å²	65.8	54%	0.543	33%	0.326	S	S	.	.			trans	-107.7	132	179.2	-63	-68.5	-168.6	176.3	1.8	112.3	A598 L622 K623	A598-R626 HydrophobicContact CB-CB 4.33Å; A598-R626 HydrophobicContact CB-CG 3.84Å; L622-R626 HydrophobicContact CB-CB 4.12Å; L622-R626 HydrophobicContact CD1-CB 4.14Å; K623-R626 PolarHBondContact O-N 3.39Å
627	E	88.1	Confident	90.5	Very high	160 Å²	160	68.5 Å²	68.5	75%	0.748	34%	0.338	S	S	*	.			trans	-85	140.5	175	-68.2	-168.5	167.4	0	0	111.8	L622 D629	L622-E627 WeakPolarHBondContact CD1-O 3.29Å; E627-D629 PolarHBondContact O-N 3.06Å
628	F	90.9	Very high	90.2	Very high	57 Å²	57	71.6 Å²	71.6	25%	0.25	36%	0.355	C	S	.	.			trans	-91.6	97.6	172.1	-170.3	-83.7	0	0	0	109.5	V620 L622 V633 I653 N655	V620-F628 HydrophobicContact CB-CE2 4.48Å; L622-F628 HydrophobicContact CD1-CB 3.82Å; L622-F628 HydrophobicContact CD1-CD2 4.08Å; L622-F628 HydrophobicContact CD1-CG 4.45Å; L622-F628 HydrophobicContact CG-CD2 4.38Å; F628-V633 HydrophobicContact CE1-CG2 3.65Å; F628-V633 HydrophobicContact CE2-CG2 4.28Å; F628-V633 HydrophobicContact CZ-CG2 3.5Å; F628-V633 VanDerWaalsContact CZ-CG2 3.5Å; F628-I653 HydrophobicContact CE2-CG2 3.97Å; F628-I653 HydrophobicContact CZ-CG2 3.89Å; F628-N655 HydrophobicContact CB-CB 4.03Å; F628-N655 HydrophobicContact CD1-CB 3.6Å; F628-N655 HydrophobicContact CD2-CB 3.79Å; F628-N655 HydrophobicContact CE1-CB 3.92Å; F628-N655 HydrophobicContact CE2-CB 4.11Å; F628-N655 HydrophobicContact CG-CB 3.52Å; F628-N655 HydrophobicContact CZ-CB 4.17Å; F628-N655 VanDerWaalsContact CZ-N 3.3Å
629	D	92.4	Very high	89.7	Confident	72 Å²	72	72.8 Å²	72.8	39%	0.385	36%	0.361	S	S	.	.			trans	-123.7	-178.9	-179.7	73.9	-1.4	0	0	0	112.5	E627 K631 M632 V633	E627-D629 PolarHBondContact O-N 3.06Å; D629-K631 PolarHBondContact O-N 3.45Å; D629-K631 WeakPolarHBondContact OD1-CA 3.29Å; D629-K631 WeakPolarHBondContact OD1-CB 3.39Å; D629-K631 PolarHBondContact OD1-N 2.92Å; D629-M632 PolarHBondContact O-N 2.84Å; D629-M632 WeakPolarHBondContact OD1-CB 3.3Å; D629-M632 PolarHBondContact OD1-N 2.92Å; D629-V633 WeakPolarHBondContact O-CG2 3.29Å; D629-V633 PolarHBondContact O-N 2.93Å; D629-V633 VanDerWaalsContact O-N 3.11Å
630	K	92.4	Very high	88.9	Confident	192 Å²	192	72.6 Å²	72.6	84%	0.835	36%	0.36	S	S	*	.	H	α-helix	trans	-63	-29.2	178.9	-70	-176.8	-179.7	177.4	0	112.6	A634	K630-A634 PolarHBondContact O-N 2.69Å; K630-A634 VanDerWaalsContact O-N 3.11Å
631	K	93.9	Very high	88.3	Confident	137 Å²	137	78 Å²	78	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-70	-48.6	179.5	-171.5	-170.5	179.3	-157.2	0	109.9	D629 V633 A634 E635	D629-K631 PolarHBondContact O-N 3.45Å; D629-K631 WeakPolarHBondContact OD1-CA 3.29Å; D629-K631 WeakPolarHBondContact OD1-CB 3.39Å; D629-K631 PolarHBondContact OD1-N 2.92Å; K631-V633 VanDerWaalsContact C-N 3.3Å; K631-V633 PolarHBondContact O-N 3Å; K631-A634 WeakPolarHBondContact O-CB 3.42Å; K631-A634 PolarHBondContact O-N 3.01Å; K631-A634 VanDerWaalsContact O-N 3.08Å; K631-E635 WeakPolarHBondContact CE-OE1 3.33Å; K631-E635 IonicContact NZ-OE1 3.65Å; K631-E635 WeakPolarHBondContact O-CG 3.27Å; K631-E635 PolarHBondContact O-N 3.29Å
632	M	94.8	Very high	87.2	Confident	14 Å²	14	84 Å²	84	7%	0.069	41%	0.408	C	S	.	.	H	α-helix	trans	-56	-44.3	174.2	-175.8	60.9	59.7	0	0	111.5	A598 L622 D629 A634 E635 L636	A598-M632 HydrophobicContact CB-CE 3.81Å; A598-M632 HydrophobicContact CB-SD 4.16Å; L622-M632 HydrophobicContact CD1-CG 4.23Å; L622-M632 HydrophobicContact CD2-CG 4.24Å; L622-M632 HydrophobicContact CD2-SD 4.16Å; D629-M632 PolarHBondContact O-N 2.84Å; D629-M632 WeakPolarHBondContact OD1-CB 3.3Å; D629-M632 PolarHBondContact OD1-N 2.92Å; M632-A634 VanDerWaalsContact C-N 3.34Å; M632-A634 PolarHBondContact O-N 3.03Å; M632-E635 PolarHBondContact O-N 3.15Å; M632-L636 HydrophobicContact CG-CD1 4.03Å; M632-L636 WeakPolarHBondContact O-CB 3.09Å; M632-L636 VanDerWaalsContact O-CG 3.23Å; M632-L636 WeakPolarHBondContact O-CG 3.47Å; M632-L636 PolarHBondContact O-N 3.36Å; M632-L636 HydrophobicContact SD-CD1 4.23Å; M632-L636 HydrophobicContact SD-CG 4.26Å
633	V	95.9	Very high	86.2	Confident	31 Å²	31	87.4 Å²	87.4	19%	0.188	42%	0.422	C	S	.	.	H	α-helix	trans	-60.9	-42.9	176.1	171.3	0	0	0	0	111.8	F628 D629 K631 K637 I653	F628-V633 HydrophobicContact CE1-CG2 3.65Å; F628-V633 HydrophobicContact CE2-CG2 4.28Å; F628-V633 HydrophobicContact CZ-CG2 3.5Å; F628-V633 VanDerWaalsContact CZ-CG2 3.5Å; D629-V633 WeakPolarHBondContact O-CG2 3.29Å; D629-V633 PolarHBondContact O-N 2.93Å; D629-V633 VanDerWaalsContact O-N 3.11Å; K631-V633 VanDerWaalsContact C-N 3.3Å; K631-V633 PolarHBondContact O-N 3Å; V633-K637 HydrophobicContact CG1-CD 4.5Å; V633-K637 WeakPolarHBondContact O-CG 3.03Å; V633-K637 PolarHBondContact O-N 3.2Å; V633-I653 HydrophobicContact CG1-CB 4.18Å; V633-I653 HydrophobicContact CG1-CD1 4.44Å; V633-I653 HydrophobicContact CG1-CG1 4.48Å; V633-I653 HydrophobicContact CG2-CB 4.37Å
634	A	94.9	Very high	85.3	Confident	53 Å²	53	83.6 Å²	83.6	44%	0.438	41%	0.406	S	S	.	.	H	α-helix	trans	-66.6	-42.9	178.3	0	0	0	0	0	112.1	K630 K631 M632 K637 M638	K630-A634 PolarHBondContact O-N 2.69Å; K630-A634 VanDerWaalsContact O-N 3.11Å; K631-A634 WeakPolarHBondContact O-CB 3.42Å; K631-A634 PolarHBondContact O-N 3.01Å; K631-A634 VanDerWaalsContact O-N 3.08Å; M632-A634 VanDerWaalsContact C-N 3.34Å; M632-A634 PolarHBondContact O-N 3.03Å; A634-K637 PolarHBondContact O-N 2.94Å; A634-M638 WeakPolarHBondContact O-CB 3.47Å; A634-M638 WeakPolarHBondContact O-CG 3.24Å; A634-M638 PolarHBondContact O-N 2.97Å
635	E	95.1	Very high	84.8	Confident	69 Å²	69	76.6 Å²	76.6	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-47.8	176	-73.5	172.5	-179.5	0	0	111.2	H596 K631 M632 K637 M638 L639	H596-E635 IonicContact NE2-OE2 3.71Å; K631-E635 WeakPolarHBondContact CE-OE1 3.33Å; K631-E635 IonicContact NZ-OE1 3.65Å; K631-E635 WeakPolarHBondContact O-CG 3.27Å; K631-E635 PolarHBondContact O-N 3.29Å; M632-E635 PolarHBondContact O-N 3.15Å; E635-K637 PolarHBondContact O-N 3.44Å; E635-M638 PolarHBondContact O-N 3.38Å; E635-L639 WeakPolarHBondContact O-CB 3.3Å; E635-L639 PolarHBondContact O-N 3.07Å
636	L	94.2	Very high	84.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-40	178.7	-68.3	173.5	0	0	0	112.9	L593 H596 V599 V620 M632 M638 L639 V640 I653	L593-L636 HydrophobicContact CD2-CB 3.97Å; L593-L636 HydrophobicContact CD2-CD2 4.18Å; H596-L636 HydrophobicContact CB-CD2 3.65Å; V599-L636 HydrophobicContact CG2-CD1 4.31Å; V599-L636 HydrophobicContact CG2-CD2 3.54Å; V620-L636 HydrophobicContact CG1-CD1 4.11Å; V620-L636 HydrophobicContact CG2-CD1 4.34Å; M632-L636 HydrophobicContact CG-CD1 4.03Å; M632-L636 WeakPolarHBondContact O-CB 3.09Å; M632-L636 VanDerWaalsContact O-CG 3.23Å; M632-L636 WeakPolarHBondContact O-CG 3.47Å; M632-L636 PolarHBondContact O-N 3.36Å; M632-L636 HydrophobicContact SD-CD1 4.23Å; M632-L636 HydrophobicContact SD-CG 4.26Å; L636-M638 VanDerWaalsContact C-N 3.34Å; L636-L639 PolarHBondContact O-N 3.01Å; L636-V640 WeakPolarHBondContact O-CG2 3.47Å; L636-V640 PolarHBondContact O-N 2.89Å; L636-V640 VanDerWaalsContact O-N 3.11Å; L636-I653 HydrophobicContact CB-CD1 3.61Å; L636-I653 HydrophobicContact CD1-CG2 4.26Å
637	K	93.1	Very high	83.7	Confident	59 Å²	59	70.6 Å²	70.6	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-41.8	174.3	-75.2	-172	-177.6	-146.5	0	111.7	V633 A634 E635 R641 T649 P650 D651 I653	V633-K637 HydrophobicContact CG1-CD 4.5Å; V633-K637 WeakPolarHBondContact O-CG 3.03Å; V633-K637 PolarHBondContact O-N 3.2Å; A634-K637 PolarHBondContact O-N 2.94Å; E635-K637 PolarHBondContact O-N 3.44Å; K637-R641 WeakPolarHBondContact O-CB 3.4Å; K637-R641 PolarHBondContact O-N 3.48Å; K637-T649 HydrophobicContact CB-CG2 4.12Å; K637-T649 HydrophobicContact CD-CG2 4.49Å; K637-T649 HydrophobicContact CG-CG2 4.45Å; K637-P650 WeakPolarHBondContact CD-O 3.38Å; K637-P650 WeakPolarHBondContact CE-O 3.48Å; K637-P650 HydrophobicContact CG-CB 4.49Å; K637-P650 PolarHBondContact NZ-O 2.96Å; K637-D651 PolarHBondContact NZ-O 2.79Å; K637-I653 HydrophobicContact CG-CD1 3.64Å; K637-I653 HydrophobicContact CG-CG1 4.26Å
638	M	87.8	Confident	83.1	Confident	95 Å²	95	63 Å²	63	47%	0.468	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-41.5	177	-76.4	-58.2	-57	0	0	111.6	A634 E635 L636 V640 R641 E642	A634-M638 WeakPolarHBondContact O-CB 3.47Å; A634-M638 WeakPolarHBondContact O-CG 3.24Å; A634-M638 PolarHBondContact O-N 2.97Å; E635-M638 PolarHBondContact O-N 3.38Å; L636-M638 VanDerWaalsContact C-N 3.34Å; M638-V640 PolarHBondContact O-N 2.61Å; M638-R641 WeakPolarHBondContact O-CB 3Å; M638-R641 PolarHBondContact O-N 2.94Å; M638-E642 WeakPolarHBondContact O-CB 3.42Å; M638-E642 WeakPolarHBondContact O-CG 3.39Å; M638-E642 PolarHBondContact O-N 2.94Å
639	L	85.2	Confident	82.8	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-48.8	176.5	-179.7	64	0	0	0	112	A592 L595 H596 E635 L636 R641 E642 K643	A592-L639 VanDerWaalsContact O-CD2 3.24Å; A592-L639 WeakPolarHBondContact O-CD2 3.45Å; L595-L639 HydrophobicContact CB-CD2 4.43Å; H596-L639 HydrophobicContact CB-CD2 3.56Å; E635-L639 WeakPolarHBondContact O-CB 3.3Å; E635-L639 PolarHBondContact O-N 3.07Å; L636-L639 PolarHBondContact O-N 3.01Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 2.85Å; L639-E642 PolarHBondContact O-N 2.95Å; L639-K643 HydrophobicContact CD1-CG 3.86Å; L639-K643 HydrophobicContact CG-CG 4.33Å; L639-K643 WeakPolarHBondContact O-CB 3.36Å; L639-K643 VanDerWaalsContact O-CG 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.36Å; L639-K643 PolarHBondContact O-N 2.88Å
640	V	78.8	Confident	82.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-40.2	177.5	178	0	0	0	0	111	V589 A592 L593 L636 M638 E642 K643 I644 G645 A648 P650	V589-V640 HydrophobicContact CG1-CG1 4.09Å; V589-V640 HydrophobicContact CG1-CG2 4.36Å; A592-V640 HydrophobicContact CB-CG2 4.3Å; L593-V640 HydrophobicContact CD2-CG2 3.53Å; L593-V640 HydrophobicContact CG-CG2 3.7Å; L636-V640 WeakPolarHBondContact O-CG2 3.47Å; L636-V640 PolarHBondContact O-N 2.89Å; L636-V640 VanDerWaalsContact O-N 3.11Å; M638-V640 PolarHBondContact O-N 2.61Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.44Å; V640-K643 PolarHBondContact O-N 2.78Å; V640-I644 HydrophobicContact CG1-CD1 4.05Å; V640-I644 PolarHBondContact O-N 2.97Å; V640-G645 PolarHBondContact O-N 3.39Å; V640-A648 HydrophobicContact CG1-CB 4.1Å; V640-A648 WeakPolarHBondContact CG1-O 3.24Å; V640-P650 HydrophobicContact CB-CG 4.33Å; V640-P650 HydrophobicContact CG1-CG 4.33Å; V640-P650 HydrophobicContact CG2-CG 4.14Å
641	R	82.3	Confident	82.9	Confident	112 Å²	112	51.2 Å²	51.2	42%	0.423	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-38.8	176.1	179.9	179.6	-171.9	98.9	-1.3	112.7	K637 M638 L639 G645 P646	K637-R641 WeakPolarHBondContact O-CB 3.4Å; K637-R641 PolarHBondContact O-N 3.48Å; M638-R641 WeakPolarHBondContact O-CB 3Å; M638-R641 PolarHBondContact O-N 2.94Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 2.85Å; R641-G645 CarbonylContact O-C 3.52Å; R641-G645 WeakPolarHBondContact O-CA 3.18Å; R641-G645 PolarHBondContact O-N 3.27Å; R641-G645 VanDerWaalsContact O-N 3.16Å; R641-P646 HydrophobicContact CG-CG 4.5Å
642	E	70	Confident	82.9	Confident	139 Å²	139	48.3 Å²	48.3	65%	0.65	25%	0.246	S	C	*	.	H	α-helix	trans	-75.5	-38.2	179.2	-74.5	174.2	-174	0	0	112.5	M638 L639 V640	M638-E642 WeakPolarHBondContact O-CB 3.42Å; M638-E642 WeakPolarHBondContact O-CG 3.39Å; M638-E642 PolarHBondContact O-N 2.94Å; L639-E642 PolarHBondContact O-N 2.95Å; V640-E642 VanDerWaalsContact C-N 3.32Å; V640-E642 PolarHBondContact O-N 3.44Å
643	K	70.4	Confident	83	Confident	92 Å²	92	48.6 Å²	48.6	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-81.4	-35.7	-175.7	-66.4	-63.4	179.2	-175.2	0	113.7	A592 L595 L639 V640	A592-K643 HydrophobicContact CB-CB 4.06Å; L595-K643 HydrophobicContact CD1-CD 3.99Å; L595-K643 HydrophobicContact CD1-CG 4.13Å; L639-K643 HydrophobicContact CD1-CG 3.86Å; L639-K643 HydrophobicContact CG-CG 4.33Å; L639-K643 WeakPolarHBondContact O-CB 3.36Å; L639-K643 VanDerWaalsContact O-CG 3.29Å; L639-K643 WeakPolarHBondContact O-CG 3.36Å; L639-K643 PolarHBondContact O-N 2.88Å; V640-K643 PolarHBondContact O-N 2.78Å
644	I	66.8	Low	82.9	Confident	26 Å²	26	49.7 Å²	49.7	13%	0.133	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-55.9	-176.5	-53.9	177.9	0	0	0	110	E588 V589 A592 V640 A648	E588-I644 HydrophobicContact CB-CD1 4.36Å; E588-I644 HydrophobicContact CG-CD1 3.74Å; E588-I644 HydrophobicContact CG-CG1 4.16Å; V589-I644 HydrophobicContact CB-CD1 4.37Å; V589-I644 HydrophobicContact CG2-CD1 3.91Å; A592-I644 HydrophobicContact CB-CD1 3.81Å; A592-I644 HydrophobicContact CB-CG1 4.03Å; V640-I644 HydrophobicContact CG1-CD1 4.05Å; V640-I644 PolarHBondContact O-N 2.97Å; I644-A648 HydrophobicContact CB-CB 3.73Å; I644-A648 HydrophobicContact CD1-CB 4.2Å; I644-A648 HydrophobicContact CG2-CB 3.41Å; I644-A648 VanDerWaalsContact CG2-CB 3.41Å
645	G	60	Low	82.8	Confident	11 Å²	11	49.9 Å²	49.9	11%	0.113	24%	0.244	C	C	.	.			trans	148	172	177.8	0	0	0	0	0	113.5	V640 R641 I647 A648	V640-G645 PolarHBondContact O-N 3.39Å; R641-G645 CarbonylContact O-C 3.52Å; R641-G645 WeakPolarHBondContact O-CA 3.18Å; R641-G645 PolarHBondContact O-N 3.27Å; R641-G645 VanDerWaalsContact O-N 3.16Å; G645-I647 PolarHBondContact O-N 2.85Å; G645-I647 VanDerWaalsContact O-N 3.16Å; G645-A648 PolarHBondContact O-N 2.98Å; G645-A648 VanDerWaalsContact O-N 3.12Å
646	P	65.9	Low	82.6	Confident	83 Å²	83	47 Å²	47	54%	0.539	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.9	-36.2	179.8	-28.9	36.9	0	0	0	114.4	R641 A648 T649	R641-P646 HydrophobicContact CG-CG 4.5Å; P646-A648 VanDerWaalsContact C-N 3.28Å; P646-A648 PolarHBondContact O-N 3.31Å; P646-T649 WeakPolarHBondContact O-CB 3.5Å; P646-T649 PolarHBondContact O-N 3.4Å; P646-T649 PolarHBondContact O-OG1 2.82Å
647	I	64.2	Low	82	Confident	57 Å²	57	51.7 Å²	51.7	29%	0.292	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.4	-29.5	-177.8	-166.5	63.1	0	0	0	113	V579 H582 M584 G645 T649	V579-I647 HydrophobicContact CG1-CD1 4.43Å; H582-I647 HydrophobicContact CB-CG1 4.15Å; M584-I647 HydrophobicContact SD-CG2 4.16Å; G645-I647 PolarHBondContact O-N 2.85Å; G645-I647 VanDerWaalsContact O-N 3.16Å; I647-T649 VanDerWaalsContact C-N 3.34Å
648	A	75.4	Confident	81.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-89.4	4.5	179.5	0	0	0	0	0	113.4	M584 L616 V640 I644 G645 P646 P650	M584-A648 HydrophobicContact CE-CB 4.46Å; M584-A648 HydrophobicContact SD-CB 3.64Å; L616-A648 HydrophobicContact CD1-CB 4.41Å; L616-A648 WeakPolarHBondContact CD1-O 3.46Å; V640-A648 HydrophobicContact CG1-CB 4.1Å; V640-A648 WeakPolarHBondContact CG1-O 3.24Å; I644-A648 HydrophobicContact CB-CB 3.73Å; I644-A648 HydrophobicContact CD1-CB 4.2Å; I644-A648 HydrophobicContact CG2-CB 3.41Å; I644-A648 VanDerWaalsContact CG2-CB 3.41Å; G645-A648 PolarHBondContact O-N 2.98Å; G645-A648 VanDerWaalsContact O-N 3.12Å; P646-A648 VanDerWaalsContact C-N 3.28Å; P646-A648 PolarHBondContact O-N 3.31Å; A648-P650 VanDerWaalsContact O-CD 3.24Å; A648-P650 WeakPolarHBondContact O-CD 3.28Å
649	T	86.1	Confident	81.4	Confident	30 Å²	30	46.4 Å²	46.4	18%	0.184	25%	0.245	C	C	.	.			trans	-62.4	121.6	-179.8	-52.2	0	0	0	0	109.7	K637 P646 I647 D651	K637-T649 HydrophobicContact CB-CG2 4.12Å; K637-T649 HydrophobicContact CD-CG2 4.49Å; K637-T649 HydrophobicContact CG-CG2 4.45Å; P646-T649 WeakPolarHBondContact O-CB 3.5Å; P646-T649 PolarHBondContact O-N 3.4Å; P646-T649 PolarHBondContact O-OG1 2.82Å; I647-T649 VanDerWaalsContact C-N 3.34Å; T649-D651 PolarHBondContact O-N 3.32Å
650	P	92.2	Very high	81.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.013	25%	0.245	C	C	.	.			trans	-60.2	133.5	-179.3	-27.9	37.2	0	0	0	112.9	V589 C618 K637 V640 A648 I653	V589-P650 HydrophobicContact CG1-CG 4.48Å; C618-P650 VanDerWaalsContact SG-CB 3.55Å; C618-P650 VanDerWaalsContact SG-CG 3.56Å; K637-P650 WeakPolarHBondContact CD-O 3.38Å; K637-P650 WeakPolarHBondContact CE-O 3.48Å; K637-P650 HydrophobicContact CG-CB 4.49Å; K637-P650 PolarHBondContact NZ-O 2.96Å; V640-P650 HydrophobicContact CB-CG 4.33Å; V640-P650 HydrophobicContact CG1-CG 4.33Å; V640-P650 HydrophobicContact CG2-CG 4.14Å; A648-P650 VanDerWaalsContact O-CD 3.24Å; A648-P650 WeakPolarHBondContact O-CD 3.28Å; P650-I653 HydrophobicContact CB-CD1 4.24Å; P650-I653 HydrophobicContact CB-CG1 3.85Å; P650-I653 HydrophobicContact CG-CD1 4.36Å; P650-I653 HydrophobicContact CG-CG1 4.44Å
651	D	93.1	Very high	81.2	Confident	41 Å²	41	48.1 Å²	48.1	22%	0.219	25%	0.253	C	S	.	.	S	Bend	trans	-73.7	-42.3	171.8	-70.7	-95.4	0	0	0	109.7	K612 C615 L616 K637 T649	K612-D651 IonicContact NZ-OD1 3.74Å; K612-D651 PolarHBondContact NZ-OD1 3.27Å; K612-D651 IonicContact NZ-OD2 2.77Å; K612-D651 PolarHBondContact NZ-OD2 3.44Å; C615-D651 HydrophobicContact CB-CB 4Å; C615-D651 VanDerWaalsContact CB-OD2 3.27Å; C615-D651 WeakPolarHBondContact CB-OD2 3.36Å; L616-D651 PolarHBondContact O-N 3.2Å; K637-D651 PolarHBondContact NZ-O 2.79Å; T649-D651 PolarHBondContact O-N 3.32Å
652	F	94.7	Very high	80.6	Confident	76 Å²	76	43.5 Å²	43.5	33%	0.333	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.8	179.3	-55.4	-85.5	0	0	0	111.3	L616 Y617 C618	L616-F652 PolarHBondContact O-N 2.97Å; Y617-F652 HydrophobicContact CD1-CB 4.28Å; Y617-F652 HydrophobicContact CD2-CB 3.41Å; Y617-F652 VanDerWaalsContact CD2-CB 3.41Å; Y617-F652 HydrophobicContact CD2-CD1 4.46Å; Y617-F652 AromaticContact CD2-CD2 3.59Å; Y617-F652 HydrophobicContact CD2-CD2 3.59Å; Y617-F652 AromaticContact CD2-CG 3.56Å; Y617-F652 HydrophobicContact CD2-CG 3.56Å; Y617-F652 HydrophobicContact CE1-CB 4.32Å; Y617-F652 HydrophobicContact CE2-CB 3.5Å; Y617-F652 VanDerWaalsContact CE2-CB 3.5Å; Y617-F652 HydrophobicContact CE2-CD1 4.07Å; Y617-F652 HydrophobicContact CE2-CD2 4.02Å; Y617-F652 AromaticContact CE2-CG 3.58Å; Y617-F652 HydrophobicContact CE2-CG 3.58Å; Y617-F652 HydrophobicContact CG-CB 3.83Å; Y617-F652 HydrophobicContact CG-CD2 4.47Å; Y617-F652 HydrophobicContact CG-CG 4.42Å; C618-F652 PolarHBondContact N-O 3.2Å
653	I	96.5	Very high	79.9	Confident	20 Å²	20	39.1 Å²	39.1	10%	0.103	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.1	165	-54.5	-171.9	0	0	0	106.9	C618 V620 F628 V633 L636 K637 P650	C618-I653 HydrophobicContact CB-CG1 4.26Å; C618-I653 CarbonylContact O-C 3.53Å; C618-I653 WeakPolarHBondContact O-CA 3.5Å; V620-I653 HydrophobicContact CB-CG2 4.35Å; V620-I653 HydrophobicContact CG2-CG2 3.75Å; F628-I653 HydrophobicContact CE2-CG2 3.97Å; F628-I653 HydrophobicContact CZ-CG2 3.89Å; V633-I653 HydrophobicContact CG1-CB 4.18Å; V633-I653 HydrophobicContact CG1-CD1 4.44Å; V633-I653 HydrophobicContact CG1-CG1 4.48Å; V633-I653 HydrophobicContact CG2-CB 4.37Å; L636-I653 HydrophobicContact CB-CD1 3.61Å; L636-I653 HydrophobicContact CD1-CG2 4.26Å; K637-I653 HydrophobicContact CG-CD1 3.64Å; K637-I653 HydrophobicContact CG-CG1 4.26Å; P650-I653 HydrophobicContact CB-CD1 4.24Å; P650-I653 HydrophobicContact CB-CG1 3.85Å; P650-I653 HydrophobicContact CG-CD1 4.36Å; P650-I653 HydrophobicContact CG-CG1 4.44Å
654	Q	95	Very high	78.9	Confident	54 Å²	54	37.1 Å²	37.1	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.1	-178.5	-174.4	-177	-67.4	0	0	110.2	Y617 C618 F619 V620 A656	Y617-Q654 HydrophobicContact CE1-CB 3.77Å; Y617-Q654 PolarHBondContact OH-OE1 3.44Å; C618-Q654 PolarHBondContact O-N 2.91Å; F619-Q654 WeakPolarHBondContact CA-O 3.5Å; F619-Q654 HydrophobicContact CD1-CB 4.25Å; F619-Q654 HydrophobicContact CE1-CB 4.49Å; V620-Q654 PolarHBondContact N-O 3.19Å; Q654-A656 PolarHBondContact O-N 3.02Å
655	N	92.5	Very high	78.4	Confident	57 Å²	57	36.2 Å²	36.2	31%	0.305	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	125.1	168.8	-166.8	9.2	0	0	0	110.7	F628	F628-N655 HydrophobicContact CB-CB 4.03Å; F628-N655 HydrophobicContact CD1-CB 3.6Å; F628-N655 HydrophobicContact CD2-CB 3.79Å; F628-N655 HydrophobicContact CE1-CB 3.92Å; F628-N655 HydrophobicContact CE2-CB 4.11Å; F628-N655 HydrophobicContact CG-CB 3.52Å; F628-N655 HydrophobicContact CZ-CB 4.17Å; F628-N655 VanDerWaalsContact CZ-N 3.3Å
656	A	90.5	Very high	79	Confident	8 Å²	8	40.4 Å²	40.4	7%	0.066	23%	0.226	C	C	.	.			trans	-128.4	92.7	172.5	0	0	0	0	0	108.3	F619 V620 T621 Q654 A658 L659	F619-A656 HydrophobicContact CB-CB 3.9Å; F619-A656 HydrophobicContact CD1-CB 4.29Å; V620-A656 PolarHBondContact O-N 3.09Å; T621-A656 VanDerWaalsContact CA-O 3.29Å; T621-A656 WeakPolarHBondContact CA-O 3.27Å; T621-A656 VanDerWaalsContact CB-O 3.3Å; T621-A656 WeakPolarHBondContact CB-O 3.22Å; T621-A656 PolarHBondContact OG1-O 3.29Å; Q654-A656 PolarHBondContact O-N 3.02Å; A656-A658 PolarHBondContact O-N 3.46Å; A656-L659 HydrophobicContact CB-CD2 3.96Å
657	P	82.3	Confident	79.6	Confident	99 Å²	99	37.8 Å²	37.8	64%	0.643	21%	0.206	S	C	*	.	S	Bend	trans	-56.8	-25.1	179.4	-26.9	35.4	0	0	0	113.8	T621	T621-P657 WeakPolarHBondContact CG2-O 3.44Å
658	A	80.9	Confident	80.4	Confident	42 Å²	42	36.3 Å²	36.3	35%	0.347	20%	0.199	S	C	.	.	S	Bend	trans	-142.7	142.3	167.3	0	0	0	0	0	109.8	A656 E693	A656-A658 PolarHBondContact O-N 3.46Å; A658-E693 HydrophobicContact CB-CB 4.47Å; A658-E693 HydrophobicContact CB-CG 4.04Å
659	L	86.1	Confident	80.7	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.207	C	C	.	.			trans	-93.7	137.3	173.7	-68.7	172.5	0	0	0	110	E601 A603 F619 A656 K661 I667 L672	E601-L659 HydrophobicContact CB-CD1 3.79Å; A603-L659 HydrophobicContact CB-CD1 3.91Å; A603-L659 HydrophobicContact CB-CD2 3.73Å; A603-L659 HydrophobicContact CB-CG 4.44Å; F619-L659 HydrophobicContact CB-CD2 3.72Å; A656-L659 HydrophobicContact CB-CD2 3.96Å; L659-K661 PolarHBondContact O-N 3.3Å; L659-K661 VanDerWaalsContact O-N 3.09Å; L659-I667 HydrophobicContact CD1-CD1 4.01Å; L659-L672 HydrophobicContact CD2-CD1 4.26Å
660	P	82.3	Confident	80.6	Confident	18 Å²	18	41.4 Å²	41.4	12%	0.117	22%	0.215	C	C	.	.			trans	-67.4	112.1	179.9	28.2	-33.3	0	0	0	109.5	I667 M668 I671 L672 L688	P660-I667 CarbonylContact O-C 3.56Å; P660-I667 WeakPolarHBondContact O-CA 3.23Å; P660-M668 HydrophobicContact CB-CB 4.49Å; P660-M668 PolarHBondContact O-N 3.11Å; P660-I671 HydrophobicContact CB-CD1 4.43Å; P660-L672 HydrophobicContact CG-CD1 4.34Å; P660-L672 HydrophobicContact CG-CD2 3.67Å; P660-L672 HydrophobicContact CG-CG 3.76Å; P660-L688 HydrophobicContact CB-CD2 3.67Å
661	K	78.2	Confident	80.2	Confident	41 Å²	41	41.4 Å²	41.4	18%	0.178	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-117.8	144	-179.8	-67.8	170.9	-157.7	167.1	0	111.5	E601 L659 G665 K666 I667 L688 A689	E601-K661 IonicContact OE1-NZ 2.83Å; E601-K661 PolarHBondContact OE1-NZ 3.31Å; E601-K661 IonicContact OE2-NZ 2.76Å; E601-K661 PolarHBondContact OE2-NZ 2.79Å; L659-K661 PolarHBondContact O-N 3.3Å; L659-K661 VanDerWaalsContact O-N 3.09Å; K661-G665 WeakPolarHBondContact CG-O 3.4Å; K661-K666 CarbonylContact C-O 3.43Å; K661-K666 VanDerWaalsContact CA-O 3.27Å; K661-K666 WeakPolarHBondContact CA-O 3.24Å; K661-I667 HydrophobicContact CG-CG1 4.05Å; K661-L688 CarbonylContact O-C 3.59Å; K661-L688 VanDerWaalsContact O-CA 3.28Å; K661-L688 WeakPolarHBondContact O-CA 3.45Å; K661-L688 WeakPolarHBondContact O-CD2 3.36Å; K661-A689 PolarHBondContact O-N 3.33Å
662	T	70	Confident	80	Confident	16 Å²	16	39.7 Å²	39.7	10%	0.098	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-63.1	166.6	165.5	66.9	0	0	0	0	109.8	S664 G665 K666 M668 T687	T662-S664 PolarHBondContact O-N 3.37Å; T662-S664 PolarHBondContact OG1-N 3.29Å; T662-S664 PolarHBondContact OG1-OG 3Å; T662-G665 WeakPolarHBondContact O-CA 3.1Å; T662-G665 PolarHBondContact O-N 3.23Å; T662-G665 PolarHBondContact OG1-N 2.86Å; T662-K666 HydrophobicContact CG2-CB 4.19Å; T662-K666 PolarHBondContact N-O 3.41Å; T662-K666 WeakPolarHBondContact OG1-CB 3.36Å; T662-K666 PolarHBondContact OG1-N 3.22Å; T662-M668 HydrophobicContact CG2-CG 3.69Å; T662-M668 HydrophobicContact CG2-SD 4.05Å; T662-T687 CarbonylContact C-O 3.57Å; T662-T687 WeakPolarHBondContact CA-O 3.44Å
663	R	54.6	Low	79.7	Confident	46 Å²	46	38.4 Å²	38.4	17%	0.174	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.9	172.4	-71.5	166.6	-176.9	-162.1	29.6	114.4	F210 G212 G665 T687 L688 A689	F210-R663 HydrophobicContact CE1-CB 4.05Å; F210-R663 HydrophobicContact CE1-CG 4.46Å; F210-R663 HydrophobicContact CZ-CB 4.11Å; G212-R663 PolarHBondContact O-NH1 3.3Å; G212-R663 PolarHBondContact O-NH2 2.84Å; R663-G665 VanDerWaalsContact C-N 3.28Å; R663-T687 PolarHBondContact N-O 2.84Å; R663-T687 VanDerWaalsContact N-O 3.08Å; R663-L688 PolarHBondContact NE-O 3.03Å; R663-A689 HydrophobicContact CG-CB 4.25Å
664	S	49.8	Very low	79.1	Confident	50 Å²	50	38.8 Å²	38.8	35%	0.35	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.1	170.2	68.1	0	0	0	0	113	T416 T662	T416-S664 PolarHBondContact OG1-O 3.13Å; T662-S664 PolarHBondContact O-N 3.37Å; T662-S664 PolarHBondContact OG1-N 3.29Å; T662-S664 PolarHBondContact OG1-OG 3Å
665	G	55.6	Low	78.8	Confident	8 Å²	8	38.9 Å²	38.9	8%	0.082	20%	0.201	C	C	.	.	S	Bend	trans	95.8	-5.9	179.2	0	0	0	0	0	116.4	T416 E445 K661 T662 R663 I667	T416-G665 WeakPolarHBondContact OG1-CA 3.4Å; E445-G665 VanDerWaalsContact OE1-C 3.31Å; K661-G665 WeakPolarHBondContact CG-O 3.4Å; T662-G665 WeakPolarHBondContact O-CA 3.1Å; T662-G665 PolarHBondContact O-N 3.23Å; T662-G665 PolarHBondContact OG1-N 2.86Å; R663-G665 VanDerWaalsContact C-N 3.28Å; G665-I667 PolarHBondContact O-N 3.38Å
666	K	72.4	Confident	78.6	Confident	99 Å²	99	36.2 Å²	36.2	43%	0.43	19%	0.187	S	C	.	.			trans	-70.4	121.5	-175.6	-174.7	176.6	179.2	171.1	0	111.2	E445 K661 T662 M668	E445-K666 WeakPolarHBondContact OE1-CA 3.45Å; E445-K666 WeakPolarHBondContact OE1-CB 3.48Å; E445-K666 PolarHBondContact OE1-N 3.01Å; K661-K666 CarbonylContact C-O 3.43Å; K661-K666 VanDerWaalsContact CA-O 3.27Å; K661-K666 WeakPolarHBondContact CA-O 3.24Å; T662-K666 HydrophobicContact CG2-CB 4.19Å; T662-K666 PolarHBondContact N-O 3.41Å; T662-K666 WeakPolarHBondContact OG1-CB 3.36Å; T662-K666 PolarHBondContact OG1-N 3.22Å; K666-M668 PolarHBondContact O-N 2.92Å
667	I	80.1	Confident	78.4	Confident	27 Å²	27	40.6 Å²	40.6	14%	0.138	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-60.2	123.2	172.8	-61.4	166.7	0	0	0	109.1	A603 L659 P660 K661 G665 R669 L672	A603-I667 HydrophobicContact CB-CD1 4.29Å; A603-I667 HydrophobicContact CB-CG2 3.86Å; L659-I667 HydrophobicContact CD1-CD1 4.01Å; P660-I667 CarbonylContact O-C 3.56Å; P660-I667 WeakPolarHBondContact O-CA 3.23Å; K661-I667 HydrophobicContact CG-CG1 4.05Å; G665-I667 PolarHBondContact O-N 3.38Å; I667-R669 VanDerWaalsContact C-N 3.3Å; I667-R669 HydrophobicContact CG2-CG 4.1Å; I667-R669 PolarHBondContact O-N 2.87Å; I667-L672 HydrophobicContact CG2-CD1 3.76Å
668	M	79.2	Confident	78.5	Confident	27 Å²	27	42.4 Å²	42.4	13%	0.133	21%	0.206	C	C	.	.			trans	-81.6	73.4	179.1	-68.1	-166.6	72.3	0	0	110.9	P660 T662 K666 R670 I671 L672 T687 L688	P660-M668 HydrophobicContact CB-CB 4.49Å; P660-M668 PolarHBondContact O-N 3.11Å; T662-M668 HydrophobicContact CG2-CG 3.69Å; T662-M668 HydrophobicContact CG2-SD 4.05Å; K666-M668 PolarHBondContact O-N 2.92Å; M668-R670 PolarHBondContact O-N 2.88Å; M668-R670 VanDerWaalsContact O-N 3.13Å; M668-I671 HydrophobicContact CB-CD1 3.78Å; M668-I671 HydrophobicContact CB-CG1 4.21Å; M668-I671 HydrophobicContact CE-CD1 3.81Å; M668-I671 HydrophobicContact CE-CG1 4.39Å; M668-I671 HydrophobicContact CG-CD1 4.4Å; M668-I671 PolarHBondContact O-N 3.11Å; M668-I671 HydrophobicContact SD-CD1 3.76Å; M668-L672 PolarHBondContact O-N 3.32Å; M668-T687 WeakPolarHBondContact CE-OG1 3.46Å; M668-T687 PolarHBondContact SD-OG1 3.43Å; M668-L688 HydrophobicContact CB-CD2 4.49Å; M668-L688 HydrophobicContact CG-CD2 4.05Å; M668-L688 HydrophobicContact SD-CD2 3.32Å; M668-L688 WeakPolarHBondContact SD-CD2 3.48Å; M668-L688 HydrophobicContact SD-CG 3.82Å
669	R	82.3	Confident	78.6	Confident	45 Å²	45	44.2 Å²	44.2	17%	0.17	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-27.6	-178.4	-69.9	-174.6	-178	77.4	2	114.1	E590 V605 I667 I671 L672 R673	E590-R669 IonicContact OE1-CZ 3.11Å; E590-R669 IonicContact OE1-NE 3.38Å; E590-R669 PolarHBondContact OE1-NE 2.86Å; E590-R669 IonicContact OE1-NH2 3.7Å; E590-R669 PolarHBondContact OE1-NH2 3.16Å; E590-R669 IonicContact OE2-CZ 3.44Å; E590-R669 IonicContact OE2-NH2 2.66Å; E590-R669 PolarHBondContact OE2-NH2 3.18Å; V605-R669 HydrophobicContact CG1-CB 4.14Å; V605-R669 HydrophobicContact CG1-CG 4.4Å; I667-R669 VanDerWaalsContact C-N 3.3Å; I667-R669 HydrophobicContact CG2-CG 4.1Å; I667-R669 PolarHBondContact O-N 2.87Å; R669-I671 VanDerWaalsContact C-N 3.32Å; R669-I671 PolarHBondContact O-N 2.93Å; R669-L672 PolarHBondContact O-N 3.44Å; R669-R673 VanDerWaalsContact O-CB 3.3Å; R669-R673 WeakPolarHBondContact O-CB 3.33Å; R669-R673 PolarHBondContact O-N 2.86Å
670	R	83.5	Confident	78.1	Confident	91 Å²	91	53.7 Å²	53.7	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-51.8	-50.8	171	-173.4	-175.8	71.7	75	1.2	111.3	M668 R673 Q674 L682 D684	M668-R670 PolarHBondContact O-N 2.88Å; M668-R670 VanDerWaalsContact O-N 3.13Å; R670-R673 WeakPolarHBondContact O-CB 3.41Å; R670-R673 PolarHBondContact O-N 2.8Å; R670-Q674 WeakPolarHBondContact O-CG 3.27Å; R670-Q674 PolarHBondContact O-N 2.79Å; R670-L682 VanDerWaalsContact CZ-O 3.31Å; R670-L682 PolarHBondContact NH1-O 3.04Å; R670-L682 PolarHBondContact NH2-O 3.42Å; R670-D684 PolarHBondContact NH2-O 3.48Å
671	I	84.6	Confident	78	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-46	-178.6	-59.9	169.6	0	0	0	110	P660 M668 R669 R673 Q674 I675 L682 L685 L688	P660-I671 HydrophobicContact CB-CD1 4.43Å; M668-I671 HydrophobicContact CB-CD1 3.78Å; M668-I671 HydrophobicContact CB-CG1 4.21Å; M668-I671 HydrophobicContact CE-CD1 3.81Å; M668-I671 HydrophobicContact CE-CG1 4.39Å; M668-I671 HydrophobicContact CG-CD1 4.4Å; M668-I671 PolarHBondContact O-N 3.11Å; M668-I671 HydrophobicContact SD-CD1 3.76Å; R669-I671 VanDerWaalsContact C-N 3.32Å; R669-I671 PolarHBondContact O-N 2.93Å; I671-R673 VanDerWaalsContact C-N 3.26Å; I671-R673 PolarHBondContact O-N 3.16Å; I671-Q674 PolarHBondContact O-N 3.4Å; I671-I675 HydrophobicContact CG2-CD1 3.9Å; I671-I675 HydrophobicContact CG2-CG1 4.45Å; I671-I675 WeakPolarHBondContact O-CG1 3.21Å; I671-I675 PolarHBondContact O-N 3.46Å; I671-L682 HydrophobicContact CG2-CD1 4.26Å; I671-L682 HydrophobicContact CG2-CD2 4.41Å; I671-L685 HydrophobicContact CD1-CD2 3.41Å; I671-L685 VanDerWaalsContact CD1-CD2 3.41Å; I671-L685 HydrophobicContact CG1-CD2 4Å; I671-L688 HydrophobicContact CD1-CD1 4.31Å; I671-L688 HydrophobicContact CD1-CD2 4.21Å; I671-L688 HydrophobicContact CD1-CG 4.48Å
672	L	89.6	Confident	77.8	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-37.4	178.2	-67.7	179.9	0	0	0	112.2	A603 V605 F619 L659 P660 I667 M668 R669 I675 A676	A603-L672 HydrophobicContact CB-CD1 3.41Å; A603-L672 VanDerWaalsContact CB-CD1 3.41Å; V605-L672 HydrophobicContact CG1-CB 3.72Å; F619-L672 HydrophobicContact CD1-CD2 4.05Å; F619-L672 HydrophobicContact CD2-CB 4.04Å; F619-L672 HydrophobicContact CD2-CD1 4.08Å; F619-L672 HydrophobicContact CD2-CD2 3.92Å; F619-L672 HydrophobicContact CD2-CG 4.24Å; F619-L672 HydrophobicContact CE1-CD2 4.11Å; F619-L672 HydrophobicContact CE2-CB 3.69Å; F619-L672 HydrophobicContact CE2-CD2 3.99Å; F619-L672 HydrophobicContact CE2-CG 4.29Å; F619-L672 HydrophobicContact CG-CD2 3.94Å; F619-L672 HydrophobicContact CZ-CB 4.25Å; F619-L672 HydrophobicContact CZ-CD2 4.08Å; F619-L672 WeakPolarHBondContact CZ-O 3.33Å; L659-L672 HydrophobicContact CD2-CD1 4.26Å; P660-L672 HydrophobicContact CG-CD1 4.34Å; P660-L672 HydrophobicContact CG-CD2 3.67Å; P660-L672 HydrophobicContact CG-CG 3.76Å; I667-L672 HydrophobicContact CG2-CD1 3.76Å; M668-L672 PolarHBondContact O-N 3.32Å; R669-L672 PolarHBondContact O-N 3.44Å; L672-I675 PolarHBondContact O-N 2.79Å; L672-A676 WeakPolarHBondContact O-CB 3.49Å; L672-A676 PolarHBondContact O-N 2.97Å
673	R	87.1	Confident	78.1	Confident	49 Å²	49	59.5 Å²	59.5	19%	0.185	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-42.7	176.4	-164.5	-178.5	-52.7	-173.3	-0.4	111.9	D574 D575 V605 R669 R670 I671 I675 A676 R677	D574-R673 PolarHBondContact O-NH1 3.03Å; D574-R673 PolarHBondContact O-NH2 3.12Å; D575-R673 IonicContact OD1-CZ 3.87Å; D575-R673 IonicContact OD1-NH2 2.68Å; D575-R673 PolarHBondContact OD1-NH2 3.44Å; V605-R673 HydrophobicContact CB-CB 4.23Å; V605-R673 HydrophobicContact CB-CG 4.5Å; V605-R673 HydrophobicContact CG1-CB 4.35Å; R669-R673 VanDerWaalsContact O-CB 3.3Å; R669-R673 WeakPolarHBondContact O-CB 3.33Å; R669-R673 PolarHBondContact O-N 2.86Å; R670-R673 WeakPolarHBondContact O-CB 3.41Å; R670-R673 PolarHBondContact O-N 2.8Å; I671-R673 VanDerWaalsContact C-N 3.26Å; I671-R673 PolarHBondContact O-N 3.16Å; R673-I675 VanDerWaalsContact C-N 3.35Å; R673-A676 PolarHBondContact O-N 3.22Å; R673-R677 WeakPolarHBondContact O-CB 3.47Å; R673-R677 VanDerWaalsContact O-CG 3.24Å; R673-R677 WeakPolarHBondContact O-CG 3.41Å; R673-R677 PolarHBondContact O-N 2.77Å
674	Q	84.8	Confident	78.7	Confident	29 Å²	29	60.7 Å²	60.7	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-42.2	174.1	-67.2	-171.5	-63.8	0	0	111.5	R670 I671 R677 N678 E679 D681 L682	R670-Q674 WeakPolarHBondContact O-CG 3.27Å; R670-Q674 PolarHBondContact O-N 2.79Å; I671-Q674 PolarHBondContact O-N 3.4Å; Q674-R677 CarbonylContact O-C 3.56Å; Q674-R677 PolarHBondContact O-N 3.08Å; Q674-N678 PolarHBondContact O-N 3.25Å; Q674-N678 VanDerWaalsContact O-N 3.09Å; Q674-E679 HydrophobicContact CB-CB 4.05Å; Q674-E679 VanDerWaalsContact CG-OE2 3.27Å; Q674-E679 WeakPolarHBondContact CG-OE2 3.39Å; Q674-E679 PolarHBondContact NE2-OE2 3.23Å; Q674-E679 PolarHBondContact O-N 3.45Å; Q674-D681 PolarHBondContact NE2-O 3.11Å; Q674-L682 HydrophobicContact CB-CD2 3.78Å; Q674-L682 VanDerWaalsContact OE1-CA 3.31Å; Q674-L682 PolarHBondContact OE1-O 3.4Å
675	I	88.4	Confident	79.9	Confident	55 Å²	55	59.8 Å²	59.8	28%	0.282	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-48	173.3	-67.8	168.3	0	0	0	110.7	F619 I671 L672 R673 R677 N678 L682	F619-I675 HydrophobicContact CE1-CG2 4.07Å; F619-I675 HydrophobicContact CZ-CB 4.38Å; F619-I675 HydrophobicContact CZ-CG2 4.07Å; I671-I675 HydrophobicContact CG2-CD1 3.9Å; I671-I675 HydrophobicContact CG2-CG1 4.45Å; I671-I675 WeakPolarHBondContact O-CG1 3.21Å; I671-I675 PolarHBondContact O-N 3.46Å; L672-I675 PolarHBondContact O-N 2.79Å; R673-I675 VanDerWaalsContact C-N 3.35Å; I675-R677 PolarHBondContact O-N 3.19Å; I675-N678 PolarHBondContact O-N 3.28Å; I675-L682 HydrophobicContact CG1-CD2 4.14Å
676	A	88.4	Confident	80.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-27.3	178.2	0	0	0	0	0	112.9	V605 R607 Y617 F619 L672 R673	V605-A676 HydrophobicContact CG2-CB 3.77Å; R607-A676 WeakPolarHBondContact CD-O 3.4Å; R607-A676 PolarHBondContact NE-O 2.83Å; R607-A676 VanDerWaalsContact NE-O 3.08Å; Y617-A676 HydrophobicContact CD1-CB 4.07Å; Y617-A676 HydrophobicContact CD2-CB 3.83Å; Y617-A676 HydrophobicContact CE2-CB 4.29Å; Y617-A676 HydrophobicContact CG-CB 3.71Å; F619-A676 HydrophobicContact CZ-CB 4.38Å; L672-A676 WeakPolarHBondContact O-CB 3.49Å; L672-A676 PolarHBondContact O-N 2.97Å; R673-A676 PolarHBondContact O-N 3.22Å
677	R	87	Confident	79.9	Confident	101 Å²	101	56.8 Å²	56.8	38%	0.381	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.6	174.9	-69.7	173.2	-177.9	-167.8	-2.3	114	R673 Q674 I675 E679	R673-R677 WeakPolarHBondContact O-CB 3.47Å; R673-R677 VanDerWaalsContact O-CG 3.24Å; R673-R677 WeakPolarHBondContact O-CG 3.41Å; R673-R677 PolarHBondContact O-N 2.77Å; Q674-R677 CarbonylContact O-C 3.56Å; Q674-R677 PolarHBondContact O-N 3.08Å; I675-R677 PolarHBondContact O-N 3.19Å; R677-E679 VanDerWaalsContact C-N 3.27Å; R677-E679 HydrophobicContact CB-CG 4.05Å; R677-E679 VanDerWaalsContact CD-OE1 3.3Å; R677-E679 WeakPolarHBondContact CD-OE1 3.48Å; R677-E679 PolarHBondContact O-N 3.02Å
678	N	84.5	Confident	79.5	Confident	136 Å²	136	55.6 Å²	55.6	73%	0.727	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	34.1	-173.5	-63	-43	0	0	0	113.8	Q674 I675	Q674-N678 PolarHBondContact O-N 3.25Å; Q674-N678 VanDerWaalsContact O-N 3.09Å; I675-N678 PolarHBondContact O-N 3.28Å
679	E	82	Confident	78.7	Confident	80 Å²	80	56.8 Å²	56.8	37%	0.374	29%	0.287	S	S	.	.			trans	-75	139.9	173.4	-67.7	174.8	-149.6	0	0	110.8	Q674 R677	Q674-E679 HydrophobicContact CB-CB 4.05Å; Q674-E679 VanDerWaalsContact CG-OE2 3.27Å; Q674-E679 WeakPolarHBondContact CG-OE2 3.39Å; Q674-E679 PolarHBondContact NE2-OE2 3.23Å; Q674-E679 PolarHBondContact O-N 3.45Å; R677-E679 VanDerWaalsContact C-N 3.27Å; R677-E679 HydrophobicContact CB-CG 4.05Å; R677-E679 VanDerWaalsContact CD-OE1 3.3Å; R677-E679 WeakPolarHBondContact CD-OE1 3.48Å; R677-E679 PolarHBondContact O-N 3.02Å
680	K	75.9	Confident	77.8	Confident	201 Å²	201	57.8 Å²	57.8	87%	0.874	30%	0.296	S	S	*	.	S	Bend	trans	-87.9	-28.2	-177.6	-68.8	-174.8	178.8	-180	0	113.7
681	D	79.2	Confident	76.2	Confident	122 Å²	122	56.1 Å²	56.1	65%	0.652	30%	0.297	S	S	*	.			trans	-98.3	112.1	178.1	-177.2	6.1	0	0	0	109.7	Q674 G683	Q674-D681 PolarHBondContact NE2-O 3.11Å; D681-G683 PolarHBondContact OD1-N 3.14Å
682	L	75.9	Confident	74.5	Confident	35 Å²	35	63.4 Å²	63.4	18%	0.183	33%	0.329	C	S	.	.			trans	-91.6	-2.3	-179.1	-58	178.8	0	0	0	112.6	R670 I671 Q674 I675 L685	R670-L682 VanDerWaalsContact CZ-O 3.31Å; R670-L682 PolarHBondContact NH1-O 3.04Å; R670-L682 PolarHBondContact NH2-O 3.42Å; I671-L682 HydrophobicContact CG2-CD1 4.26Å; I671-L682 HydrophobicContact CG2-CD2 4.41Å; Q674-L682 HydrophobicContact CB-CD2 3.78Å; Q674-L682 VanDerWaalsContact OE1-CA 3.31Å; Q674-L682 PolarHBondContact OE1-O 3.4Å; I675-L682 HydrophobicContact CG1-CD2 4.14Å; L682-L685 HydrophobicContact CB-CD2 4.21Å
683	G	74.8	Confident	72.5	Confident	40 Å²	40	66.9 Å²	66.9	41%	0.412	35%	0.345	S	S	.	.			trans	63.6	-155	-174.8	0	0	0	0	0	113.6	D681 L685	D681-G683 PolarHBondContact OD1-N 3.14Å; G683-L685 PolarHBondContact O-N 2.96Å
684	D	66.7	Low	70.5	Confident	71 Å²	71	68.2 Å²	68.2	38%	0.38	35%	0.353	S	S	.	.			trans	-68.9	129.4	-177.6	-174	14.3	0	0	0	112.8	S217 R670 S686	S217-D684 PolarHBondContact OG-OD2 3.01Å; R670-D684 PolarHBondContact NH2-O 3.48Å; D684-S686 VanDerWaalsContact CG-OG 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.06Å; D684-S686 PolarHBondContact OD1-N 3.27Å; D684-S686 PolarHBondContact OD1-OG 3.37Å; D684-S686 PolarHBondContact OD2-OG 2.97Å
685	L	76	Confident	68.2	Low	31 Å²	31	76.2 Å²	76.2	16%	0.162	38%	0.382	C	S	.	.			trans	-114.4	2	-179.2	-57.9	-176.5	0	0	0	113	I671 L682 G683 T687 L688 H694	I671-L685 HydrophobicContact CD1-CD2 3.41Å; I671-L685 VanDerWaalsContact CD1-CD2 3.41Å; I671-L685 HydrophobicContact CG1-CD2 4Å; L682-L685 HydrophobicContact CB-CD2 4.21Å; G683-L685 PolarHBondContact O-N 2.96Å; L685-T687 PolarHBondContact O-N 3.36Å; L685-L688 HydrophobicContact CB-CD1 4.01Å; L685-L688 HydrophobicContact CD2-CD1 4.25Å; L685-L688 WeakPolarHBondContact O-CB 3.37Å; L685-L688 WeakPolarHBondContact O-CG 3.13Å; L685-L688 PolarHBondContact O-N 3.08Å; L685-L688 VanDerWaalsContact O-N 3.13Å; L685-H694 VanDerWaalsContact CD1-CE1 3.44Å; L685-H694 WeakPolarHBondContact CD1-CE1 3.46Å
686	S	62.6	Low	65.6	Low	17 Å²	17	84.6 Å²	84.6	12%	0.119	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.2	-173.1	66.6	0	0	0	0	114.3	S217 D684 L688	S217-S686 PolarHBondContact OG-OG 2.9Å; D684-S686 VanDerWaalsContact CG-OG 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.06Å; D684-S686 PolarHBondContact OD1-N 3.27Å; D684-S686 PolarHBondContact OD1-OG 3.37Å; D684-S686 PolarHBondContact OD2-OG 2.97Å; S686-L688 PolarHBondContact O-N 3.5Å
687	T	66.3	Low	63	Low	27 Å²	27	92.7 Å²	92.7	17%	0.166	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.1	-179	69.6	0	0	0	0	113.4	F213 T662 R663 M668 L685	F213-T687 HydrophobicContact CD1-CG2 3.9Å; F213-T687 HydrophobicContact CE1-CG2 3.33Å; F213-T687 HydrophobicContact CZ-CG2 4.06Å; T662-T687 CarbonylContact C-O 3.57Å; T662-T687 WeakPolarHBondContact CA-O 3.44Å; R663-T687 PolarHBondContact N-O 2.84Å; R663-T687 VanDerWaalsContact N-O 3.08Å; M668-T687 WeakPolarHBondContact CE-OG1 3.46Å; M668-T687 PolarHBondContact SD-OG1 3.43Å; L685-T687 PolarHBondContact O-N 3.36Å
688	L	70.7	Confident	60.3	Low	2 Å²	2	91.6 Å²	91.6	1%	0.01	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-63.3	143.1	178.9	-69.3	174.8	0	0	0	112	P660 K661 R663 M668 I671 L685 S686	P660-L688 HydrophobicContact CB-CD2 3.67Å; K661-L688 CarbonylContact O-C 3.59Å; K661-L688 VanDerWaalsContact O-CA 3.28Å; K661-L688 WeakPolarHBondContact O-CA 3.45Å; K661-L688 WeakPolarHBondContact O-CD2 3.36Å; R663-L688 PolarHBondContact NE-O 3.03Å; M668-L688 HydrophobicContact CB-CD2 4.49Å; M668-L688 HydrophobicContact CG-CD2 4.05Å; M668-L688 HydrophobicContact SD-CD2 3.32Å; M668-L688 WeakPolarHBondContact SD-CD2 3.48Å; M668-L688 HydrophobicContact SD-CG 3.82Å; I671-L688 HydrophobicContact CD1-CD1 4.31Å; I671-L688 HydrophobicContact CD1-CD2 4.21Å; I671-L688 HydrophobicContact CD1-CG 4.48Å; L685-L688 HydrophobicContact CB-CD1 4.01Å; L685-L688 HydrophobicContact CD2-CD1 4.25Å; L685-L688 WeakPolarHBondContact O-CB 3.37Å; L685-L688 WeakPolarHBondContact O-CG 3.13Å; L685-L688 PolarHBondContact O-N 3.08Å; L685-L688 VanDerWaalsContact O-N 3.13Å; S686-L688 PolarHBondContact O-N 3.5Å
689	A	62.8	Low	57.6	Low	52 Å²	52	96.9 Å²	96.9	43%	0.43	48%	0.475	S	S	.	.	S	Bend	trans	-63.7	-42.6	173.2	0	0	0	0	0	111.6	K661 R663	K661-A689 PolarHBondContact O-N 3.33Å; R663-A689 HydrophobicContact CG-CB 4.25Å
690	D	62.7	Low	55.1	Low	67 Å²	67	101.9 Å²	101.9	36%	0.358	50%	0.498	S	S	.	.			trans	-130.4	105.2	170.8	-176	0.9	0	0	0	111.2	K692 E693	D690-K692 PolarHBondContact O-N 3.11Å; D690-K692 VanDerWaalsContact O-N 3.11Å; D690-K692 WeakPolarHBondContact OD1-CB 3.5Å; D690-K692 PolarHBondContact OD1-N 3.36Å; D690-E693 HydrophobicContact CB-CG 3.88Å; D690-E693 PolarHBondContact O-N 3.07Å
691	P	50.1	Low	52.8	Low	55 Å²	55	100.2 Å²	100.2	36%	0.357	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.5	175.8	-19.6	31.2	0	0	0	113.8	H694	P691-H694 PolarHBondContact O-CE1 3.39Å; P691-H694 PolarHBondContact O-ND1 3.11Å
692	K	48.7	Very low	50.2	Low	157 Å²	157	97.7 Å²	97.7	68%	0.683	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-12.3	178	-66.8	-179.7	-179	174.7	0	113.2	D690 H694 R695 R696	D690-K692 PolarHBondContact O-N 3.11Å; D690-K692 VanDerWaalsContact O-N 3.11Å; D690-K692 WeakPolarHBondContact OD1-CB 3.5Å; D690-K692 PolarHBondContact OD1-N 3.36Å; K692-H694 VanDerWaalsContact C-N 3.28Å; K692-H694 PolarHBondContact O-N 2.81Å; K692-R695 PolarHBondContact O-N 2.83Å; K692-R696 PolarHBondContact O-N 3.05Å
693	E	47.3	Very low	47.8	Very low	76 Å²	76	104 Å²	104	36%	0.355	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-61	-33.3	-177.9	-79.1	-177.9	161.3	0	0	113.2	A658 D690 R695	A658-E693 HydrophobicContact CB-CB 4.47Å; A658-E693 HydrophobicContact CB-CG 4.04Å; D690-E693 HydrophobicContact CB-CG 3.88Å; D690-E693 PolarHBondContact O-N 3.07Å; E693-R695 VanDerWaalsContact C-N 3.33Å; E693-R695 PolarHBondContact O-N 3.13Å
694	H	46.8	Very low	45.4	Very low	77 Å²	77	108.6 Å²	108.6	36%	0.356	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-75.6	-18.5	174.5	72	-86.2	0	0	0	113.8	L685 P691 K692	L685-H694 VanDerWaalsContact CD1-CE1 3.44Å; L685-H694 WeakPolarHBondContact CD1-CE1 3.46Å; P691-H694 PolarHBondContact O-CE1 3.39Å; P691-H694 PolarHBondContact O-ND1 3.11Å; K692-H694 VanDerWaalsContact C-N 3.28Å; K692-H694 PolarHBondContact O-N 2.81Å
695	R	35.6	Very low	43.5	Very low	198 Å²	198	109.1 Å²	109.1	75%	0.747	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-91.8	-9.8	-177.3	-66.5	-168.4	178.8	-169.7	-0.9	113.7	K692 E693 K697	K692-R695 PolarHBondContact O-N 2.83Å; E693-R695 VanDerWaalsContact C-N 3.33Å; E693-R695 PolarHBondContact O-N 3.13Å; R695-K697 PolarHBondContact O-N 2.77Å
696	R	33.1	Very low	41.2	Very low	231 Å²	231	113 Å²	113	87%	0.872	60%	0.599	S	S	*	*			trans	-84.3	63.5	-173.7	-142.2	175	177.7	166.5	-2.7	111.8	K692	K692-R696 PolarHBondContact O-N 3.05Å
697	K	34	Very low	39.4	Very low	170 Å²	170	120.4 Å²	120.4	74%	0.739	64%	0.637	S	S	*	*			trans	-139.7	118.8	159.1	-87.9	-173.8	177.9	176.4	0	109	R695	R695-K697 PolarHBondContact O-N 2.77Å
698	G	30.1	Very low	37.5	Very low	79 Å²	79	124.3 Å²	124.3	81%	0.814	66%	0.663	S	S	*	*			trans	117.3	58.1	167.5	0	0	0	0	0	115.7
699	R	28.2	Very low	35.4	Very low	246 Å²	246	130.7 Å²	130.7	93%	0.928	70%	0.704	S	S	*	*			trans	-153.1	75.6	159.1	-98.2	-170.4	-175.3	177.1	0.3	110.2
700	E	28.7	Very low	33.7	Very low	185 Å²	185	133.2 Å²	133.2	86%	0.864	73%	0.725	S	S	*	*	S	Bend	trans	-140.9	139.5	149.6	-76.8	-170	161.6	0	0	108
701	N	27.6	Very low	32.1	Very low	167 Å²	167	134.6 Å²	134.6	89%	0.893	75%	0.745	S	S	*	*	S	Bend	trans	82.3	106.2	-174.3	-57.8	-14.6	0	0	0	116.2
702	G	25.8	Very low	31.1	Very low	69 Å²	69	143.6 Å²	143.6	71%	0.711	77%	0.772	S	S	*	*			trans	-76.4	147	174.9	0	0	0	0	0	112.7
703	D	25	Very low	30.1	Very low	168 Å²	168	143.7 Å²	143.7	90%	0.898	78%	0.78	S	S	*	*				-175.4	157.4	118.4	-95.6	-25.7	0	0	0	109.9
704	V	25.8	Very low	29.1	Very low	136 Å²	136	147.9 Å²	147.9	82%	0.824	80%	0.804	S	S	*	*			trans	-85.6	140.4	-149.6	168.7	0	0	0	0	114.5
705	A	26.3	Very low	28.2	Very low	82 Å²	82	150 Å²	150	68%	0.678	82%	0.821	S	S	*	*			trans	50.6	112.6	147.1	0	0	0	0	0	121.8
706	S	26.5	Very low	27.6	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	82%	0.824	S	S	*	*				174.2	138.4	110.6	43.3	0	0	0	0	109.8
707	L	25.2	Very low	27.1	Very low	173 Å²	173	144.7 Å²	144.7	91%	0.906	83%	0.826	S	S	*	*	S	Bend	trans	108.8	147.5	173.3	-59.7	166.5	0	0	0	117.9
708	P	25.8	Very low	26.6	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	83%	0.826	S	S	*	*			trans	-83.5	162.3	-151.6	-6.4	24.5	0	0	0	116.2	A710	P708-A710 PolarHBondContact O-N 3.3Å; P708-A710 VanDerWaalsContact O-N 3.13Å
709	P	27.1	Very low	26.4	Very low	136 Å²	136	144 Å²	144	88%	0.883	83%	0.83	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	86.5	-168.7	33.9	-32.8	0	0	0	112.7
710	A	26.8	Very low	26.1	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.2	5.5	163.6	0	0	0	0	0	115.3	P708	P708-A710 PolarHBondContact O-N 3.3Å; P708-A710 VanDerWaalsContact O-N 3.13Å
711	A	29.3	Very low	25.9	Very low	96 Å²	96	133.9 Å²	133.9	79%	0.793	82%	0.823	S	S	*	*			trans	-141.2	61.3	-173.3	0	0	0	0	0	113.9
712	R	28.9	Very low	25.9	Very low	245 Å²	245	131.9 Å²	131.9	93%	0.925	82%	0.823	S	S	*	*			trans	-135.4	73.8	163.3	-76.8	-169.9	-178	-165.5	0.9	111
713	L	28.5	Very low	25.9	Very low	159 Å²	159	134 Å²	134	83%	0.832	83%	0.827	S	S	*	*			trans	-160.8	88.4	160.7	-135.7	112.2	0	0	0	109.8
714	L	26.6	Very low	26	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	82%	0.82	S	S	*	*			trans	175.8	133.3	154.4	-100.5	149.3	0	0	0	112
715	V	26.4	Very low	26.1	Very low	121 Å²	121	132.9 Å²	132.9	73%	0.733	82%	0.819	S	S	*	*			trans	84.7	109.2	161.7	-169	0	0	0	0	120.2
716	T	24	Very low	26.1	Very low	130 Å²	130	136 Å²	136	80%	0.798	82%	0.823	S	S	*	*				-173.1	131.7	112.1	8.8	0	0	0	0	106.6
717	M	22.7	Very low	26.1	Very low	187 Å²	187	139.2 Å²	139.2	92%	0.921	83%	0.825	S	S	*	*			cis	-144.9	135.7	32.4	-65	-172.8	159	0	0	111.9
718	A	23.9	Very low	27.2	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	81%	0.811	S	S	*	*			trans	-132.2	144.4	153	0	0	0	0	0	107.5
719	T	24.9	Very low	27.2	Very low	147 Å²	147	138.6 Å²	138.6	90%	0.902	81%	0.814	S	S	*	*			trans	97.4	100.5	176	73.3	0	0	0	0	117.2
720	A	23.2	Very low	27.1	Very low	105 Å²	105	138.6 Å²	138.6	87%	0.868	81%	0.806	S	S	*	*			trans	-151.5	82.2	149.2	0	0	0	0	0	108.1
721	S	24.6	Very low	27.5	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	80%	0.799	S	S	*	*			trans	-162.9	89.4	157.7	62.1	0	0	0	0	110.1
722	S	25.8	Very low	27.9	Very low	126 Å²	126	139.6 Å²	139.6	88%	0.881	80%	0.795	S	S	*	*			trans	161.6	128.1	131.9	60.6	0	0	0	0	110.5
723	S	26.9	Very low	27.7	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	78%	0.784	S	S	*	*			trans	-82.3	139.5	175.4	44.9	0	0	0	0	111.5
724	S	26.9	Very low	27.6	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	78%	0.777	S	S	*	*				168	119.7	121.3	56.7	0	0	0	0	114
725	H	27.9	Very low	27.6	Very low	172 Å²	172	129.1 Å²	129.1	80%	0.796	77%	0.774	S	S	*	*			trans	63.5	127.4	137.6	-71.6	-60	0	0	0	125.7
726	L	25.8	Very low	27.5	Very low	146 Å²	146	127.9 Å²	127.9	76%	0.764	77%	0.77	S	S	*	*			trans	86.7	91.4	135.6	-74.5	158.5	0	0	0	120.7
727	H	27.8	Very low	27.6	Very low	179 Å²	179	126.7 Å²	126.7	83%	0.829	77%	0.768	S	S	*	*				51.4	157.4	116.8	-93.9	-40	0	0	0	122.9
728	P	48.3	Very low	27.7	Very low	94 Å²	94	124 Å²	124	61%	0.61	77%	0.766	S	S	*	*				-119.5	-179	-122.4	35.7	-17.1	0	0	0	113.9
729	F	24.2	Very low	27.7	Very low	177 Å²	177	131.1 Å²	131.1	78%	0.776	77%	0.774	S	S	*	*				168.1	128.2	129.6	-106.1	-114.7	0	0	0	114.1
730	I	25.5	Very low	27.7	Very low	136 Å²	136	130.1 Å²	130.1	70%	0.697	77%	0.771	S	S	*	*			trans	66.9	129.5	136.3	-64	-170.1	0	0	0	123.3
731	P	34.6	Very low	27.8	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	77%	0.769	S	S	*	*			trans	-91.2	-161.5	174.1	43.9	-39.2	0	0	0	110.9
732	P	39.2	Very low	27.8	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	77%	0.769	S	S	*	*			cis	-133.1	177.7	3.8	36.4	-13.4	0	0	0	113.9
733	S	25	Very low	27.9	Very low	98 Å²	98	133 Å²	133	69%	0.685	76%	0.761	S	S	*	*				155.4	127.5	103	53	0	0	0	0	108.3
734	S	24.6	Very low	27.9	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	76%	0.763	S	S	*	*				91.6	147.9	103.3	73.7	0	0	0	0	116.1
735	L	27.8	Very low	27.9	Very low	151 Å²	151	141.3 Å²	141.3	79%	0.791	77%	0.766	S	S	*	*			trans	90.4	95.6	167.7	-58.2	154.9	0	0	0	114.7
736	S	24.6	Very low	28.1	Very low	95 Å²	95	144.8 Å²	144.8	66%	0.664	79%	0.789	S	S	*	*				66.2	118.7	69.3	79.3	0	0	0	0	114.9
737	S	25.2	Very low	28.2	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	79%	0.79	S	S	*	*			trans	59	115.6	151.5	63.1	0	0	0	0	118.9
738	C	24.5	Very low	28.2	Very low	131 Å²	131	142.9 Å²	142.9	89%	0.885	79%	0.788	S	S	*	*				-169.9	138.8	106.4	-108	0	0	0	0	112.2
739	R	24.9	Very low	27.1	Very low	238 Å²	238	145.6 Å²	145.6	90%	0.898	80%	0.798	S	S	*	*			trans	-64.4	142.4	165.7	-68.8	172.2	172	-173.7	-3.6	109.4
740	C	24.1	Very low	27.3	Very low	125 Å²	125	143.8 Å²	143.8	85%	0.845	80%	0.799	S	S	*	*				-177	143.3	112.9	-103.7	0	0	0	0	111.4
741	L	25.3	Very low	27.4	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	81%	0.805	S	S	*	*			trans	-52.6	152.4	164.2	-78.7	90.3	0	0	0	110.9
742	V	25.7	Very low	26.9	Very low	129 Å²	129	146.5 Å²	146.5	78%	0.782	81%	0.811	S	S	*	*				172.8	112.4	117.7	154.4	0	0	0	0	108.6
743	T	26	Very low	26	Very low	117 Å²	117	149.1 Å²	149.1	72%	0.718	82%	0.818	S	S	*	*			trans	27.4	139.2	141.7	31.4	0	0	0	0	123.5
744	R	27.4	Very low	26.1	Very low	220 Å²	220	153 Å²	153	83%	0.83	83%	0.828	S	S	*	*			trans	92.7	112.9	137.6	-82.4	179.5	-179.9	-167.6	0.3	118.7
745	H	28.1	Very low	26.2	Very low	175 Å²	175	157.6 Å²	157.6	81%	0.81	84%	0.84	S	S	*	*				37.6	113.3	129.4	-73.1	-49.4	0	0	0	117.9
746	L	31.2	Very low	26.1	Very low	245 Å²	245	158.2 Å²	158.2	100%	1.283	84%	0.844	S	S	*	*				-134.5	0	100.9	-95.3	160.6	0	0	0	109.2

Retrieved 746 of 746 residues in 1668.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).