A0A077Z0W8_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077Z0W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 575 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	38.5	Very low	36.6	Very low	239 Å²	239	147.8 Å²	147.8	100%	1.177	85%	0.854	S	S	*	*				0	122.3	0	-75.9	-174.1	151.2	0	0	107.5
2	S	38.1	Very low	36.6	Very low	130 Å²	130	145.2 Å²	145.2	91%	0.909	84%	0.841	S	S	*	*			trans	46	126.7	165.6	55.9	0	0	0	0	119.3
3	G	36.3	Very low	36.3	Very low	68 Å²	68	144 Å²	144	70%	0.701	84%	0.842	S	S	*	*			cis	175.3	158.7	8.3	0	0	0	0	0	112.2
4	S	37	Very low	36.5	Very low	112 Å²	112	138 Å²	138	78%	0.783	83%	0.826	S	S	*	*			trans	46.4	101.7	152.4	60.3	0	0	0	0	120
5	S	34.6	Very low	37	Very low	121 Å²	121	132.8 Å²	132.8	85%	0.846	80%	0.799	S	S	*	*				79.4	92.8	77.2	74.7	0	0	0	0	114.6
6	S	35.3	Very low	37.3	Very low	121 Å²	121	137 Å²	137	85%	0.846	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.8	121.4	170.8	-177.1	0	0	0	0	109.9
7	A	41.8	Very low	37.9	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81.4	120.5	171.6	0	0	0	0	0	109.6
8	R	32.6	Very low	38.6	Very low	235 Å²	235	132.2 Å²	132.2	89%	0.887	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-73.4	132	169.9	-68.6	175.3	173.1	177.2	-3.2	109
9	Q	38	Very low	39.9	Very low	193 Å²	193	130.8 Å²	130.8	90%	0.902	77%	0.772	S	S	*	*			trans	-107.9	129.4	161.8	-80.1	-177.1	-4.9	0	0	108.9
10	D	36.4	Very low	41.2	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	76%	0.764	S	S	*	*			trans	-72.3	133.6	-172.7	-67.6	-50.5	0	0	0	112.4	V12	D10-V12 PolarHBondContact O-N 3.38Å
11	H	33.7	Very low	42	Very low	158 Å²	158	127.1 Å²	127.1	73%	0.731	75%	0.745	S	S	*	*			trans	-83.1	110.3	179.2	-162.5	-54.8	0	0	0	109.7
12	V	37.2	Very low	43.2	Very low	116 Å²	116	117.7 Å²	117.7	70%	0.703	71%	0.705	S	S	*	*			trans	-76.6	125.9	171.1	-178.9	0	0	0	0	109.2	D10 G14	D10-V12 PolarHBondContact O-N 3.38Å; V12-G14 PolarHBondContact O-N 3.26Å
13	P	32	Very low	44.8	Very low	130 Å²	130	119 Å²	119	84%	0.844	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	92.4	-177.8	27.5	-25.4	0	0	0	110.4
14	G	39.5	Very low	46.4	Very low	60 Å²	60	119.3 Å²	119.3	62%	0.619	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173	-0.8	173.6	0	0	0	0	0	115.1	V12 K16	V12-G14 PolarHBondContact O-N 3.26Å; G14-K16 PolarHBondContact O-N 3.44Å
15	S	43.6	Very low	47.8	Very low	60 Å²	60	117.5 Å²	117.5	42%	0.42	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-0.2	-162.9	79.1	0	0	0	0	117.1	G17	S15-G17 VanDerWaalsContact C-N 3.3Å; S15-G17 PolarHBondContact O-N 3.23Å
16	K	43	Very low	49.7	Very low	200 Å²	200	118.2 Å²	118.2	87%	0.87	65%	0.645	S	S	*	*	H	α-helix	trans	-70.4	-23.9	-178	-68.3	-172.8	179.2	-178.6	0	113.7	G14	G14-K16 PolarHBondContact O-N 3.44Å
17	G	46.5	Very low	51.6	Low	53 Å²	53	122.2 Å²	122.2	55%	0.546	64%	0.642	S	S	.	*	H	α-helix	trans	-84.2	-33.5	178.8	0	0	0	0	0	114.4	S15 F20 A21	S15-G17 VanDerWaalsContact C-N 3.3Å; S15-G17 PolarHBondContact O-N 3.23Å; G17-F20 PolarHBondContact O-N 3.18Å; G17-A21 PolarHBondContact O-N 2.95Å
18	L	51.4	Low	52.8	Low	134 Å²	134	126.8 Å²	126.8	70%	0.702	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-37.1	-180	-83.2	152.6	0	0	0	112.1	A21 A22	L18-A21 PolarHBondContact O-N 3.14Å; L18-A22 PolarHBondContact O-N 2.93Å; L18-A22 VanDerWaalsContact O-N 3.11Å
19	D	61.8	Low	54.4	Low	107 Å²	107	118.4 Å²	118.4	57%	0.572	63%	0.626	S	S	*	*	H	α-helix	trans	-70.3	-31.3	179.7	-159	40.5	0	0	0	112.6	R23	D19-R23 WeakPolarHBondContact O-CG 3.49Å; D19-R23 PolarHBondContact O-N 3.1Å
20	F	67.1	Low	55.6	Low	139 Å²	139	112.3 Å²	112.3	61%	0.61	60%	0.595	S	S	*	*	H	α-helix	trans	-71.2	-43.6	175.5	-177.2	-103.5	0	0	0	112.1	G17 R23 I24	G17-F20 PolarHBondContact O-N 3.18Å; F20-R23 PolarHBondContact O-N 3.42Å; F20-I24 HydrophobicContact CD1-CD1 3.85Å; F20-I24 HydrophobicContact CE1-CD1 3.27Å; F20-I24 HydrophobicContact CE1-CG1 4.28Å; F20-I24 HydrophobicContact CE2-CD1 4.38Å; F20-I24 HydrophobicContact CZ-CD1 3.59Å; F20-I24 HydrophobicContact CZ-CG1 4.36Å; F20-I24 PolarHBondContact O-N 3.08Å; F20-I24 VanDerWaalsContact O-N 3.1Å
21	A	57.1	Low	57.3	Low	45 Å²	45	112.6 Å²	112.6	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-64.5	-41.9	177.6	0	0	0	0	0	111.8	G17 L18 R23 I24 M25	G17-A21 PolarHBondContact O-N 2.95Å; L18-A21 PolarHBondContact O-N 3.14Å; A21-R23 PolarHBondContact O-N 3.09Å; A21-I24 PolarHBondContact O-N 3.16Å; A21-M25 HydrophobicContact CB-CE 4.5Å; A21-M25 WeakPolarHBondContact O-CG 3.15Å; A21-M25 PolarHBondContact O-N 3.09Å
22	A	65.1	Low	58.8	Low	40 Å²	40	114.2 Å²	114.2	33%	0.331	60%	0.597	S	S	.	*	H	α-helix	trans	-57.9	-46.5	175.2	0	0	0	0	0	112.1	L18 I24 M25 E26	L18-A22 PolarHBondContact O-N 2.93Å; L18-A22 VanDerWaalsContact O-N 3.11Å; A22-I24 PolarHBondContact O-N 3.02Å; A22-M25 PolarHBondContact O-N 2.92Å; A22-E26 PolarHBondContact O-N 3.5Å
23	R	70.4	Confident	60.1	Low	159 Å²	159	111.2 Å²	111.2	60%	0.6	59%	0.59	S	S	*	*	H	α-helix	trans	-65.6	-33	177.6	-77.5	174.8	62.9	179.5	0.1	114.1	D19 F20 A21 R27	D19-R23 WeakPolarHBondContact O-CG 3.49Å; D19-R23 PolarHBondContact O-N 3.1Å; F20-R23 PolarHBondContact O-N 3.42Å; A21-R23 PolarHBondContact O-N 3.09Å; R23-R27 WeakPolarHBondContact O-CB 3.23Å; R23-R27 PolarHBondContact O-N 3.41Å
24	I	70.6	Confident	61.7	Low	73 Å²	73	105.9 Å²	105.9	37%	0.374	56%	0.556	S	S	.	*	H	α-helix	trans	-68	-46.7	173.6	-71.8	-179.9	0	0	0	109.8	F20 A21 A22 E26 R27 Y28	F20-I24 HydrophobicContact CD1-CD1 3.85Å; F20-I24 HydrophobicContact CE1-CD1 3.27Å; F20-I24 HydrophobicContact CE1-CG1 4.28Å; F20-I24 HydrophobicContact CE2-CD1 4.38Å; F20-I24 HydrophobicContact CZ-CD1 3.59Å; F20-I24 HydrophobicContact CZ-CG1 4.36Å; F20-I24 PolarHBondContact O-N 3.08Å; F20-I24 VanDerWaalsContact O-N 3.1Å; A21-I24 PolarHBondContact O-N 3.16Å; A22-I24 PolarHBondContact O-N 3.02Å; I24-E26 PolarHBondContact O-N 3.21Å; I24-R27 PolarHBondContact O-N 3.5Å; I24-Y28 HydrophobicContact CG2-CD2 4.04Å; I24-Y28 HydrophobicContact CG2-CE2 4.21Å; I24-Y28 WeakPolarHBondContact O-CD2 3.29Å; I24-Y28 PolarHBondContact O-N 2.83Å
25	M	66.5	Low	62.8	Low	75 Å²	75	103.4 Å²	103.4	37%	0.369	53%	0.53	S	S	.	.	H	α-helix	trans	-60.3	-45.6	-179.3	-70.7	-172.8	-72.3	0	0	111.5	A21 A22 R27 Y28 G29 Y30	A21-M25 HydrophobicContact CB-CE 4.5Å; A21-M25 WeakPolarHBondContact O-CG 3.15Å; A21-M25 PolarHBondContact O-N 3.09Å; A22-M25 PolarHBondContact O-N 2.92Å; M25-R27 VanDerWaalsContact C-N 3.34Å; M25-R27 PolarHBondContact O-N 2.85Å; M25-Y28 CarbonylContact O-C 3.44Å; M25-Y28 PolarHBondContact O-N 2.91Å; M25-G29 PolarHBondContact O-N 3.39Å; M25-Y30 HydrophobicContact CB-CD1 3.99Å; M25-Y30 HydrophobicContact CB-CG 4.11Å; M25-Y30 VanDerWaalsContact O-CB 3.23Å; M25-Y30 WeakPolarHBondContact O-CB 3.26Å; M25-Y30 PolarHBondContact O-N 3.16Å
26	E	74.4	Confident	63.7	Low	136 Å²	136	106.1 Å²	106.1	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-60	-40.5	175.6	-75.9	-178.4	169.9	0	0	112.8	A22 I24 Y28 G29	A22-E26 PolarHBondContact O-N 3.5Å; I24-E26 PolarHBondContact O-N 3.21Å; E26-Y28 PolarHBondContact O-N 3.42Å; E26-G29 PolarHBondContact O-N 3.41Å; E26-G29 VanDerWaalsContact O-N 3.08Å
27	R	74.9	Confident	64.6	Low	205 Å²	205	98.4 Å²	98.4	77%	0.774	52%	0.516	S	S	*	.	H	α-helix	trans	-63.4	-29.3	179.3	-171.2	-176.2	-77.9	-164.8	-5.6	112.5	R23 I24 M25	R23-R27 WeakPolarHBondContact O-CB 3.23Å; R23-R27 PolarHBondContact O-N 3.41Å; I24-R27 PolarHBondContact O-N 3.5Å; M25-R27 VanDerWaalsContact C-N 3.34Å; M25-R27 PolarHBondContact O-N 2.85Å
28	Y	66.3	Low	65.4	Low	192 Å²	192	106.2 Å²	106.2	75%	0.753	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	16.6	176.9	-73.5	-80	0	0	0	113.5	I24 M25 E26	I24-Y28 HydrophobicContact CG2-CD2 4.04Å; I24-Y28 HydrophobicContact CG2-CE2 4.21Å; I24-Y28 WeakPolarHBondContact O-CD2 3.29Å; I24-Y28 PolarHBondContact O-N 2.83Å; M25-Y28 CarbonylContact O-C 3.44Å; M25-Y28 PolarHBondContact O-N 2.91Å; E26-Y28 PolarHBondContact O-N 3.42Å
29	G	66.8	Low	66.2	Low	58 Å²	58	103.6 Å²	103.6	60%	0.598	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	7.5	168.2	0	0	0	0	0	115.7	M25 E26 K31	M25-G29 PolarHBondContact O-N 3.39Å; E26-G29 PolarHBondContact O-N 3.41Å; E26-G29 VanDerWaalsContact O-N 3.08Å; G29-K31 PolarHBondContact O-N 2.88Å
30	Y	63.5	Low	66.2	Low	66 Å²	66	105 Å²	105	26%	0.259	54%	0.536	S	S	.	.			trans	-66.4	129.2	171.4	174.3	-100	0	0	0	110.4	M25 S34 L36	M25-Y30 HydrophobicContact CB-CD1 3.99Å; M25-Y30 HydrophobicContact CB-CG 4.11Å; M25-Y30 VanDerWaalsContact O-CB 3.23Å; M25-Y30 WeakPolarHBondContact O-CB 3.26Å; M25-Y30 PolarHBondContact O-N 3.16Å; Y30-S34 WeakPolarHBondContact CE2-O 3.34Å; Y30-L36 HydrophobicContact CD2-CD2 4.11Å; Y30-L36 HydrophobicContact CD2-CG 4.37Å
31	K	71.5	Confident	66.2	Low	158 Å²	158	104.8 Å²	104.8	69%	0.687	54%	0.537	S	S	*	.			trans	-109.6	145.9	166.7	-67.6	180	-178.3	173.4	0	108.6	G29 G33 S34	G29-K31 PolarHBondContact O-N 2.88Å; K31-G33 PolarHBondContact O-N 2.91Å; K31-S34 PolarHBondContact N-OG 3.4Å; K31-S34 PolarHBondContact O-N 3.41Å; K31-S34 PolarHBondContact O-OG 2.89Å
32	Q	64.8	Low	66.2	Low	192 Å²	192	103.8 Å²	103.8	90%	0.897	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	116.4	177	-167.4	146	7.3	0	0	110.1
33	G	66.1	Low	66	Low	54 Å²	54	106.9 Å²	106.9	56%	0.557	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-10	-175.3	0	0	0	0	0	115.9	K31	K31-G33 PolarHBondContact O-N 2.91Å
34	S	65.5	Low	65.6	Low	18 Å²	18	102.4 Å²	102.4	13%	0.126	53%	0.533	C	S	.	.			trans	-83.7	132.9	172.5	61.4	0	0	0	0	110.8	Y30 K31	Y30-S34 WeakPolarHBondContact CE2-O 3.34Å; K31-S34 PolarHBondContact N-OG 3.4Å; K31-S34 PolarHBondContact O-N 3.41Å; K31-S34 PolarHBondContact O-OG 2.89Å
35	G	62.9	Low	65	Low	8 Å²	8	102 Å²	102	8%	0.082	53%	0.534	C	S	.	.			trans	-63.8	142.2	174.4	0	0	0	0	0	112.5	G37 E40 G42	G35-G37 PolarHBondContact O-N 3Å; G35-G37 VanDerWaalsContact O-N 3.07Å; G35-E40 WeakPolarHBondContact CA-O 3.39Å; G35-E40 PolarHBondContact N-O 3.17Å; G35-E40 CarbonylContact O-C 3.47Å; G35-E40 WeakPolarHBondContact O-CA 3.17Å; G35-G42 WeakPolarHBondContact CA-O 3.4Å
36	L	60.6	Low	64.6	Low	117 Å²	117	102.4 Å²	102.4	61%	0.613	55%	0.549	S	S	*	.	S	Bend	trans	-72.1	99.7	176.4	-76.9	160.6	0	0	0	111.4	Y30 G42	Y30-L36 HydrophobicContact CD2-CD2 4.11Å; Y30-L36 HydrophobicContact CD2-CG 4.37Å; L36-G42 WeakPolarHBondContact O-CA 3.46Å
37	G	63.4	Low	64.1	Low	37 Å²	37	100 Å²	100	38%	0.381	54%	0.54	S	S	.	.	S	Bend	trans	177.7	160.3	176.8	0	0	0	0	0	112.1	G35 A39 E40	G35-G37 PolarHBondContact O-N 3Å; G35-G37 VanDerWaalsContact O-N 3.07Å; G37-A39 PolarHBondContact O-N 3.42Å; G37-A39 VanDerWaalsContact O-N 3.1Å; G37-E40 PolarHBondContact O-N 3.46Å
38	K	62.1	Low	63.6	Low	217 Å²	217	95.8 Å²	95.8	94%	0.943	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29.2	-179.3	-176.6	-179.1	176.5	-175.2	0	113.4
39	A	68.1	Low	63.3	Low	79 Å²	79	91.4 Å²	91.4	65%	0.653	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	30	178.1	0	0	0	0	0	111.6	G37 Q41	G37-A39 PolarHBondContact O-N 3.42Å; G37-A39 VanDerWaalsContact O-N 3.1Å; A39-Q41 VanDerWaalsContact CB-OE1 3.29Å; A39-Q41 PolarHBondContact O-N 2.84Å
40	E	63.8	Low	63.6	Low	136 Å²	136	93.7 Å²	93.7	64%	0.636	52%	0.518	S	S	*	.	S	Bend	trans	59.1	18.4	179.1	-54.9	-178.6	171.4	0	0	114.5	G35 G37 G42	G35-E40 WeakPolarHBondContact CA-O 3.39Å; G35-E40 PolarHBondContact N-O 3.17Å; G35-E40 CarbonylContact O-C 3.47Å; G35-E40 WeakPolarHBondContact O-CA 3.17Å; G37-E40 PolarHBondContact O-N 3.46Å; E40-G42 VanDerWaalsContact C-N 3.3Å; E40-G42 PolarHBondContact O-N 3.05Å
41	Q	65.5	Low	64	Low	135 Å²	135	99.4 Å²	99.4	63%	0.631	54%	0.544	S	S	*	.			trans	-80.9	-4.2	-172.9	74.4	-83.6	12.5	0	0	114.9	A39	A39-Q41 VanDerWaalsContact CB-OE1 3.29Å; A39-Q41 PolarHBondContact O-N 2.84Å
42	G	58	Low	64.2	Low	25 Å²	25	96.1 Å²	96.1	26%	0.258	54%	0.537	S	S	.	.	S	Bend	trans	-73.3	172	-177.8	0	0	0	0	0	113.5	G35 L36 E40 S44	G35-G42 WeakPolarHBondContact CA-O 3.4Å; L36-G42 WeakPolarHBondContact O-CA 3.46Å; E40-G42 VanDerWaalsContact C-N 3.3Å; E40-G42 PolarHBondContact O-N 3.05Å; G42-S44 PolarHBondContact O-N 3.09Å
43	M	60.9	Low	64.3	Low	105 Å²	105	88.5 Å²	88.5	52%	0.517	51%	0.51	S	S	.	.			trans	-59.8	121.6	172.5	-74.4	168.8	40.7	0	0	110.6	L47	M43-L47 HydrophobicContact CE-CD1 4.45Å; M43-L47 HydrophobicContact CE-CD2 4.44Å; M43-L47 HydrophobicContact CE-CG 3.92Å
44	S	61	Low	64.1	Low	64 Å²	64	91.3 Å²	91.3	45%	0.448	53%	0.528	S	S	.	.	S	Bend	trans	-88.5	-16	174.5	54.4	0	0	0	0	113.1	G42	G42-S44 PolarHBondContact O-N 3.09Å
45	T	59.5	Low	63.7	Low	65 Å²	65	101.8 Å²	101.8	40%	0.399	57%	0.565	S	S	.	*	S	Bend	trans	-134.2	146	-177.5	7.5	0	0	0	0	110.6	E62	T45-E62 PolarHBondContact OG1-OE2 2.97Å
46	A	56.6	Low	63	Low	83 Å²	83	107.3 Å²	107.3	69%	0.686	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-68.8	144.6	175.4	0	0	0	0	0	110.5	Q48	A46-Q48 PolarHBondContact O-N 3.39Å
47	L	64.5	Low	63.3	Low	86 Å²	86	103.5 Å²	103.5	45%	0.45	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-59.7	134.5	170.1	-62.8	168.3	0	0	0	109.4	M43 I59 H61	M43-L47 HydrophobicContact CE-CD1 4.45Å; M43-L47 HydrophobicContact CE-CD2 4.44Å; M43-L47 HydrophobicContact CE-CG 3.92Å; L47-I59 HydrophobicContact CB-CG2 3.57Å; L47-I59 HydrophobicContact CD1-CG2 3.89Å; L47-I59 HydrophobicContact CG-CG2 4.19Å; L47-H61 HydrophobicContact CD2-CB 4.12Å
48	Q	63.4	Low	63.8	Low	117 Å²	117	107.8 Å²	107.8	55%	0.547	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	142.5	179.5	-68.7	-173	0.5	0	0	110.3	A46 I59 V60	A46-Q48 PolarHBondContact O-N 3.39Å; Q48-I59 CarbonylContact O-C 3.58Å; Q48-I59 WeakPolarHBondContact O-CA 3.23Å; Q48-V60 PolarHBondContact N-O 3.48Å; Q48-V60 VanDerWaalsContact N-O 3.1Å; Q48-V60 PolarHBondContact O-N 2.84Å
49	V	60.5	Low	64.2	Low	100 Å²	100	103 Å²	103	61%	0.606	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.5	108.9	173.2	-178.7	0	0	0	0	108.2	K58 I59	V49-K58 CarbonylContact C-O 3.58Å; V49-K58 WeakPolarHBondContact CA-O 3.37Å; V49-I59 HydrophobicContact CG2-CG1 4.42Å
50	E	73.7	Confident	64.2	Low	106 Å²	106	100.1 Å²	100.1	50%	0.495	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.8	170.8	-175.4	-173.1	178.8	0	0	108.9	T52 G57 K58 V60	E50-T52 PolarHBondContact O-N 3.26Å; E50-G57 CarbonylContact O-C 3.56Å; E50-G57 VanDerWaalsContact O-C 3.31Å; E50-G57 WeakPolarHBondContact O-CA 3.36Å; E50-K58 HydrophobicContact CB-CB 4.4Å; E50-K58 PolarHBondContact N-O 3.44Å; E50-K58 PolarHBondContact O-N 2.91Å; E50-V60 HydrophobicContact CB-CG2 3.96Å
51	K	72.5	Confident	64.1	Low	186 Å²	186	96.4 Å²	96.4	81%	0.809	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	112.7	179.1	-73.4	-177.6	179.4	176.6	0	110.9	L56	K51-L56 CarbonylContact C-O 3.58Å; K51-L56 WeakPolarHBondContact CA-O 3.45Å
52	T	75.4	Confident	63.6	Low	88 Å²	88	94.1 Å²	94.1	54%	0.54	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	0.2	173	41.2	0	0	0	0	113.1	E50 L56 G57 K58	E50-T52 PolarHBondContact O-N 3.26Å; T52-L56 PolarHBondContact N-O 3.27Å; T52-G57 WeakPolarHBondContact OG1-CA 3.48Å; T52-G57 PolarHBondContact OG1-N 2.87Å; T52-K58 HydrophobicContact CG2-CB 4.2Å
53	G	67.1	Low	63.5	Low	32 Å²	32	99.8 Å²	99.8	33%	0.33	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-175.3	173	0	0	0	0	0	112.9	R55 L56	G53-R55 PolarHBondContact O-N 3.04Å; G53-L56 PolarHBondContact N-O 2.83Å; G53-L56 PolarHBondContact O-N 3.38Å
54	A	60.8	Low	63.1	Low	113 Å²	113	99.2 Å²	99.2	93%	0.934	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	-179.1	0	0	0	0	0	113.8
55	R	57.1	Low	62.5	Low	238 Å²	238	100.8 Å²	100.8	90%	0.898	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	17.4	179.4	-59.1	-174.6	-176.3	178.4	1.4	113.7	G53	G53-R55 PolarHBondContact O-N 3.04Å
56	L	48.4	Very low	61.8	Low	124 Å²	124	103.5 Å²	103.5	65%	0.649	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.7	143.2	-178.5	-72.2	160.5	0	0	0	109.1	K51 T52 G53	K51-L56 CarbonylContact C-O 3.58Å; K51-L56 WeakPolarHBondContact CA-O 3.45Å; T52-L56 PolarHBondContact N-O 3.27Å; G53-L56 PolarHBondContact N-O 2.83Å; G53-L56 PolarHBondContact O-N 3.38Å
57	G	68.1	Low	61	Low	38 Å²	38	109.1 Å²	109.1	39%	0.392	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.4	144.7	170	0	0	0	0	0	112.4	E50 T52	E50-G57 CarbonylContact O-C 3.56Å; E50-G57 VanDerWaalsContact O-C 3.31Å; E50-G57 WeakPolarHBondContact O-CA 3.36Å; T52-G57 WeakPolarHBondContact OG1-CA 3.48Å; T52-G57 PolarHBondContact OG1-N 2.87Å
58	K	73.2	Confident	59.6	Low	126 Å²	126	113.7 Å²	113.7	55%	0.548	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	130.3	172.2	-172.2	-175.3	177.6	-172.7	0	108	V49 E50 T52 V60	V49-K58 CarbonylContact C-O 3.58Å; V49-K58 WeakPolarHBondContact CA-O 3.37Å; E50-K58 HydrophobicContact CB-CB 4.4Å; E50-K58 PolarHBondContact N-O 3.44Å; E50-K58 PolarHBondContact O-N 2.91Å; T52-K58 HydrophobicContact CG2-CB 4.2Å; K58-V60 HydrophobicContact CB-CG2 4.29Å; K58-V60 HydrophobicContact CD-CG2 4.1Å; K58-V60 HydrophobicContact CG-CG2 3.98Å
59	I	70.6	Confident	58	Low	117 Å²	117	116.2 Å²	116.2	60%	0.6	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86	119.2	174.2	-57.6	175.7	0	0	0	107.1	L47 Q48 V49	L47-I59 HydrophobicContact CB-CG2 3.57Å; L47-I59 HydrophobicContact CD1-CG2 3.89Å; L47-I59 HydrophobicContact CG-CG2 4.19Å; Q48-I59 CarbonylContact O-C 3.58Å; Q48-I59 WeakPolarHBondContact O-CA 3.23Å; V49-I59 HydrophobicContact CG2-CG1 4.42Å
60	V	68.3	Low	56.5	Low	18 Å²	18	120 Å²	120	11%	0.109	60%	0.6	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	136.8	-174.1	-157.4	0	0	0	0	109.5	Q48 E50 K58 D64 V65	Q48-V60 PolarHBondContact N-O 3.48Å; Q48-V60 VanDerWaalsContact N-O 3.1Å; Q48-V60 PolarHBondContact O-N 2.84Å; E50-V60 HydrophobicContact CB-CG2 3.96Å; K58-V60 HydrophobicContact CB-CG2 4.29Å; K58-V60 HydrophobicContact CD-CG2 4.1Å; K58-V60 HydrophobicContact CG-CG2 3.98Å; V60-D64 HydrophobicContact CG1-CB 4.25Å; V60-V65 HydrophobicContact CB-CG2 4.35Å; V60-V65 HydrophobicContact CG1-CG2 3.61Å
61	H	60.7	Low	54.4	Low	59 Å²	59	121 Å²	121	27%	0.273	62%	0.616	S	S	.	*			trans	-84	139.1	170.8	-171.2	-85.9	0	0	0	109.1	L47 K63 D64	L47-H61 HydrophobicContact CD2-CB 4.12Å; H61-K63 WeakPolarHBondContact ND1-CB 3.4Å; H61-K63 PolarHBondContact ND1-N 2.98Å; H61-K63 PolarHBondContact O-N 2.77Å; H61-K63 VanDerWaalsContact O-N 3.07Å; H61-D64 WeakPolarHBondContact CB-OD2 3.35Å; H61-D64 WeakPolarHBondContact O-CB 3.44Å; H61-D64 PolarHBondContact O-N 3.06Å
62	E	56.2	Low	52.3	Low	87 Å²	87	119.7 Å²	119.7	41%	0.407	62%	0.618	S	S	.	*	H	α-helix	trans	-56.6	-30.5	-175	-167.4	173.4	-165.3	0	0	113.1	T45 D64 V65	T45-E62 PolarHBondContact OG1-OE2 2.97Å; E62-D64 VanDerWaalsContact C-N 3.33Å; E62-D64 PolarHBondContact O-N 3.31Å; E62-V65 PolarHBondContact O-N 2.87Å
63	K	54.2	Low	50.1	Low	144 Å²	144	124.8 Å²	124.8	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-73.2	-19.1	175	-62.7	-177.5	-178.1	176.6	0	114.6	H61 R67	H61-K63 WeakPolarHBondContact ND1-CB 3.4Å; H61-K63 PolarHBondContact ND1-N 2.98Å; H61-K63 PolarHBondContact O-N 2.77Å; H61-K63 VanDerWaalsContact O-N 3.07Å; K63-R67 WeakPolarHBondContact O-CG 3.43Å
64	D	54	Low	48.2	Very low	92 Å²	92	129.8 Å²	129.8	49%	0.492	66%	0.66	S	S	.	*	H	α-helix	trans	-85	-21.1	178.1	-60.4	-25.6	0	0	0	111.4	V60 H61 E62	V60-D64 HydrophobicContact CG1-CB 4.25Å; H61-D64 WeakPolarHBondContact CB-OD2 3.35Å; H61-D64 WeakPolarHBondContact O-CB 3.44Å; H61-D64 PolarHBondContact O-N 3.06Å; E62-D64 VanDerWaalsContact C-N 3.33Å; E62-D64 PolarHBondContact O-N 3.31Å
65	V	48.2	Very low	46.7	Very low	98 Å²	98	130.5 Å²	130.5	59%	0.594	65%	0.652	S	S	*	*	H	α-helix	trans	-78	-26.3	174.8	-175.4	0	0	0	0	111.8	V60 E62	V60-V65 HydrophobicContact CB-CG2 4.35Å; V60-V65 HydrophobicContact CG1-CG2 3.61Å; E62-V65 PolarHBondContact O-N 2.87Å
66	I	44.7	Very low	45.2	Very low	121 Å²	121	126.5 Å²	126.5	62%	0.621	64%	0.644	S	S	*	*	S	Bend	trans	-95.3	-11.5	-175.1	-59.3	170.8	0	0	0	112	E68	I66-E68 PolarHBondContact O-N 3.28Å
67	R	40	Very low	44.2	Very low	202 Å²	202	131.2 Å²	131.2	76%	0.762	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.6	-174.2	-96	176.6	162	176.9	-6.9	115.8	K63 E69	K63-R67 WeakPolarHBondContact O-CG 3.43Å; R67-E69 VanDerWaalsContact C-N 3.35Å
68	E	34.8	Very low	42.2	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-0.5	178.3	-70.1	-166.8	160.1	0	0	114.2	I66	I66-E68 PolarHBondContact O-N 3.28Å
69	E	29.5	Very low	40.1	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	69%	0.689	S	S	*	*	S	Bend	trans	-132.9	98.9	175.3	-64.1	-175.7	170.2	0	0	109.3	R67	R67-E69 VanDerWaalsContact C-N 3.35Å
70	M	29	Very low	38.3	Very low	181 Å²	181	137 Å²	137	89%	0.892	70%	0.695	S	S	*	*			trans	162	130.6	142.8	-85.9	-174	91.6	0	0	112.9
71	P	30.8	Very low	36.4	Very low	125 Å²	125	140.5 Å²	140.5	81%	0.812	72%	0.72	S	S	*	*			trans	-83.7	143	173.7	3.7	14.2	0	0	0	113.3
72	N	26.9	Very low	35	Very low	160 Å²	160	147 Å²	147	86%	0.856	75%	0.751	S	S	*	*			trans	-59.4	134.1	179.2	-90.9	-24.2	0	0	0	115.1
73	E	29.3	Very low	33.7	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	77%	0.767	S	S	*	*			trans	-109.3	125.8	157.2	-79.2	-174.4	154.9	0	0	110.3
74	T	27.2	Very low	32.8	Very low	138 Å²	138	145.6 Å²	145.6	85%	0.847	77%	0.772	S	S	*	*			trans	-97.9	133.2	177.3	41.7	0	0	0	0	111.6
75	V	29.2	Very low	31.7	Very low	128 Å²	128	147.8 Å²	147.8	78%	0.776	79%	0.789	S	S	*	*			trans	-111.6	125.8	173.9	-179.6	0	0	0	0	109.8
76	E	25.3	Very low	30.9	Very low	154 Å²	154	147.5 Å²	147.5	72%	0.72	80%	0.797	S	S	*	*			trans	-78.3	141.8	175.3	-78.9	174.5	149	0	0	112.2	S454	E76-S454 WeakPolarHBondContact OE1-CB 3.24Å
77	Y	27.4	Very low	30.4	Very low	223 Å²	223	148.5 Å²	148.5	88%	0.875	81%	0.808	S	S	*	*			trans	-120.3	140.5	162.3	-88.6	-84.7	0	0	0	110.9
78	T	27.8	Very low	29.8	Very low	142 Å²	142	143 Å²	143	87%	0.871	81%	0.805	S	S	*	*			trans	-94.2	143.8	-179.8	36.3	0	0	0	0	111.9
79	D	28.1	Very low	29.7	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	81%	0.807	S	S	*	*			trans	-141.7	148.4	164.5	-173.7	29.1	0	0	0	109.7
80	P	32.1	Very low	29.6	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	81%	0.811	S	S	*	*			trans	-139.2	121.2	150.8	32.6	-13.8	0	0	0	114.6
81	S	29.6	Very low	29.7	Very low	92 Å²	92	133.3 Å²	133.3	64%	0.643	81%	0.807	S	S	*	*				62.1	118.9	113.9	-171.7	0	0	0	0	119.4
82	Q	31.1	Very low	29.4	Very low	195 Å²	195	134.1 Å²	134.1	91%	0.911	81%	0.81	S	S	*	*				-170.5	123.3	122.8	-103	158.1	72.7	0	0	112.6
83	A	29.6	Very low	29.6	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	81%	0.808	S	S	*	*			trans	-122.3	161.6	156	0	0	0	0	0	107.5
84	P	34.8	Very low	29.6	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	81%	0.807	S	S	*	*				-158.1	150.2	109.6	38	-18	0	0	0	118.9
85	T	29.6	Very low	29.7	Very low	138 Å²	138	132.4 Å²	132.4	85%	0.847	80%	0.803	S	S	*	*			trans	55.4	125.5	131.7	64.9	0	0	0	0	124.3
86	A	32.2	Very low	29.9	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	80%	0.803	S	S	*	*			trans	-161	111.4	137.4	0	0	0	0	0	112
87	V	33.8	Very low	30.5	Very low	141 Å²	141	130 Å²	130	86%	0.855	80%	0.803	S	S	*	*				78.8	103.9	101.6	-152.2	0	0	0	0	118
88	A	27.8	Very low	30.9	Very low	86 Å²	86	125.2 Å²	125.2	71%	0.711	80%	0.799	S	S	*	*			trans	35.9	131.5	140.3	0	0	0	0	0	123.9
89	S	32.6	Very low	31.3	Very low	127 Å²	127	125.6 Å²	125.6	89%	0.888	79%	0.794	S	S	*	*				-178.3	144.3	108.4	-81.5	0	0	0	0	112.9
90	A	27	Very low	31.6	Very low	104 Å²	104	126.5 Å²	126.5	86%	0.86	79%	0.794	S	S	*	*			trans	-86.4	142	179.6	0	0	0	0	0	112
91	A	31	Very low	31.6	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	79%	0.789	S	S	*	*			trans	-146.9	136.7	164.2	0	0	0	0	0	110.5
92	T	25.8	Very low	32	Very low	142 Å²	142	126.8 Å²	126.8	87%	0.871	79%	0.785	S	S	*	*			trans	-98.6	116.4	-175	-37.8	0	0	0	0	109.1
93	Q	30	Very low	32.3	Very low	176 Å²	176	121.6 Å²	121.6	82%	0.822	77%	0.767	S	S	*	*			trans	-151.7	107.3	167.4	-67.8	-172.5	-14.5	0	0	108.4
94	E	29.9	Very low	33	Very low	189 Å²	189	122 Å²	122	88%	0.883	76%	0.76	S	S	*	*				82.7	120	94.9	-134.9	170.9	-160.5	0	0	112.7
95	A	28.7	Very low	33.3	Very low	91 Å²	91	122.4 Å²	122.4	75%	0.752	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.5	141	-171.6	0	0	0	0	0	111.9
96	P	33.1	Very low	34.3	Very low	121 Å²	121	120 Å²	120	79%	0.786	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-69.6	147	-179.7	27.8	-32.1	0	0	0	111.6
97	P	38.8	Very low	35.1	Very low	109 Å²	109	124.1 Å²	124.1	71%	0.708	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-64.1	159.5	178.1	28.3	-34.3	0	0	0	111.5	I99	P97-I99 PolarHBondContact O-N 3.15Å
98	P	36.2	Very low	36.1	Very low	124 Å²	124	121 Å²	121	81%	0.805	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.2	-179.1	25.3	-32.2	0	0	0	110.6	E100	P98-E100 PolarHBondContact O-N 3.48Å
99	I	34.7	Very low	37.8	Very low	150 Å²	150	120.5 Å²	120.5	77%	0.769	71%	0.711	S	S	*	*			trans	-61.8	115.6	174.9	-62.3	167.4	0	0	0	107.6	P97 N101	P97-I99 PolarHBondContact O-N 3.15Å; I99-N101 PolarHBondContact O-N 3.23Å
100	E	35.7	Very low	39.8	Very low	166 Å²	166	118 Å²	118	78%	0.776	69%	0.691	S	S	*	*			trans	-56.9	124.6	168.3	-71.2	-175	160	0	0	109	P98 V102	P98-E100 PolarHBondContact O-N 3.48Å; E100-V102 PolarHBondContact O-N 3.34Å
101	N	30.7	Very low	42.6	Very low	118 Å²	118	117.6 Å²	117.6	63%	0.631	67%	0.67	S	S	*	*			trans	-53.2	124.5	-176.4	-79.9	-25.6	0	0	0	111.2	I99 T103 T104	I99-N101 PolarHBondContact O-N 3.23Å; N101-T103 PolarHBondContact O-N 2.84Å; N101-T104 PolarHBondContact O-N 3.42Å; N101-T104 PolarHBondContact O-OG1 3.39Å; N101-T104 VanDerWaalsContact O-OG1 3.05Å
102	V	38.9	Very low	45.1	Very low	92 Å²	92	115.9 Å²	115.9	56%	0.558	65%	0.649	S	S	*	*	H	α-helix	trans	-48.4	-26.8	175.3	177.5	0	0	0	0	112.3	E100 T104 L105 L106	E100-V102 PolarHBondContact O-N 3.34Å; V102-T104 PolarHBondContact O-N 2.8Å; V102-L105 PolarHBondContact O-N 2.8Å; V102-L106 HydrophobicContact CG1-CD1 3.68Å
103	T	37.4	Very low	47.8	Very low	86 Å²	86	110.4 Å²	110.4	53%	0.528	61%	0.614	S	S	.	*	H	α-helix	trans	-59.3	-22.3	174.6	-29.2	0	0	0	0	114.4	N101	N101-T103 PolarHBondContact O-N 2.84Å
104	T	44.2	Very low	50.3	Low	99 Å²	99	104.8 Å²	104.8	61%	0.607	59%	0.589	S	S	*	*	H	α-helix	trans	-88.5	-31	179.7	-28.4	0	0	0	0	112	N101 V102 L106	N101-T104 PolarHBondContact O-N 3.42Å; N101-T104 PolarHBondContact O-OG1 3.39Å; N101-T104 VanDerWaalsContact O-OG1 3.05Å; V102-T104 PolarHBondContact O-N 2.8Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 2.74Å
105	L	41.3	Very low	52.7	Low	121 Å²	121	97.3 Å²	97.3	63%	0.634	56%	0.555	S	S	*	*	H	α-helix	trans	-75.1	-18.2	180	-87.1	153.4	0	0	0	113.4	V102	V102-L105 PolarHBondContact O-N 2.8Å
106	L	50	Low	54.9	Low	87 Å²	87	98.5 Å²	98.5	46%	0.455	54%	0.54	S	S	.	.	S	Bend	trans	-100.2	-9.6	-173.5	-69.4	163.2	0	0	0	114.6	V102 T104 S108 P266	V102-L106 HydrophobicContact CG1-CD1 3.68Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 2.74Å; L106-S108 PolarHBondContact O-N 3.19Å; L106-P266 HydrophobicContact CD1-CB 3.39Å; L106-P266 HydrophobicContact CD1-CG 3.68Å
107	K	49.3	Very low	56.6	Low	179 Å²	179	97.7 Å²	97.7	78%	0.778	53%	0.529	S	S	*	.	S	Bend	trans	-73.8	-13.1	173.6	-73.2	-177.2	179.2	-179.8	0	113.5
108	S	55.3	Low	58.1	Low	74 Å²	74	97 Å²	97	52%	0.517	52%	0.518	S	S	.	.	S	Bend	trans	-143	81.8	-176.9	54	0	0	0	0	109.1	L106 T110	L106-S108 PolarHBondContact O-N 3.19Å; S108-T110 PolarHBondContact O-N 3.37Å
109	P	63.4	Low	60	Low	76 Å²	76	92.6 Å²	92.6	49%	0.494	49%	0.488	S	S	.	.			trans	-57.9	136.9	-179.8	24.8	-33.6	0	0	0	109.6	V168 I172	P109-V168 HydrophobicContact CB-CG1 3.7Å; P109-V168 HydrophobicContact CG-CG1 3.88Å; P109-I172 HydrophobicContact CB-CD1 4.19Å; P109-I172 HydrophobicContact CB-CG1 4.47Å; P109-I172 HydrophobicContact CG-CD1 4.35Å
110	T	74.7	Confident	61.8	Low	76 Å²	76	86.4 Å²	86.4	47%	0.466	46%	0.462	S	S	.	.			trans	-103.7	166.5	-179.3	80	0	0	0	0	110.3	S108 V112	S108-T110 PolarHBondContact O-N 3.37Å; T110-V112 PolarHBondContact O-N 3.48Å; T110-V112 PolarHBondContact OG1-N 2.59Å; T110-V112 VanDerWaalsContact OG1-N 3.08Å; T110-V112 PolarHBondContact OG1-O 3.48Å; T110-V112 VanDerWaalsContact OG1-O 3.11Å
111	K	85.4	Confident	63.6	Low	95 Å²	95	81 Å²	81	41%	0.413	45%	0.445	S	S	.	.	S	Bend	trans	-68.7	-10	170	-66.8	-173.5	-176.2	-163.7	0	112.9	E164 F165 A166 V168	K111-E164 HydrophobicContact CB-CG 4.27Å; K111-E164 CarbonylContact O-C 3.59Å; K111-E164 WeakPolarHBondContact O-CA 3.39Å; K111-F165 WeakPolarHBondContact CB-O 3.34Å; K111-F165 PolarHBondContact O-N 3.44Å; K111-A166 WeakPolarHBondContact CE-O 3.17Å; K111-A166 PolarHBondContact NZ-O 2.88Å; K111-V168 HydrophobicContact CG-CG2 3.71Å
112	V	84.8	Confident	65.8	Low	62 Å²	62	78.3 Å²	78.3	38%	0.376	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.8	-172.2	-174.2	0	0	0	0	110.1	T110 F162 I163 E164	T110-V112 PolarHBondContact O-N 3.48Å; T110-V112 PolarHBondContact OG1-N 2.59Å; T110-V112 VanDerWaalsContact OG1-N 3.08Å; T110-V112 PolarHBondContact OG1-O 3.48Å; T110-V112 VanDerWaalsContact OG1-O 3.11Å; V112-F162 HydrophobicContact CG1-CB 4.15Å; V112-F162 HydrophobicContact CG1-CD1 4.15Å; V112-I163 CarbonylContact C-O 3.53Å; V112-I163 WeakPolarHBondContact CA-O 3.47Å; V112-E164 HydrophobicContact CG2-CB 4.18Å; V112-E164 HydrophobicContact CG2-CG 4.11Å
113	M	80.7	Confident	67.7	Low	27 Å²	27	79 Å²	79	13%	0.133	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.3	168.9	-171.4	179.7	67	0	0	109.7	L115 M136 F162 I163 F165 V174	M113-L115 HydrophobicContact CE-CD1 4.29Å; M113-L115 HydrophobicContact CE-CD2 3.55Å; M113-L115 HydrophobicContact CE-CG 3.93Å; M113-L115 HydrophobicContact SD-CD2 4.2Å; M113-M136 HydrophobicContact CE-CE 3.97Å; M113-M136 HydrophobicContact CE-SD 3.34Å; M113-M136 WeakPolarHBondContact CE-SD 3.38Å; M113-F162 CarbonylContact O-C 3.47Å; M113-F162 WeakPolarHBondContact O-CA 3.42Å; M113-I163 HydrophobicContact CE-CB 4.44Å; M113-I163 HydrophobicContact CE-CD1 3.52Å; M113-I163 PolarHBondContact N-O 2.73Å; M113-I163 PolarHBondContact O-N 3.09Å; M113-F165 HydrophobicContact CB-CE2 4.16Å; M113-F165 HydrophobicContact CE-CE2 4.17Å; M113-V174 HydrophobicContact CE-CB 4.25Å; M113-V174 HydrophobicContact CE-CG1 3.77Å; M113-V174 HydrophobicContact SD-CB 3.51Å; M113-V174 VanDerWaalsContact SD-CB 3.51Å; M113-V174 HydrophobicContact SD-CG1 3.44Å; M113-V174 WeakPolarHBondContact SD-CG1 3.38Å; M113-V174 HydrophobicContact SD-CG2 4.22Å
114	L	83.1	Confident	69.9	Low	59 Å²	59	77.4 Å²	77.4	31%	0.309	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112	175.8	169.5	59.3	0	0	0	109.5	R116 R160 I161 F162	L114-R116 HydrophobicContact CD1-CG 4.26Å; L114-R116 HydrophobicContact CD2-CG 4.24Å; L114-R116 VanDerWaalsContact CD2-NE 3.29Å; L114-R116 HydrophobicContact CG-CG 3.95Å; L114-R160 HydrophobicContact CD1-CB 3.64Å; L114-R160 HydrophobicContact CD1-CG 4.04Å; L114-I161 WeakPolarHBondContact CA-O 3.35Å; L114-F162 HydrophobicContact CB-CD1 4.39Å; L114-F162 HydrophobicContact CB-CE1 4.5Å; L114-F162 HydrophobicContact CD1-CD1 3.97Å; L114-F162 HydrophobicContact CD1-CD2 4.4Å; L114-F162 HydrophobicContact CD1-CE1 3.78Å; L114-F162 HydrophobicContact CD1-CE2 4.22Å; L114-F162 HydrophobicContact CD1-CG 4.28Å; L114-F162 HydrophobicContact CD1-CZ 3.92Å; L114-F162 HydrophobicContact CD2-CE1 4.22Å; L114-F162 HydrophobicContact CG-CE1 4.38Å
115	L	80.3	Confident	71.9	Confident	32 Å²	32	77.1 Å²	77.1	17%	0.168	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.3	166.8	-53.3	175.1	0	0	0	109.1	M113 M118 V132 M136 I161 I163	M113-L115 HydrophobicContact CE-CD1 4.29Å; M113-L115 HydrophobicContact CE-CD2 3.55Å; M113-L115 HydrophobicContact CE-CG 3.93Å; M113-L115 HydrophobicContact SD-CD2 4.2Å; L115-M118 HydrophobicContact CB-CG 4.32Å; L115-M118 HydrophobicContact CB-SD 4.43Å; L115-M118 HydrophobicContact CD1-CG 4.48Å; L115-M118 HydrophobicContact CD1-SD 3.62Å; L115-V132 HydrophobicContact CD1-CG1 3.95Å; L115-M136 HydrophobicContact CD1-CE 3.79Å; L115-M136 HydrophobicContact CD2-CE 4.44Å; L115-I161 HydrophobicContact CB-CB 4.15Å; L115-I161 PolarHBondContact N-O 2.85Å; L115-I161 PolarHBondContact O-N 3.09Å; L115-I163 HydrophobicContact CD1-CD1 3.33Å; L115-I163 HydrophobicContact CG-CD1 3.72Å
116	R	76.1	Confident	74.1	Confident	116 Å²	116	75.6 Å²	75.6	44%	0.438	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	156.5	173.6	-60	-178.9	176.2	-152.8	9.6	108.2	L114 M118 D157	L114-R116 HydrophobicContact CD1-CG 4.26Å; L114-R116 HydrophobicContact CD2-CG 4.24Å; L114-R116 VanDerWaalsContact CD2-NE 3.29Å; L114-R116 HydrophobicContact CG-CG 3.95Å; R116-M118 VanDerWaalsContact C-N 3.25Å; R116-M118 PolarHBondContact O-N 2.78Å; R116-D157 VanDerWaalsContact CD-OD1 3.28Å; R116-D157 WeakPolarHBondContact CD-OD1 3.39Å; R116-D157 IonicContact CZ-OD1 3.38Å; R116-D157 IonicContact NE-OD1 3.12Å; R116-D157 IonicContact NH1-OD1 3.33Å; R116-D157 PolarHBondContact NH1-OD1 3.4Å; R116-D157 IonicContact NH1-OD2 3.4Å; R116-D157 PolarHBondContact NH1-OD2 2.84Å
117	N	66.9	Low	76	Confident	104 Å²	104	76 Å²	76	56%	0.556	44%	0.439	S	S	*	.	S	Bend	trans	60.6	29.6	173.7	-164.4	54.3	0	0	0	114.3	W156	N117-W156 WeakPolarHBondContact CA-O 3.44Å; N117-W156 VanDerWaalsContact CB-O 3.25Å; N117-W156 WeakPolarHBondContact CB-O 3.12Å; N117-W156 PolarHBondContact N-O 3.28Å; N117-W156 WeakPolarHBondContact OD1-CA 3.43Å; N117-W156 VanDerWaalsContact OD1-CB 3.32Å; N117-W156 WeakPolarHBondContact OD1-CB 3.3Å
118	M	71.9	Confident	77.8	Confident	94 Å²	94	68 Å²	68	46%	0.463	40%	0.404	S	S	.	.	S	Bend	trans	-77.5	-35.9	171.5	-89.6	-153.6	66.1	0	0	112.3	L115 R116 L128 V132 I161	L115-M118 HydrophobicContact CB-CG 4.32Å; L115-M118 HydrophobicContact CB-SD 4.43Å; L115-M118 HydrophobicContact CD1-CG 4.48Å; L115-M118 HydrophobicContact CD1-SD 3.62Å; R116-M118 VanDerWaalsContact C-N 3.25Å; R116-M118 PolarHBondContact O-N 2.78Å; M118-L128 HydrophobicContact CE-CD1 4.45Å; M118-V132 HydrophobicContact CE-CG2 3.69Å; M118-V132 HydrophobicContact SD-CG2 3.76Å; M118-I161 HydrophobicContact CB-CD1 3.89Å; M118-I161 HydrophobicContact CG-CD1 4.26Å; M118-I161 HydrophobicContact SD-CD1 3.84Å
119	V	75.2	Confident	79.4	Confident	31 Å²	31	68.4 Å²	68.4	19%	0.188	40%	0.398	C	S	.	.	S	Bend	trans	-143.6	153.7	179.3	-74.9	0	0	0	0	109.1	D123 V124 L128 V159	V119-D123 HydrophobicContact CB-CB 4.12Å; V119-V124 HydrophobicContact CG2-CG2 4.15Å; V119-L128 HydrophobicContact CB-CD2 4.4Å; V119-L128 HydrophobicContact CG1-CD1 3.91Å; V119-L128 HydrophobicContact CG1-CD2 4.07Å; V119-L128 HydrophobicContact CG2-CD2 3.47Å; V119-L128 VanDerWaalsContact CG2-CD2 3.47Å; V119-V159 HydrophobicContact CG2-CB 3.78Å; V119-V159 HydrophobicContact CG2-CG1 3.6Å; V119-V159 HydrophobicContact CG2-CG2 3.86Å
120	G	73.5	Confident	80.7	Confident	20 Å²	20	68 Å²	68	21%	0.206	40%	0.395	C	S	.	.			trans	-75.6	169.6	174.9	0	0	0	0	0	112.5	G122 D123 V159	G120-G122 PolarHBondContact O-N 2.9Å; G120-D123 PolarHBondContact O-N 3.01Å; G120-V159 WeakPolarHBondContact O-CG2 3.18Å
121	A	73.4	Confident	81.4	Confident	53 Å²	53	70 Å²	70	44%	0.438	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	129.9	168.1	0	0	0	0	0	110	D123 E149 A158	A121-D123 VanDerWaalsContact C-N 3.34Å; A121-E149 VanDerWaalsContact CA-OE1 3.32Å; A121-E149 WeakPolarHBondContact CA-OE1 3.39Å; A121-A158 HydrophobicContact CB-CB 3.66Å
122	G	76.4	Confident	81.4	Confident	61 Å²	61	65.9 Å²	65.9	63%	0.629	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-8.2	-177.1	0	0	0	0	0	116.3	G120 V124 E149	G120-G122 PolarHBondContact O-N 2.9Å; G122-V124 VanDerWaalsContact C-N 3.35Å; G122-E149 PolarHBondContact N-OE1 2.92Å
123	D	79.4	Confident	81.5	Confident	106 Å²	106	66.4 Å²	66.4	57%	0.567	38%	0.38	S	S	*	.			trans	-96.2	18.4	179.7	-62.4	-37.5	0	0	0	112.7	V119 G120 A121 D125	V119-D123 HydrophobicContact CB-CB 4.12Å; G120-D123 PolarHBondContact O-N 3.01Å; A121-D123 VanDerWaalsContact C-N 3.34Å; D123-D125 PolarHBondContact O-N 3.33Å
124	V	82.4	Confident	81.9	Confident	54 Å²	54	72.2 Å²	72.2	33%	0.327	41%	0.407	S	S	.	.			trans	-84	96.2	174.9	-178.7	0	0	0	0	108.7	V119 G122 L128 V147 V159	V119-V124 HydrophobicContact CG2-CG2 4.15Å; G122-V124 VanDerWaalsContact C-N 3.35Å; V124-L128 HydrophobicContact CG1-CD2 4.19Å; V124-L128 HydrophobicContact CG2-CD2 4.36Å; V124-V147 HydrophobicContact CG1-CG1 3.77Å; V124-V147 HydrophobicContact CG2-CG1 4.16Å; V124-V159 HydrophobicContact CG2-CB 4.43Å; V124-V159 HydrophobicContact CG2-CG1 3.88Å; V124-V159 HydrophobicContact CG2-CG2 3.64Å
125	D	87.4	Confident	81.8	Confident	92 Å²	92	73.1 Å²	73.1	49%	0.492	41%	0.41	S	S	.	.			trans	-85.5	174.4	171.1	65	33.5	0	0	0	112.3	D123 D127 L128	D123-D125 PolarHBondContact O-N 3.33Å; D125-D127 PolarHBondContact O-N 3.37Å; D125-D127 PolarHBondContact OD1-N 3.03Å; D125-L128 WeakPolarHBondContact OD1-CB 3.46Å; D125-L128 PolarHBondContact OD1-N 3.26Å
126	A	87.5	Confident	81.9	Confident	89 Å²	89	72.6 Å²	72.6	74%	0.736	41%	0.407	S	S	*	.	S	Bend	trans	-73	-14.5	-178.5	0	0	0	0	0	113.3	P130	A126-P130 WeakPolarHBondContact O-CD 3.3Å
127	D	88.9	Confident	82.4	Confident	97 Å²	97	69.9 Å²	69.9	52%	0.519	41%	0.409	S	S	.	.	S	Bend	trans	-96.7	-22.6	-174.5	-61.8	-38.5	0	0	0	111.6	D125 Q129 P130 E131	D125-D127 PolarHBondContact O-N 3.37Å; D125-D127 PolarHBondContact OD1-N 3.03Å; D127-Q129 PolarHBondContact O-N 3.26Å; D127-P130 WeakPolarHBondContact O-CD 3.44Å; D127-P130 WeakPolarHBondContact O-CG 3.3Å; D127-E131 VanDerWaalsContact O-CB 3.29Å; D127-E131 WeakPolarHBondContact O-CB 3.48Å; D127-E131 WeakPolarHBondContact O-CG 3.06Å; D127-E131 PolarHBondContact O-N 2.96Å
128	L	87.7	Confident	82.9	Confident	11 Å²	11	71.5 Å²	71.5	6%	0.058	41%	0.411	C	S	.	.	H	α-helix	trans	-53.9	-47.1	179.5	179.3	68.1	0	0	0	113.2	M118 V119 V124 D125 V132 V147 I161	M118-L128 HydrophobicContact CE-CD1 4.45Å; V119-L128 HydrophobicContact CB-CD2 4.4Å; V119-L128 HydrophobicContact CG1-CD1 3.91Å; V119-L128 HydrophobicContact CG1-CD2 4.07Å; V119-L128 HydrophobicContact CG2-CD2 3.47Å; V119-L128 VanDerWaalsContact CG2-CD2 3.47Å; V124-L128 HydrophobicContact CG1-CD2 4.19Å; V124-L128 HydrophobicContact CG2-CD2 4.36Å; D125-L128 WeakPolarHBondContact OD1-CB 3.46Å; D125-L128 PolarHBondContact OD1-N 3.26Å; L128-V132 HydrophobicContact CD1-CG2 3.96Å; L128-V132 HydrophobicContact CG-CG2 4.42Å; L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.02Å; L128-V147 HydrophobicContact CD2-CG1 4.06Å; L128-V147 HydrophobicContact CD2-CG2 4.38Å; L128-I161 HydrophobicContact CD1-CD1 4.37Å; L128-I161 HydrophobicContact CD2-CD1 4.19Å; L128-I161 HydrophobicContact CG-CD1 4.32Å
129	Q	88.7	Confident	83	Confident	82 Å²	82	71.9 Å²	71.9	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-51.9	-179	-173.6	179.4	-46.4	0	0	112.6	D127 Q133 C145 V147	D127-Q129 PolarHBondContact O-N 3.26Å; Q129-Q133 VanDerWaalsContact O-CB 3.3Å; Q129-Q133 WeakPolarHBondContact O-CB 3.3Å; Q129-Q133 PolarHBondContact O-N 2.81Å; Q129-C145 HydrophobicContact CG-CB 4.35Å; Q129-C145 PolarHBondContact NE2-O 3Å; Q129-V147 HydrophobicContact CB-CG2 3.85Å; Q129-V147 HydrophobicContact CG-CG2 4.14Å
130	P	90.9	Very high	83.2	Confident	67 Å²	67	70.9 Å²	70.9	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-36.8	176.2	21.7	-30.4	0	0	0	112.9	A126 D127 Q133 E134	A126-P130 WeakPolarHBondContact O-CD 3.3Å; D127-P130 WeakPolarHBondContact O-CD 3.44Å; D127-P130 WeakPolarHBondContact O-CG 3.3Å; P130-Q133 PolarHBondContact O-N 2.64Å; P130-E134 WeakPolarHBondContact O-CB 3.35Å; P130-E134 PolarHBondContact O-N 3.07Å
131	E	88.9	Confident	83.9	Confident	119 Å²	119	75.1 Å²	75.1	56%	0.556	42%	0.422	S	S	*	.	H	α-helix	trans	-62.2	-50	176.2	-75.7	-179.5	-178	0	0	112	D127 Q133 E134 E135	D127-E131 VanDerWaalsContact O-CB 3.29Å; D127-E131 WeakPolarHBondContact O-CB 3.48Å; D127-E131 WeakPolarHBondContact O-CG 3.06Å; D127-E131 PolarHBondContact O-N 2.96Å; E131-Q133 VanDerWaalsContact C-N 3.27Å; E131-Q133 PolarHBondContact O-N 3.03Å; E131-E134 PolarHBondContact O-N 3.47Å; E131-E135 WeakPolarHBondContact O-CB 3.32Å; E131-E135 PolarHBondContact O-N 2.91Å
132	V	84.9	Confident	84.6	Confident	7 Å²	7	73.8 Å²	73.8	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-63.3	-37.7	177.8	173.2	0	0	0	0	110.7	L115 M118 L128 M136 I161 I163	L115-V132 HydrophobicContact CD1-CG1 3.95Å; M118-V132 HydrophobicContact CE-CG2 3.69Å; M118-V132 HydrophobicContact SD-CG2 3.76Å; L128-V132 HydrophobicContact CD1-CG2 3.96Å; L128-V132 HydrophobicContact CG-CG2 4.42Å; L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.02Å; V132-M136 HydrophobicContact CG1-CG 4.09Å; V132-M136 WeakPolarHBondContact O-CB 3.29Å; V132-M136 WeakPolarHBondContact O-CG 3.21Å; V132-M136 PolarHBondContact O-N 3.31Å; V132-I161 HydrophobicContact CG1-CG2 3.96Å; V132-I161 HydrophobicContact CG2-CD1 4.02Å; V132-I163 HydrophobicContact CG1-CD1 3.87Å; V132-I163 HydrophobicContact CG1-CG1 4.34Å
133	Q	88.4	Confident	85.3	Confident	74 Å²	74	77.1 Å²	77.1	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-65.7	-44	176.8	-176.8	170.8	1.3	0	0	112.2	Q129 P130 E131 M136 A137 V142 C145	Q129-Q133 VanDerWaalsContact O-CB 3.3Å; Q129-Q133 WeakPolarHBondContact O-CB 3.3Å; Q129-Q133 PolarHBondContact O-N 2.81Å; P130-Q133 PolarHBondContact O-N 2.64Å; E131-Q133 VanDerWaalsContact C-N 3.27Å; E131-Q133 PolarHBondContact O-N 3.03Å; Q133-M136 PolarHBondContact O-N 2.78Å; Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 3.35Å; Q133-V142 HydrophobicContact CG-CB 4.45Å; Q133-V142 HydrophobicContact CG-CG1 4.07Å; Q133-C145 HydrophobicContact CB-CB 4.03Å; Q133-C145 HydrophobicContact CG-CB 4.32Å
134	E	87.9	Confident	85.9	Confident	148 Å²	148	78 Å²	78	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-64.9	-41.3	177.5	-173.8	172.5	-173.9	0	0	111.5	P130 E131 A137	P130-E134 WeakPolarHBondContact O-CB 3.35Å; P130-E134 PolarHBondContact O-N 3.07Å; E131-E134 PolarHBondContact O-N 3.47Å; E134-A137 PolarHBondContact O-N 2.82Å
135	E	80.5	Confident	86.3	Confident	79 Å²	79	75.9 Å²	75.9	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-43.8	176.7	-163.6	59.6	-144.1	0	0	111.4	E131 A137 K138 Y139	E131-E135 WeakPolarHBondContact O-CB 3.32Å; E131-E135 PolarHBondContact O-N 2.91Å; E135-A137 VanDerWaalsContact C-N 3.31Å; E135-A137 PolarHBondContact O-N 2.8Å; E135-K138 VanDerWaalsContact O-CB 3.31Å; E135-K138 WeakPolarHBondContact O-CB 3.35Å; E135-K138 WeakPolarHBondContact O-CG 3.17Å; E135-K138 PolarHBondContact O-N 2.84Å; E135-K138 IonicContact OE1-NZ 3.61Å; E135-K138 PolarHBondContact OE1-NZ 2.91Å; E135-K138 WeakPolarHBondContact OE2-CE 3.31Å; E135-K138 IonicContact OE2-NZ 3.76Å; E135-K138 PolarHBondContact OE2-NZ 2.91Å; E135-Y139 WeakPolarHBondContact O-CD2 3.08Å
136	M	82.5	Confident	86.5	Confident	21 Å²	21	75.3 Å²	75.3	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-71.9	-26.4	-179.2	-68.2	-73.6	151.9	0	0	112.9	M113 L115 V132 Q133 K138 Y139 G140 V142 I163 F165 V174	M113-M136 HydrophobicContact CE-CE 3.97Å; M113-M136 HydrophobicContact CE-SD 3.34Å; M113-M136 WeakPolarHBondContact CE-SD 3.38Å; L115-M136 HydrophobicContact CD1-CE 3.79Å; L115-M136 HydrophobicContact CD2-CE 4.44Å; V132-M136 HydrophobicContact CG1-CG 4.09Å; V132-M136 WeakPolarHBondContact O-CB 3.29Å; V132-M136 WeakPolarHBondContact O-CG 3.21Å; V132-M136 PolarHBondContact O-N 3.31Å; Q133-M136 PolarHBondContact O-N 2.78Å; M136-K138 PolarHBondContact O-N 3.11Å; M136-K138 VanDerWaalsContact O-N 3.16Å; M136-Y139 PolarHBondContact O-N 2.83Å; M136-Y139 HydrophobicContact SD-CD2 4.41Å; M136-G140 PolarHBondContact O-N 3.11Å; M136-V142 HydrophobicContact CB-CG2 3.7Å; M136-I163 HydrophobicContact CB-CD1 4.42Å; M136-I163 HydrophobicContact CB-CG2 4.12Å; M136-I163 HydrophobicContact CE-CD1 4.42Å; M136-I163 HydrophobicContact CG-CD1 3.54Å; M136-I163 HydrophobicContact CG-CG1 4.27Å; M136-I163 HydrophobicContact CG-CG2 4.4Å; M136-I163 HydrophobicContact SD-CD1 3.85Å; M136-F165 HydrophobicContact CB-CZ 4.25Å; M136-F165 WeakPolarHBondContact O-CE1 3.02Å; M136-F165 HydrophobicContact SD-CZ 4.28Å; M136-V174 HydrophobicContact CE-CG1 4.39Å; M136-V174 HydrophobicContact SD-CG1 4.21Å
137	A	86.6	Confident	86.5	Confident	58 Å²	58	72.2 Å²	72.2	48%	0.479	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.9	173.5	0	0	0	0	0	113	Q133 E134 E135 Y139 G140	Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 3.35Å; E134-A137 PolarHBondContact O-N 2.82Å; E135-A137 VanDerWaalsContact C-N 3.31Å; E135-A137 PolarHBondContact O-N 2.8Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 2.88Å; A137-G140 WeakPolarHBondContact CA-O 3.49Å
138	K	78.4	Confident	86.5	Confident	138 Å²	138	72.6 Å²	72.6	60%	0.6	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.6	173.3	-58.9	176.4	-172.5	169.2	0	112.8	E135 M136	E135-K138 VanDerWaalsContact O-CB 3.31Å; E135-K138 WeakPolarHBondContact O-CB 3.35Å; E135-K138 WeakPolarHBondContact O-CG 3.17Å; E135-K138 PolarHBondContact O-N 2.84Å; E135-K138 IonicContact OE1-NZ 3.61Å; E135-K138 PolarHBondContact OE1-NZ 2.91Å; E135-K138 WeakPolarHBondContact OE2-CE 3.31Å; E135-K138 IonicContact OE2-NZ 3.76Å; E135-K138 PolarHBondContact OE2-NZ 2.91Å; M136-K138 PolarHBondContact O-N 3.11Å; M136-K138 VanDerWaalsContact O-N 3.16Å
139	Y	73.6	Confident	86.4	Confident	102 Å²	102	76 Å²	76	40%	0.4	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-22.7	-176.1	-59.4	-87.9	0	0	0	113	E135 M136 A137 V174	E135-Y139 WeakPolarHBondContact O-CD2 3.08Å; M136-Y139 PolarHBondContact O-N 2.83Å; M136-Y139 HydrophobicContact SD-CD2 4.41Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 2.88Å; Y139-V174 HydrophobicContact CD1-CG2 3.99Å; Y139-V174 HydrophobicContact CD2-CG2 4.25Å; Y139-V174 HydrophobicContact CG-CG2 3.66Å
140	G	79.8	Confident	86.1	Confident	10 Å²	10	74 Å²	74	10%	0.103	37%	0.366	C	S	.	.	S	Bend	trans	174.4	177.6	176.2	0	0	0	0	0	112.7	M136 A137 V142	M136-G140 PolarHBondContact O-N 3.11Å; A137-G140 WeakPolarHBondContact CA-O 3.49Å; G140-V142 PolarHBondContact O-N 3.23Å
141	D	87.4	Confident	85.5	Confident	110 Å²	110	75.5 Å²	75.5	59%	0.588	38%	0.376	S	S	*	.			trans	-72.4	103.6	-178.4	-56.4	-56.3	0	0	0	110.1	Q143 F165 A166 Q170	D141-Q143 PolarHBondContact O-N 2.86Å; D141-F165 CarbonylContact O-C 3.31Å; D141-F165 WeakPolarHBondContact O-CA 3.11Å; D141-A166 HydrophobicContact CB-CB 3.83Å; D141-A166 PolarHBondContact O-N 2.84Å; D141-Q170 PolarHBondContact OD2-NE2 3.33Å; D141-Q170 VanDerWaalsContact OD2-NE2 3.15Å
142	V	88.8	Confident	84.8	Confident	24 Å²	24	78 Å²	78	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.8	176.4	179.7	0	0	0	0	109.5	Q133 M136 G140 C145 I163 E164 F165	Q133-V142 HydrophobicContact CG-CB 4.45Å; Q133-V142 HydrophobicContact CG-CG1 4.07Å; M136-V142 HydrophobicContact CB-CG2 3.7Å; G140-V142 PolarHBondContact O-N 3.23Å; V142-C145 HydrophobicContact CG1-CB 4.47Å; V142-I163 HydrophobicContact CG1-CG2 3.91Å; V142-I163 HydrophobicContact CG2-CG2 3.99Å; V142-E164 CarbonylContact C-O 3.54Å; V142-F165 HydrophobicContact CG2-CD1 4.26Å; V142-F165 HydrophobicContact CG2-CE1 3.9Å; V142-F165 HydrophobicContact CG2-CZ 4.47Å
143	Q	90.5	Very high	83.9	Confident	132 Å²	132	79.2 Å²	79.2	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	-42.3	174.1	-69.5	-98.6	-27.1	0	0	111.4	D141 E164 A166	D141-Q143 PolarHBondContact O-N 2.86Å; Q143-E164 HydrophobicContact CB-CB 4.24Å; Q143-E164 HydrophobicContact CB-CG 4.06Å; Q143-E164 WeakPolarHBondContact CB-O 3.33Å; Q143-E164 PolarHBondContact N-O 3.29Å; Q143-A166 HydrophobicContact CG-CB 4.15Å
144	K	91.4	Very high	82.7	Confident	125 Å²	125	80.1 Å²	80.1	54%	0.543	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	133.7	-173.2	-163.7	173.5	-178.3	179	0	110.6	I163 E164	K144-I163 CarbonylContact O-C 3.48Å; K144-I163 WeakPolarHBondContact O-CA 3.31Å; K144-E164 HydrophobicContact CB-CB 3.98Å; K144-E164 PolarHBondContact N-O 3.34Å; K144-E164 PolarHBondContact O-N 3.38Å
145	C	91	Very high	81.6	Confident	8 Å²	8	76.8 Å²	76.8	5%	0.054	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.1	168.6	-173.7	0	0	0	0	107.8	Q129 Q133 V142 F162	Q129-C145 HydrophobicContact CG-CB 4.35Å; Q129-C145 PolarHBondContact NE2-O 3Å; Q133-C145 HydrophobicContact CB-CB 4.03Å; Q133-C145 HydrophobicContact CG-CB 4.32Å; V142-C145 HydrophobicContact CG1-CB 4.47Å; C145-F162 CarbonylContact C-O 3.55Å; C145-F162 WeakPolarHBondContact CA-O 3.39Å
146	L	91.3	Very high	80.6	Confident	80 Å²	80	78.6 Å²	78.6	42%	0.419	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114.9	178.6	178.8	74	0	0	0	109.2	I161 F162	L146-I161 CarbonylContact O-C 3.51Å; L146-I161 WeakPolarHBondContact O-CA 3.39Å; L146-F162 HydrophobicContact CB-CB 4.33Å; L146-F162 HydrophobicContact CD2-CD2 4.36Å; L146-F162 PolarHBondContact N-O 2.04Å; L146-F162 PolarHBondContact O-N 3.11Å
147	V	89	Confident	79.9	Confident	24 Å²	24	78.8 Å²	78.8	15%	0.145	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.6	169.1	-177.3	0	0	0	0	108.4	V124 L128 Q129 V159 I161	V124-V147 HydrophobicContact CG1-CG1 3.77Å; V124-V147 HydrophobicContact CG2-CG1 4.16Å; L128-V147 HydrophobicContact CD2-CG1 4.06Å; L128-V147 HydrophobicContact CD2-CG2 4.38Å; Q129-V147 HydrophobicContact CB-CG2 3.85Å; Q129-V147 HydrophobicContact CG-CG2 4.14Å; V147-V159 HydrophobicContact CG1-CG1 3.7Å; V147-I161 HydrophobicContact CG1-CG1 4.29Å; V147-I161 HydrophobicContact CG2-CD1 4.3Å; V147-I161 HydrophobicContact CG2-CG1 4.1Å; V147-I161 HydrophobicContact CG2-CG2 3.9Å
148	F	88.5	Confident	79.4	Confident	106 Å²	106	76 Å²	76	47%	0.465	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.1	179	-172.8	-98.1	0	0	0	110.5	I150 R160 F162	F148-I150 HydrophobicContact CD1-CG1 3.89Å; F148-I150 HydrophobicContact CE1-CG1 3.87Å; F148-R160 PolarHBondContact N-O 2.94Å; F148-R160 PolarHBondContact O-N 2.93Å; F148-F162 HydrophobicContact CB-CE2 4.25Å
149	E	86.2	Confident	79.5	Confident	81 Å²	81	69.5 Å²	69.5	38%	0.379	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.6	172.7	-170.7	172.9	-178.4	0	0	110	A121 G122 P151 A158 V159	A121-E149 VanDerWaalsContact CA-OE1 3.32Å; A121-E149 WeakPolarHBondContact CA-OE1 3.39Å; G122-E149 PolarHBondContact N-OE1 2.92Å; E149-P151 WeakPolarHBondContact O-CD 3.36Å; E149-A158 CarbonylContact C-O 3.58Å; E149-A158 VanDerWaalsContact CA-O 3.3Å; E149-A158 WeakPolarHBondContact CA-O 3.33Å; E149-V159 HydrophobicContact CB-CG2 4.48Å; E149-V159 HydrophobicContact CG-CG2 4.21Å
150	I	81.7	Confident	80.1	Confident	41 Å²	41	67.7 Å²	67.7	21%	0.21	35%	0.354	C	S	.	.			trans	-83.5	113.7	176.3	-55.8	178.5	0	0	0	108.1	F148 N152 A153 A158 R160	F148-I150 HydrophobicContact CD1-CG1 3.89Å; F148-I150 HydrophobicContact CE1-CG1 3.87Å; I150-N152 PolarHBondContact O-N 3.49Å; I150-A153 HydrophobicContact CB-CB 3.76Å; I150-A153 HydrophobicContact CG2-CB 3.76Å; I150-A153 PolarHBondContact O-N 3.03Å; I150-A158 PolarHBondContact N-O 3.27Å; I150-R160 HydrophobicContact CD1-CG 4.19Å
151	P	77.5	Confident	80.4	Confident	98 Å²	98	67.3 Å²	67.3	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	136.4	175.3	24.7	-31.5	0	0	0	110.4	E149 A153	E149-P151 WeakPolarHBondContact O-CD 3.36Å; P151-A153 VanDerWaalsContact C-N 3.28Å; P151-A153 PolarHBondContact O-N 3.01Å
152	N	74.9	Confident	80.6	Confident	172 Å²	172	65.3 Å²	65.3	92%	0.92	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	14.2	179.1	-49.2	-43	0	0	0	116.5	I150	I150-N152 PolarHBondContact O-N 3.49Å
153	A	65.9	Low	80.5	Confident	32 Å²	32	64.1 Å²	64.1	26%	0.264	33%	0.328	S	S	.	.			trans	-77.1	158	173	0	0	0	0	0	112.4	I150 P151 A158	I150-A153 HydrophobicContact CB-CB 3.76Å; I150-A153 HydrophobicContact CG2-CB 3.76Å; I150-A153 PolarHBondContact O-N 3.03Å; P151-A153 VanDerWaalsContact C-N 3.28Å; P151-A153 PolarHBondContact O-N 3.01Å; A153-A158 HydrophobicContact CB-CB 4.12Å
154	V	62.8	Low	80.5	Confident	94 Å²	94	61.1 Å²	61.1	57%	0.57	31%	0.314	S	S	*	.			trans	-62.9	137.6	172	-165	0	0	0	0	108.5	W156 D157 A158	V154-W156 PolarHBondContact O-N 3.48Å; V154-D157 PolarHBondContact O-N 3Å; V154-A158 PolarHBondContact O-N 3.45Å; V154-A158 VanDerWaalsContact O-N 3.11Å
155	S	66.3	Low	80.2	Confident	78 Å²	78	55.1 Å²	55.1	55%	0.545	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-34.2	-166.6	60.3	0	0	0	0	115.9
156	W	58.3	Low	80	Confident	117 Å²	117	55.7 Å²	55.7	44%	0.443	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.3	-178	63.4	-90	0	0	0	114.7	N117 V154	N117-W156 WeakPolarHBondContact CA-O 3.44Å; N117-W156 VanDerWaalsContact CB-O 3.25Å; N117-W156 WeakPolarHBondContact CB-O 3.12Å; N117-W156 PolarHBondContact N-O 3.28Å; N117-W156 WeakPolarHBondContact OD1-CA 3.43Å; N117-W156 VanDerWaalsContact OD1-CB 3.32Å; N117-W156 WeakPolarHBondContact OD1-CB 3.3Å; V154-W156 PolarHBondContact O-N 3.48Å
157	D	68.2	Low	79.4	Confident	24 Å²	24	57.8 Å²	57.8	13%	0.128	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.3	175.1	-161.5	38.5	0	0	0	111.7	R116 V154 R160	R116-D157 VanDerWaalsContact CD-OD1 3.28Å; R116-D157 WeakPolarHBondContact CD-OD1 3.39Å; R116-D157 IonicContact CZ-OD1 3.38Å; R116-D157 IonicContact NE-OD1 3.12Å; R116-D157 IonicContact NH1-OD1 3.33Å; R116-D157 PolarHBondContact NH1-OD1 3.4Å; R116-D157 IonicContact NH1-OD2 3.4Å; R116-D157 PolarHBondContact NH1-OD2 2.84Å; V154-D157 PolarHBondContact O-N 3Å; D157-R160 IonicContact OD1-NE 3.73Å; D157-R160 PolarHBondContact OD1-NE 3.26Å; D157-R160 IonicContact OD1-NH2 3.44Å; D157-R160 IonicContact OD2-CZ 3.51Å; D157-R160 IonicContact OD2-NE 2.76Å; D157-R160 IonicContact OD2-NH2 3.68Å; D157-R160 PolarHBondContact OD2-NH2 2.8Å
158	A	76.1	Confident	78.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-69.6	-31.5	-177.2	0	0	0	0	0	112.8	A121 E149 I150 A153 V154	A121-A158 HydrophobicContact CB-CB 3.66Å; E149-A158 CarbonylContact C-O 3.58Å; E149-A158 VanDerWaalsContact CA-O 3.3Å; E149-A158 WeakPolarHBondContact CA-O 3.33Å; I150-A158 PolarHBondContact N-O 3.27Å; A153-A158 HydrophobicContact CB-CB 4.12Å; V154-A158 PolarHBondContact O-N 3.45Å; V154-A158 VanDerWaalsContact O-N 3.11Å
159	V	80.8	Confident	77.9	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	177.2	-174.2	0	0	0	0	110.5	V119 G120 V124 V147 E149 I161	V119-V159 HydrophobicContact CG2-CB 3.78Å; V119-V159 HydrophobicContact CG2-CG1 3.6Å; V119-V159 HydrophobicContact CG2-CG2 3.86Å; G120-V159 WeakPolarHBondContact O-CG2 3.18Å; V124-V159 HydrophobicContact CG2-CB 4.43Å; V124-V159 HydrophobicContact CG2-CG1 3.88Å; V124-V159 HydrophobicContact CG2-CG2 3.64Å; V147-V159 HydrophobicContact CG1-CG1 3.7Å; E149-V159 HydrophobicContact CB-CG2 4.48Å; E149-V159 HydrophobicContact CG-CG2 4.21Å; V159-I161 HydrophobicContact CG1-CG1 4.26Å
160	R	85.8	Confident	77.3	Confident	65 Å²	65	56.5 Å²	56.5	25%	0.245	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.4	178.4	-71	-167.7	-178.2	163.1	6.1	109.3	L114 F148 I150 D157 F162	L114-R160 HydrophobicContact CD1-CB 3.64Å; L114-R160 HydrophobicContact CD1-CG 4.04Å; F148-R160 PolarHBondContact N-O 2.94Å; F148-R160 PolarHBondContact O-N 2.93Å; I150-R160 HydrophobicContact CD1-CG 4.19Å; D157-R160 IonicContact OD1-NE 3.73Å; D157-R160 PolarHBondContact OD1-NE 3.26Å; D157-R160 IonicContact OD1-NH2 3.44Å; D157-R160 IonicContact OD2-CZ 3.51Å; D157-R160 IonicContact OD2-NE 2.76Å; D157-R160 IonicContact OD2-NH2 3.68Å; D157-R160 PolarHBondContact OD2-NH2 2.8Å; R160-F162 HydrophobicContact CB-CD2 4.47Å; R160-F162 HydrophobicContact CB-CE2 3.75Å; R160-F162 HydrophobicContact CB-CZ 4.15Å
161	I	86.7	Confident	76.4	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.5	178.2	-44.7	-179.6	0	0	0	108.4	L114 L115 M118 L128 V132 L146 V147 V159 I163	L114-I161 WeakPolarHBondContact CA-O 3.35Å; L115-I161 HydrophobicContact CB-CB 4.15Å; L115-I161 PolarHBondContact N-O 2.85Å; L115-I161 PolarHBondContact O-N 3.09Å; M118-I161 HydrophobicContact CB-CD1 3.89Å; M118-I161 HydrophobicContact CG-CD1 4.26Å; M118-I161 HydrophobicContact SD-CD1 3.84Å; L128-I161 HydrophobicContact CD1-CD1 4.37Å; L128-I161 HydrophobicContact CD2-CD1 4.19Å; L128-I161 HydrophobicContact CG-CD1 4.32Å; V132-I161 HydrophobicContact CG1-CG2 3.96Å; V132-I161 HydrophobicContact CG2-CD1 4.02Å; L146-I161 CarbonylContact O-C 3.51Å; L146-I161 WeakPolarHBondContact O-CA 3.39Å; V147-I161 HydrophobicContact CG1-CG1 4.29Å; V147-I161 HydrophobicContact CG2-CD1 4.3Å; V147-I161 HydrophobicContact CG2-CG1 4.1Å; V147-I161 HydrophobicContact CG2-CG2 3.9Å; V159-I161 HydrophobicContact CG1-CG1 4.26Å; I161-I163 HydrophobicContact CG2-CG1 4.4Å
162	F	90.6	Very high	75.6	Confident	68 Å²	68	52.2 Å²	52.2	30%	0.298	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.2	179	-59.7	-94.3	0	0	0	109.5	V112 M113 L114 C145 L146 F148 R160	V112-F162 HydrophobicContact CG1-CB 4.15Å; V112-F162 HydrophobicContact CG1-CD1 4.15Å; M113-F162 CarbonylContact O-C 3.47Å; M113-F162 WeakPolarHBondContact O-CA 3.42Å; L114-F162 HydrophobicContact CB-CD1 4.39Å; L114-F162 HydrophobicContact CB-CE1 4.5Å; L114-F162 HydrophobicContact CD1-CD1 3.97Å; L114-F162 HydrophobicContact CD1-CD2 4.4Å; L114-F162 HydrophobicContact CD1-CE1 3.78Å; L114-F162 HydrophobicContact CD1-CE2 4.22Å; L114-F162 HydrophobicContact CD1-CG 4.28Å; L114-F162 HydrophobicContact CD1-CZ 3.92Å; L114-F162 HydrophobicContact CD2-CE1 4.22Å; L114-F162 HydrophobicContact CG-CE1 4.38Å; C145-F162 CarbonylContact C-O 3.55Å; C145-F162 WeakPolarHBondContact CA-O 3.39Å; L146-F162 HydrophobicContact CB-CB 4.33Å; L146-F162 HydrophobicContact CD2-CD2 4.36Å; L146-F162 PolarHBondContact N-O 2.04Å; L146-F162 PolarHBondContact O-N 3.11Å; F148-F162 HydrophobicContact CB-CE2 4.25Å; R160-F162 HydrophobicContact CB-CD2 4.47Å; R160-F162 HydrophobicContact CB-CE2 3.75Å; R160-F162 HydrophobicContact CB-CZ 4.15Å
163	I	87.3	Confident	74.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.9	178.9	-63	144.4	0	0	0	108.1	V112 M113 L115 V132 M136 V142 K144 I161 F165	V112-I163 CarbonylContact C-O 3.53Å; V112-I163 WeakPolarHBondContact CA-O 3.47Å; M113-I163 HydrophobicContact CE-CB 4.44Å; M113-I163 HydrophobicContact CE-CD1 3.52Å; M113-I163 PolarHBondContact N-O 2.73Å; M113-I163 PolarHBondContact O-N 3.09Å; L115-I163 HydrophobicContact CD1-CD1 3.33Å; L115-I163 HydrophobicContact CG-CD1 3.72Å; V132-I163 HydrophobicContact CG1-CD1 3.87Å; V132-I163 HydrophobicContact CG1-CG1 4.34Å; M136-I163 HydrophobicContact CB-CD1 4.42Å; M136-I163 HydrophobicContact CB-CG2 4.12Å; M136-I163 HydrophobicContact CE-CD1 4.42Å; M136-I163 HydrophobicContact CG-CD1 3.54Å; M136-I163 HydrophobicContact CG-CG1 4.27Å; M136-I163 HydrophobicContact CG-CG2 4.4Å; M136-I163 HydrophobicContact SD-CD1 3.85Å; V142-I163 HydrophobicContact CG1-CG2 3.91Å; V142-I163 HydrophobicContact CG2-CG2 3.99Å; K144-I163 CarbonylContact O-C 3.48Å; K144-I163 WeakPolarHBondContact O-CA 3.31Å; I161-I163 HydrophobicContact CG2-CG1 4.4Å; I163-F165 HydrophobicContact CB-CE2 4.37Å; I163-F165 HydrophobicContact CG2-CD2 4.01Å; I163-F165 HydrophobicContact CG2-CE1 4.43Å; I163-F165 HydrophobicContact CG2-CE2 3.56Å; I163-F165 HydrophobicContact CG2-CZ 3.8Å
164	E	89.8	Confident	74.4	Confident	68 Å²	68	50.3 Å²	50.3	32%	0.318	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.2	172.2	-173	177.9	-169.8	0	0	109.4	K111 V112 V142 Q143 K144	K111-E164 HydrophobicContact CB-CG 4.27Å; K111-E164 CarbonylContact O-C 3.59Å; K111-E164 WeakPolarHBondContact O-CA 3.39Å; V112-E164 HydrophobicContact CG2-CB 4.18Å; V112-E164 HydrophobicContact CG2-CG 4.11Å; V142-E164 CarbonylContact C-O 3.54Å; Q143-E164 HydrophobicContact CB-CB 4.24Å; Q143-E164 HydrophobicContact CB-CG 4.06Å; Q143-E164 WeakPolarHBondContact CB-O 3.33Å; Q143-E164 PolarHBondContact N-O 3.29Å; K144-E164 HydrophobicContact CB-CB 3.98Å; K144-E164 PolarHBondContact N-O 3.34Å; K144-E164 PolarHBondContact O-N 3.38Å
165	F	86.2	Confident	73.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	154.5	171.2	-71.2	-85.1	0	0	0	111.2	K111 M113 M136 D141 V142 I163 K167 Q170 A171 V174	K111-F165 WeakPolarHBondContact CB-O 3.34Å; K111-F165 PolarHBondContact O-N 3.44Å; M113-F165 HydrophobicContact CB-CE2 4.16Å; M113-F165 HydrophobicContact CE-CE2 4.17Å; M136-F165 HydrophobicContact CB-CZ 4.25Å; M136-F165 WeakPolarHBondContact O-CE1 3.02Å; M136-F165 HydrophobicContact SD-CZ 4.28Å; D141-F165 CarbonylContact O-C 3.31Å; D141-F165 WeakPolarHBondContact O-CA 3.11Å; V142-F165 HydrophobicContact CG2-CD1 4.26Å; V142-F165 HydrophobicContact CG2-CE1 3.9Å; V142-F165 HydrophobicContact CG2-CZ 4.47Å; I163-F165 HydrophobicContact CB-CE2 4.37Å; I163-F165 HydrophobicContact CG2-CD2 4.01Å; I163-F165 HydrophobicContact CG2-CE1 4.43Å; I163-F165 HydrophobicContact CG2-CE2 3.56Å; I163-F165 HydrophobicContact CG2-CZ 3.8Å; F165-K167 PolarHBondContact O-N 3.31Å; F165-Q170 HydrophobicContact CB-CB 3.76Å; F165-Q170 HydrophobicContact CD1-CB 3.7Å; F165-Q170 HydrophobicContact CG-CB 3.86Å; F165-A171 HydrophobicContact CB-CB 4.45Å; F165-A171 HydrophobicContact CD2-CB 3.69Å; F165-A171 HydrophobicContact CE2-CB 4.37Å; F165-A171 HydrophobicContact CG-CB 4.38Å; F165-V174 HydrophobicContact CE2-CG2 4.35Å; F165-V174 HydrophobicContact CZ-CG2 3.94Å
166	A	87	Confident	73.5	Confident	19 Å²	19	50.5 Å²	50.5	16%	0.157	25%	0.245	C	C	.	.	S	Bend	trans	-61	-34.3	177.5	0	0	0	0	0	112.4	K111 D141 Q143	K111-A166 WeakPolarHBondContact CE-O 3.17Å; K111-A166 PolarHBondContact NZ-O 2.88Å; D141-A166 HydrophobicContact CB-CB 3.83Å; D141-A166 PolarHBondContact O-N 2.84Å; Q143-A166 HydrophobicContact CG-CB 4.15Å
167	K	78.1	Confident	73.4	Confident	124 Å²	124	47.7 Å²	47.7	54%	0.539	24%	0.236	S	C	.	.	S	Bend	trans	-129.5	151.1	-178.7	-49.3	-178.6	177.9	173.5	0	111.9	F165 E169 Q170	F165-K167 PolarHBondContact O-N 3.31Å; K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 WeakPolarHBondContact CB-OE2 3.43Å; K167-E169 PolarHBondContact O-N 3.43Å; K167-Q170 HydrophobicContact CB-CG 4.4Å; K167-Q170 WeakPolarHBondContact O-CB 3.34Å; K167-Q170 PolarHBondContact O-N 2.91Å
168	V	76.4	Confident	73.3	Confident	38 Å²	38	47.9 Å²	47.9	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-34.4	-178.6	-179.9	0	0	0	0	111	P109 K111 Q170 A171 I172	P109-V168 HydrophobicContact CB-CG1 3.7Å; P109-V168 HydrophobicContact CG-CG1 3.88Å; K111-V168 HydrophobicContact CG-CG2 3.71Å; V168-Q170 PolarHBondContact O-N 3.44Å; V168-A171 PolarHBondContact O-N 3.39Å; V168-I172 HydrophobicContact CG1-CD1 3.89Å; V168-I172 HydrophobicContact CG1-CG1 4.42Å; V168-I172 WeakPolarHBondContact O-CG1 3.35Å; V168-I172 PolarHBondContact O-N 3.27Å; V168-I172 VanDerWaalsContact O-N 3.11Å
169	E	68.6	Low	73.3	Confident	121 Å²	121	49.8 Å²	49.8	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-27.7	179.4	-52.6	82.1	-176.8	0	0	112.5	K167 K173	K167-E169 VanDerWaalsContact C-N 3.27Å; K167-E169 WeakPolarHBondContact CB-OE2 3.43Å; K167-E169 PolarHBondContact O-N 3.43Å; E169-K173 WeakPolarHBondContact O-CG 3.31Å; E169-K173 PolarHBondContact O-N 2.89Å; E169-K173 VanDerWaalsContact O-N 3.14Å
170	Q	73.5	Confident	73.2	Confident	25 Å²	25	56.3 Å²	56.3	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-71.9	-39	176.1	-70.1	169.5	-35.7	0	0	111.3	D141 F165 K167 V168 I172 K173	D141-Q170 PolarHBondContact OD2-NE2 3.33Å; D141-Q170 VanDerWaalsContact OD2-NE2 3.15Å; F165-Q170 HydrophobicContact CB-CB 3.76Å; F165-Q170 HydrophobicContact CD1-CB 3.7Å; F165-Q170 HydrophobicContact CG-CB 3.86Å; K167-Q170 HydrophobicContact CB-CG 4.4Å; K167-Q170 WeakPolarHBondContact O-CB 3.34Å; K167-Q170 PolarHBondContact O-N 2.91Å; V168-Q170 PolarHBondContact O-N 3.44Å; Q170-I172 VanDerWaalsContact C-N 3.34Å; Q170-K173 PolarHBondContact O-N 3.49Å
171	A	63.5	Low	73	Confident	10 Å²	10	54.2 Å²	54.2	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-38.4	174.4	0	0	0	0	0	111.8	F165 V168 V174	F165-A171 HydrophobicContact CB-CB 4.45Å; F165-A171 HydrophobicContact CD2-CB 3.69Å; F165-A171 HydrophobicContact CE2-CB 4.37Å; F165-A171 HydrophobicContact CG-CB 4.38Å; V168-A171 PolarHBondContact O-N 3.39Å; A171-V174 PolarHBondContact O-N 3.47Å
172	I	60.8	Low	73.1	Confident	40 Å²	40	55.8 Å²	55.8	21%	0.205	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-34.7	178.2	-65.4	167.3	0	0	0	111.8	P109 V168 Q170 V174 S175 E292	P109-I172 HydrophobicContact CB-CD1 4.19Å; P109-I172 HydrophobicContact CB-CG1 4.47Å; P109-I172 HydrophobicContact CG-CD1 4.35Å; V168-I172 HydrophobicContact CG1-CD1 3.89Å; V168-I172 HydrophobicContact CG1-CG1 4.42Å; V168-I172 WeakPolarHBondContact O-CG1 3.35Å; V168-I172 PolarHBondContact O-N 3.27Å; V168-I172 VanDerWaalsContact O-N 3.11Å; Q170-I172 VanDerWaalsContact C-N 3.34Å; I172-V174 PolarHBondContact O-N 3.2Å; I172-S175 PolarHBondContact O-N 2.99Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.02Å; I172-E292 HydrophobicContact CG2-CG 3.87Å
173	K	59.8	Low	72.9	Confident	131 Å²	131	53.8 Å²	53.8	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.2	179.2	-87.1	-178.1	177.9	-172.1	0	114.2	E169 Q170	E169-K173 WeakPolarHBondContact O-CG 3.31Å; E169-K173 PolarHBondContact O-N 2.89Å; E169-K173 VanDerWaalsContact O-N 3.14Å; Q170-K173 PolarHBondContact O-N 3.49Å
174	V	56.9	Low	73	Confident	32 Å²	32	57.1 Å²	57.1	19%	0.194	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-17	-177.1	-172.3	0	0	0	0	112	M113 M136 Y139 F165 A171 I172 D176	M113-V174 HydrophobicContact CE-CB 4.25Å; M113-V174 HydrophobicContact CE-CG1 3.77Å; M113-V174 HydrophobicContact SD-CB 3.51Å; M113-V174 VanDerWaalsContact SD-CB 3.51Å; M113-V174 HydrophobicContact SD-CG1 3.44Å; M113-V174 WeakPolarHBondContact SD-CG1 3.38Å; M113-V174 HydrophobicContact SD-CG2 4.22Å; M136-V174 HydrophobicContact CE-CG1 4.39Å; M136-V174 HydrophobicContact SD-CG1 4.21Å; Y139-V174 HydrophobicContact CD1-CG2 3.99Å; Y139-V174 HydrophobicContact CD2-CG2 4.25Å; Y139-V174 HydrophobicContact CG-CG2 3.66Å; F165-V174 HydrophobicContact CE2-CG2 4.35Å; F165-V174 HydrophobicContact CZ-CG2 3.94Å; A171-V174 PolarHBondContact O-N 3.47Å; I172-V174 PolarHBondContact O-N 3.2Å; V174-D176 PolarHBondContact O-N 3.21Å
175	S	51.3	Low	72.9	Confident	60 Å²	60	58.1 Å²	58.1	42%	0.42	31%	0.308	S	S	.	.			trans	-84.2	95.5	175	56.7	0	0	0	0	110.6	I172	I172-S175 PolarHBondContact O-N 2.99Å; I172-S175 VanDerWaalsContact O-N 3.09Å; I172-S175 PolarHBondContact O-OG 3.02Å
176	D	57.5	Low	72.9	Confident	116 Å²	116	62 Å²	62	62%	0.62	33%	0.327	S	S	*	.			trans	-50.7	157.5	160.2	-74.1	-26.9	0	0	0	110.1	V174 G178	V174-D176 PolarHBondContact O-N 3.21Å; D176-G178 WeakPolarHBondContact O-CA 3.37Å; D176-G178 PolarHBondContact O-N 3.06Å
177	F	55.9	Low	73	Confident	59 Å²	59	62.5 Å²	62.5	26%	0.259	33%	0.327	S	S	.	.			trans	-38	-17.8	-171.7	-65.3	-75.3	0	0	0	117.9	V179 I293 A296	F177-V179 VanDerWaalsContact C-N 3.32Å; F177-V179 HydrophobicContact CB-CG2 4.37Å; F177-I293 HydrophobicContact CD1-CG1 4.3Å; F177-I293 HydrophobicContact CE1-CB 4.17Å; F177-I293 HydrophobicContact CE1-CG1 4.1Å; F177-I293 HydrophobicContact CE1-CG2 4.1Å; F177-A296 HydrophobicContact CD1-CB 4.19Å; F177-A296 HydrophobicContact CD2-CB 4.13Å; F177-A296 HydrophobicContact CE1-CB 3.73Å; F177-A296 HydrophobicContact CE2-CB 3.62Å; F177-A296 HydrophobicContact CG-CB 4.38Å; F177-A296 HydrophobicContact CZ-CB 3.4Å; F177-A296 VanDerWaalsContact CZ-CB 3.4Å
178	G	66.4	Low	73.3	Confident	27 Å²	27	65.5 Å²	65.5	28%	0.278	34%	0.337	S	S	.	.			trans	94.3	-8.6	173.5	0	0	0	0	0	112.8	D176 R180	D176-G178 WeakPolarHBondContact O-CA 3.37Å; D176-G178 PolarHBondContact O-N 3.06Å; G178-R180 PolarHBondContact O-N 3.26Å
179	V	77.3	Confident	73.8	Confident	41 Å²	41	67 Å²	67	25%	0.248	34%	0.344	C	S	.	.			trans	-66.5	123.3	178.6	-174.8	0	0	0	0	109.6	F177 V182 L256 V262 E263 L264 L268	F177-V179 VanDerWaalsContact C-N 3.32Å; F177-V179 HydrophobicContact CB-CG2 4.37Å; V179-V182 HydrophobicContact CG1-CB 4.15Å; V179-V182 HydrophobicContact CG1-CG2 3.83Å; V179-L256 HydrophobicContact CG1-CD2 4.33Å; V179-L256 HydrophobicContact CG2-CD1 4.27Å; V179-V262 HydrophobicContact CG1-CG1 3.91Å; V179-E263 WeakPolarHBondContact CA-O 3.39Å; V179-L264 VanDerWaalsContact CG2-O 3.29Å; V179-L264 WeakPolarHBondContact CG2-O 3.42Å; V179-L264 PolarHBondContact N-O 3.43Å; V179-L268 HydrophobicContact CG2-CD1 3.38Å; V179-L268 HydrophobicContact CG2-CG 4.4Å
180	R	76.9	Confident	74.6	Confident	138 Å²	138	61.5 Å²	61.5	52%	0.521	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-114.1	155.9	177.5	-66.9	-172.3	-62.1	-90.3	-0.6	111.4	G178 V182 E263	G178-R180 PolarHBondContact O-N 3.26Å; R180-V182 VanDerWaalsContact C-N 3.26Å; R180-V182 PolarHBondContact O-N 3.24Å; R180-E263 HydrophobicContact CB-CB 4.42Å; R180-E263 IonicContact CZ-OE2 3.38Å; R180-E263 VanDerWaalsContact CZ-OE2 3.23Å; R180-E263 PolarHBondContact N-O 2.96Å; R180-E263 IonicContact NE-OE2 3.55Å; R180-E263 PolarHBondContact NE-OE2 2.78Å; R180-E263 IonicContact NH2-OE2 2.84Å; R180-E263 PolarHBondContact NH2-OE2 3.31Å
181	G	82.4	Confident	75.3	Confident	20 Å²	20	66.3 Å²	66.3	21%	0.206	34%	0.34	C	S	.	.	S	Bend	trans	72.2	13.9	173	0	0	0	0	0	115	P397 C398	G181-P397 CarbonylContact O-C 3.55Å; G181-P397 WeakPolarHBondContact O-CA 3.41Å; G181-C398 VanDerWaalsContact C-CB 3.45Å; G181-C398 PolarHBondContact O-N 2.97Å
182	V	88.4	Confident	76.5	Confident	35 Å²	35	68.5 Å²	68.5	21%	0.212	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.8	176.5	-177.4	0	0	0	0	110.4	V179 R180 Y199 L256 V262 V395 I396	V179-V182 HydrophobicContact CG1-CB 4.15Å; V179-V182 HydrophobicContact CG1-CG2 3.83Å; R180-V182 VanDerWaalsContact C-N 3.26Å; R180-V182 PolarHBondContact O-N 3.24Å; V182-Y199 HydrophobicContact CG2-CE2 4.25Å; V182-L256 HydrophobicContact CG1-CD2 4.12Å; V182-L256 HydrophobicContact CG2-CD2 4.22Å; V182-V262 HydrophobicContact CG2-CB 4.38Å; V182-V262 HydrophobicContact CG2-CG1 3.47Å; V182-V262 VanDerWaalsContact CG2-CG1 3.47Å; V182-V262 HydrophobicContact CG2-CG2 3.95Å; V182-V395 HydrophobicContact CG1-CG1 3.48Å; V182-V395 VanDerWaalsContact CG1-CG1 3.48Å; V182-I396 WeakPolarHBondContact CA-O 3.36Å
183	A	87.3	Confident	77.9	Confident	26 Å²	26	72.4 Å²	72.4	22%	0.215	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162.3	169.6	0	0	0	0	0	110.2	I396 C398	A183-I396 HydrophobicContact CB-CG1 4.24Å; A183-I396 PolarHBondContact N-O 3.4Å; A183-I396 PolarHBondContact O-N 3.48Å; A183-C398 HydrophobicContact CB-CB 4.15Å
184	V	88.8	Confident	79.4	Confident	69 Å²	69	66.8 Å²	66.8	42%	0.418	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.1	173.2	-176.7	0	0	0	0	108	L252 M393 A394 V395	V184-L252 HydrophobicContact CG2-CD2 4.15Å; V184-M393 HydrophobicContact CG1-CB 3.71Å; V184-M393 HydrophobicContact CG1-CG 4.22Å; V184-M393 HydrophobicContact CG1-SD 4.07Å; V184-A394 WeakPolarHBondContact CA-O 3.3Å; V184-V395 HydrophobicContact CG2-CG2 4.48Å
185	E	87.9	Confident	81	Confident	90 Å²	90	67.4 Å²	67.4	42%	0.421	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.2	-179.3	-177.7	175.3	-160.8	0	0	109.8	N195 M393 A394 I396	E185-N195 PolarHBondContact OE2-ND2 3.05Å; E185-M393 CarbonylContact O-C 3.53Å; E185-M393 VanDerWaalsContact O-CA 3.24Å; E185-M393 WeakPolarHBondContact O-CA 3.4Å; E185-A394 PolarHBondContact N-O 3.28Å; E185-A394 PolarHBondContact O-N 2.92Å; E185-I396 HydrophobicContact CB-CD1 3.99Å; E185-I396 HydrophobicContact CB-CG1 4.45Å; E185-I396 WeakPolarHBondContact OE2-CD1 3.09Å
186	E	87.3	Confident	83.1	Confident	81 Å²	81	72.1 Å²	72.1	38%	0.379	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.1	175.4	-172.8	166.9	-150.4	0	0	111	Y188 S391	E186-Y188 HydrophobicContact CB-CE1 4.27Å; E186-Y188 HydrophobicContact CB-CE2 4.21Å; E186-Y188 VanDerWaalsContact CD-CE1 3.42Å; E186-Y188 HydrophobicContact CG-CD1 4.21Å; E186-Y188 HydrophobicContact CG-CE1 3.73Å; E186-Y188 HydrophobicContact CG-CE2 4.45Å; E186-Y188 WeakPolarHBondContact OE2-CE1 3.45Å; E186-Y188 VanDerWaalsContact OE2-CZ 3.22Å; E186-Y188 PolarHBondContact OE2-OH 3.02Å; E186-S391 PolarHBondContact OE1-OG 2.95Å
187	V	88.3	Confident	84.8	Confident	29 Å²	29	72.5 Å²	72.5	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	103	176.1	-177.6	0	0	0	0	108.8	M194 F201 L392 A394	V187-M194 HydrophobicContact CG1-CE 3.9Å; V187-M194 HydrophobicContact CG1-SD 3.82Å; V187-M194 HydrophobicContact CG2-SD 4.26Å; V187-F201 HydrophobicContact CG2-CE1 4.47Å; V187-L392 HydrophobicContact CB-CB 4.19Å; V187-L392 HydrophobicContact CB-CD2 4Å; V187-L392 HydrophobicContact CB-CG 4.1Å; V187-L392 HydrophobicContact CG1-CD2 4.09Å; V187-L392 HydrophobicContact CG2-CD2 4.27Å; V187-L392 HydrophobicContact CG2-CG 4.26Å; V187-L392 PolarHBondContact N-O 3.49Å; V187-A394 HydrophobicContact CG2-CB 4.31Å
188	Y	85	Confident	86.7	Confident	188 Å²	188	70 Å²	70	74%	0.737	35%	0.353	S	S	*	.			trans	-80.2	-35.2	-178.1	-63.5	-69.3	0	0	0	114	E186	E186-Y188 HydrophobicContact CB-CE1 4.27Å; E186-Y188 HydrophobicContact CB-CE2 4.21Å; E186-Y188 VanDerWaalsContact CD-CE1 3.42Å; E186-Y188 HydrophobicContact CG-CD1 4.21Å; E186-Y188 HydrophobicContact CG-CE1 3.73Å; E186-Y188 HydrophobicContact CG-CE2 4.45Å; E186-Y188 WeakPolarHBondContact OE2-CE1 3.45Å; E186-Y188 VanDerWaalsContact OE2-CZ 3.22Å; E186-Y188 PolarHBondContact OE2-OH 3.02Å
189	D	86.1	Confident	88.1	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	35%	0.351	S	S	.	.			trans	-120.7	111.7	-177.6	176.6	18.1	0	0	0	110.4	H191 S192	D189-H191 PolarHBondContact O-N 3.38Å; D189-H191 WeakPolarHBondContact OD1-CB 3.29Å; D189-H191 IonicContact OD1-CD2 3.58Å; D189-H191 IonicContact OD1-CG 2.62Å; D189-H191 PolarHBondContact OD1-N 3.01Å; D189-S192 PolarHBondContact O-N 3.29Å; D189-S192 PolarHBondContact OD2-N 3.18Å; D189-S192 PolarHBondContact OD2-OG 3.18Å
190	L	85.6	Confident	89	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.8	178.4	-68	179.1	0	0	0	113.2	M194 Q370 I373 I374 V377 F378 Y390 L392	L190-M194 HydrophobicContact CD2-CE 3.92Å; L190-Q370 PolarHBondContact O-NE2 2.89Å; L190-I373 HydrophobicContact CD2-CG2 4.18Å; L190-I374 HydrophobicContact CB-CG1 4.23Å; L190-V377 HydrophobicContact CD1-CB 4.43Å; L190-V377 HydrophobicContact CD1-CG1 4.37Å; L190-V377 HydrophobicContact CD1-CG2 4.25Å; L190-F378 HydrophobicContact CD1-CE2 4.03Å; L190-Y390 HydrophobicContact CD1-CE2 3.87Å; L190-Y390 HydrophobicContact CG-CE2 4.35Å; L190-L392 HydrophobicContact CD2-CB 4.49Å; L190-L392 HydrophobicContact CD2-CD2 3.43Å; L190-L392 VanDerWaalsContact CD2-CD2 3.43Å
191	H	87.2	Confident	89.9	Confident	125 Å²	125	63 Å²	63	58%	0.579	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-17.8	177.3	-62.2	-71.4	0	0	0	113.1	D189	D189-H191 PolarHBondContact O-N 3.38Å; D189-H191 WeakPolarHBondContact OD1-CB 3.29Å; D189-H191 IonicContact OD1-CD2 3.58Å; D189-H191 IonicContact OD1-CG 2.62Å; D189-H191 PolarHBondContact OD1-N 3.01Å
192	S	89.5	Confident	90.3	Very high	56 Å²	56	62.3 Å²	62.3	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	-69.7	145.7	173.5	-76.2	0	0	0	0	111	D189 M194 Q370	D189-S192 PolarHBondContact O-N 3.29Å; D189-S192 PolarHBondContact OD2-N 3.18Å; D189-S192 PolarHBondContact OD2-OG 3.18Å; S192-M194 PolarHBondContact O-N 3.43Å; S192-Q370 PolarHBondContact O-NE2 3.08Å
193	P	90.7	Very high	90.4	Very high	123 Å²	123	61 Å²	61	80%	0.799	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.7	125.1	179.7	-26.1	34.4	0	0	0	112.6
194	M	91	Very high	90.3	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.064	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.3	178.5	-66.6	-69.2	171	0	0	111.8	V187 L190 S192 R196 F201 Q370 L392	V187-M194 HydrophobicContact CG1-CE 3.9Å; V187-M194 HydrophobicContact CG1-SD 3.82Å; V187-M194 HydrophobicContact CG2-SD 4.26Å; L190-M194 HydrophobicContact CD2-CE 3.92Å; S192-M194 PolarHBondContact O-N 3.43Å; M194-R196 PolarHBondContact O-N 3.1Å; M194-F201 HydrophobicContact CB-CZ 4.15Å; M194-F201 HydrophobicContact CG-CZ 4.42Å; M194-F201 HydrophobicContact SD-CE1 4Å; M194-F201 HydrophobicContact SD-CZ 4.29Å; M194-Q370 HydrophobicContact CE-CB 4.29Å; M194-Q370 HydrophobicContact CE-CG 3.88Å; M194-Q370 HydrophobicContact CG-CB 3.84Å; M194-Q370 HydrophobicContact CG-CG 4.03Å; M194-L392 HydrophobicContact CE-CD2 3.89Å; M194-L392 HydrophobicContact SD-CD2 4.38Å
195	N	91.1	Very high	89.9	Confident	44 Å²	44	58.9 Å²	58.9	24%	0.235	28%	0.279	C	S	.	.			trans	-60	107.7	177	-172	-27.8	0	0	0	110.7	E185 R197 A198 I396	E185-N195 PolarHBondContact OE2-ND2 3.05Å; N195-R197 PolarHBondContact O-N 3.04Å; N195-R197 VanDerWaalsContact O-N 3.08Å; N195-R197 WeakPolarHBondContact OD1-CB 3.35Å; N195-R197 PolarHBondContact OD1-N 3.37Å; N195-A198 WeakPolarHBondContact O-CB 3.46Å; N195-A198 PolarHBondContact O-N 3.48Å; N195-A198 VanDerWaalsContact O-N 3.09Å; N195-I396 HydrophobicContact CB-CG2 4.31Å
196	R	94.5	Very high	89.2	Confident	159 Å²	159	56.3 Å²	56.3	60%	0.6	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.4	-177.7	-72	-173.7	164.3	-174	-5.9	113.9	M194 H364	M194-R196 PolarHBondContact O-N 3.1Å; R196-H364 PolarHBondContact O-CE1 2.97Å
197	R	93.9	Very high	88.2	Confident	124 Å²	124	56 Å²	56	47%	0.468	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.9	178.3	-58.1	-171.6	-66.7	165.9	3.2	113.4	N195 P397 E402	N195-R197 PolarHBondContact O-N 3.04Å; N195-R197 VanDerWaalsContact O-N 3.08Å; N195-R197 WeakPolarHBondContact OD1-CB 3.35Å; N195-R197 PolarHBondContact OD1-N 3.37Å; R197-P397 HydrophobicContact CB-CG 4.2Å; R197-P397 WeakPolarHBondContact O-CD 3.32Å; R197-E402 IonicContact CZ-OE2 2.71Å; R197-E402 VanDerWaalsContact NH1-CD 3.28Å; R197-E402 IonicContact NH1-OE1 3.26Å; R197-E402 PolarHBondContact NH1-OE1 2.98Å; R197-E402 VanDerWaalsContact NH1-OE1 3.12Å; R197-E402 IonicContact NH1-OE2 3.1Å; R197-E402 PolarHBondContact NH1-OE2 2.87Å; R197-E402 IonicContact NH2-OE2 2.84Å; R197-E402 PolarHBondContact NH2-OE2 3.44Å
198	A	95.1	Very high	86.9	Confident	8 Å²	8	57.3 Å²	57.3	7%	0.066	27%	0.268	C	S	.	.			trans	-56.8	141.4	176.3	0	0	0	0	0	111.4	N195 F201 W365 T366 A394 V395 I396	N195-A198 WeakPolarHBondContact O-CB 3.46Å; N195-A198 PolarHBondContact O-N 3.48Å; N195-A198 VanDerWaalsContact O-N 3.09Å; A198-F201 HydrophobicContact CB-CE1 4.37Å; A198-F201 HydrophobicContact CB-CE2 4.14Å; A198-F201 HydrophobicContact CB-CZ 3.88Å; A198-W365 HydrophobicContact CB-CH2 4.31Å; A198-W365 HydrophobicContact CB-CZ2 4Å; A198-W365 VanDerWaalsContact O-CZ2 3.27Å; A198-W365 WeakPolarHBondContact O-CZ2 3.28Å; A198-T366 HydrophobicContact CB-CG2 4.44Å; A198-A394 HydrophobicContact CB-CB 4.39Å; A198-V395 CarbonylContact C-O 3.52Å; A198-V395 WeakPolarHBondContact CA-O 3.47Å; A198-I396 HydrophobicContact CB-CG2 4.15Å
199	Y	95.4	Very high	85.5	Confident	59 Å²	59	55.5 Å²	55.5	23%	0.231	27%	0.266	C	S	.	.	S	Bend	trans	-84.1	-29.5	166.9	-62.7	-60.6	0	0	0	111.3	V182 V262 V395 P397	V182-Y199 HydrophobicContact CG2-CE2 4.25Å; Y199-V262 HydrophobicContact CD1-CG2 4.39Å; Y199-V262 HydrophobicContact CD2-CG2 4.24Å; Y199-V262 HydrophobicContact CE1-CG2 3.91Å; Y199-V262 HydrophobicContact CE2-CG2 3.74Å; Y199-V395 HydrophobicContact CD2-CG1 4.29Å; Y199-V395 PolarHBondContact N-O 3.37Å; Y199-P397 HydrophobicContact CE2-CG 3.94Å
200	G	95.9	Very high	83.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	174	179.1	0	0	0	0	0	111.1	F336 V395	G200-F336 CarbonylContact C-O 3.47Å; G200-F336 WeakPolarHBondContact CA-O 3.31Å; G200-V395 PolarHBondContact O-N 3.2Å
201	F	96	Very high	81.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143	176.8	-64.1	-87.9	0	0	0	110.9	V187 M194 A198 S335 F336 W365 T366 F369 L392 M393 A394	V187-F201 HydrophobicContact CG2-CE1 4.47Å; M194-F201 HydrophobicContact CB-CZ 4.15Å; M194-F201 HydrophobicContact CG-CZ 4.42Å; M194-F201 HydrophobicContact SD-CE1 4Å; M194-F201 HydrophobicContact SD-CZ 4.29Å; A198-F201 HydrophobicContact CB-CE1 4.37Å; A198-F201 HydrophobicContact CB-CE2 4.14Å; A198-F201 HydrophobicContact CB-CZ 3.88Å; F201-S335 CarbonylContact O-C 3.55Å; F201-S335 VanDerWaalsContact O-CA 3.31Å; F201-S335 WeakPolarHBondContact O-CA 3.29Å; F201-F336 HydrophobicContact CB-CB 4.39Å; F201-F336 PolarHBondContact N-O 3.49Å; F201-F336 PolarHBondContact O-N 2.92Å; F201-W365 AromaticContact CD2-CH2 3.48Å; F201-W365 HydrophobicContact CD2-CH2 3.48Å; F201-W365 VanDerWaalsContact CD2-CH2 3.48Å; F201-W365 AromaticContact CD2-CZ3 3.67Å; F201-W365 HydrophobicContact CD2-CZ3 3.67Å; F201-W365 AromaticContact CE2-CH2 3.22Å; F201-W365 HydrophobicContact CE2-CH2 3.22Å; F201-W365 HydrophobicContact CE2-CZ2 4.08Å; F201-W365 AromaticContact CE2-CZ3 3.5Å; F201-W365 HydrophobicContact CE2-CZ3 3.5Å; F201-W365 VanDerWaalsContact CE2-CZ3 3.5Å; F201-W365 HydrophobicContact CZ-CH2 4.35Å; F201-T366 HydrophobicContact CE2-CG2 4.06Å; F201-T366 HydrophobicContact CZ-CG2 4.14Å; F201-F369 HydrophobicContact CB-CE1 3.71Å; F201-F369 HydrophobicContact CB-CZ 3.69Å; F201-F369 HydrophobicContact CD1-CD1 4.43Å; F201-F369 AromaticContact CD1-CE1 3.83Å; F201-F369 HydrophobicContact CD1-CE1 3.83Å; F201-F369 AromaticContact CD2-CD1 3.31Å; F201-F369 HydrophobicContact CD2-CD1 3.31Å; F201-F369 AromaticContact CD2-CE1 3.29Å; F201-F369 HydrophobicContact CD2-CE1 3.29Å; F201-F369 AromaticContact CD2-CG 3.99Å; F201-F369 HydrophobicContact CD2-CG 3.99Å; F201-F369 AromaticContact CD2-CZ 3.97Å; F201-F369 HydrophobicContact CD2-CZ 3.97Å; F201-F369 HydrophobicContact CE1-CE1 4.26Å; F201-F369 AromaticContact CE2-CD1 3.4Å; F201-F369 HydrophobicContact CE2-CD1 3.4Å; F201-F369 VanDerWaalsContact CE2-CD1 3.4Å; F201-F369 AromaticContact CE2-CE1 3.77Å; F201-F369 HydrophobicContact CE2-CE1 3.77Å; F201-F369 HydrophobicContact CE2-CG 4.18Å; F201-F369 AromaticContact CG-CD1 3.87Å; F201-F369 HydrophobicContact CG-CD1 3.87Å; F201-F369 AromaticContact CG-CE1 3.33Å; F201-F369 HydrophobicContact CG-CE1 3.33Å; F201-F369 AromaticContact CG-CZ 3.87Å; F201-F369 HydrophobicContact CG-CZ 3.87Å; F201-F369 HydrophobicContact CZ-CD1 4.04Å; F201-F369 HydrophobicContact CZ-CE1 4.25Å; F201-L392 HydrophobicContact CB-CD1 3.96Å; F201-L392 HydrophobicContact CD1-CD1 4.32Å; F201-L392 HydrophobicContact CD1-CG 4.41Å; F201-L392 HydrophobicContact CG-CD1 4.49Å; F201-M393 CarbonylContact C-O 3.58Å; F201-M393 VanDerWaalsContact CA-O 3.23Å; F201-M393 WeakPolarHBondContact CA-O 3.44Å; F201-A394 HydrophobicContact CD1-CB 3.79Å; F201-A394 HydrophobicContact CE1-CB 3.62Å
202	V	91.3	Very high	79.9	Confident	4 Å²	4	60 Å²	60	2%	0.024	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.1	171.5	177	0	0	0	0	107.7	A251 L252 I255 F333 M393 V395	V202-A251 HydrophobicContact CG1-CB 4.07Å; V202-A251 HydrophobicContact CG2-CB 4.34Å; V202-L252 HydrophobicContact CG2-CD2 4.27Å; V202-I255 HydrophobicContact CG2-CD1 3.47Å; V202-I255 VanDerWaalsContact CG2-CD1 3.47Å; V202-F333 HydrophobicContact CG1-CB 4.31Å; V202-F333 HydrophobicContact CG1-CD1 3.5Å; V202-F333 VanDerWaalsContact CG1-CD1 3.5Å; V202-F333 HydrophobicContact CG1-CE1 4.27Å; V202-F333 HydrophobicContact CG1-CG 4.31Å; V202-M393 HydrophobicContact CB-CB 4.4Å; V202-M393 HydrophobicContact CB-CE 4.29Å; V202-M393 HydrophobicContact CG1-CE 3.9Å; V202-M393 PolarHBondContact N-O 2.98Å; V202-M393 PolarHBondContact O-N 3.36Å; V202-V395 HydrophobicContact CG2-CG2 4.31Å
203	F	90.2	Very high	77.6	Confident	9 Å²	9	66.8 Å²	66.8	4%	0.039	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.2	176.6	-172	-121.1	0	0	0	109.9	F205 F333 S334 F336 I373 V377 Y390 L392	F203-F205 HydrophobicContact CD1-CB 4.26Å; F203-F205 AromaticContact CD1-CD1 3.45Å; F203-F205 HydrophobicContact CD1-CD1 3.45Å; F203-F205 VanDerWaalsContact CD1-CD1 3.45Å; F203-F205 HydrophobicContact CD1-CE1 4.17Å; F203-F205 HydrophobicContact CD1-CG 4.19Å; F203-F205 HydrophobicContact CE1-CB 3.74Å; F203-F205 AromaticContact CE1-CD1 3.71Å; F203-F205 HydrophobicContact CE1-CD1 3.71Å; F203-F205 AromaticContact CE1-CG 3.97Å; F203-F205 HydrophobicContact CE1-CG 3.97Å; F203-F205 HydrophobicContact CG-CD1 4.43Å; F203-F205 HydrophobicContact CZ-CB 4.25Å; F203-F333 WeakPolarHBondContact O-CA 3.45Å; F203-S334 PolarHBondContact N-O 2.91Å; F203-S334 PolarHBondContact O-N 3.38Å; F203-F336 HydrophobicContact CB-CD2 4.28Å; F203-F336 HydrophobicContact CB-CE2 3.59Å; F203-F336 HydrophobicContact CG-CE2 4.44Å; F203-I373 HydrophobicContact CD1-CD1 4.14Å; F203-I373 HydrophobicContact CD2-CD1 4.02Å; F203-I373 HydrophobicContact CD2-CG1 4.41Å; F203-I373 HydrophobicContact CE1-CD1 4.21Å; F203-I373 HydrophobicContact CE2-CD1 4.07Å; F203-I373 HydrophobicContact CE2-CG1 4.34Å; F203-I373 HydrophobicContact CG-CD1 4.05Å; F203-I373 HydrophobicContact CZ-CD1 4.18Å; F203-V377 HydrophobicContact CE2-CG2 4.2Å; F203-V377 HydrophobicContact CZ-CG2 3.85Å; F203-Y390 AromaticContact CE2-CD2 3.88Å; F203-Y390 HydrophobicContact CE2-CD2 3.88Å; F203-Y390 HydrophobicContact CE2-CG 4.13Å; F203-Y390 HydrophobicContact CZ-CG 4.37Å; F203-L392 HydrophobicContact CB-CD1 4.22Å; F203-L392 HydrophobicContact CD2-CB 4.33Å; F203-L392 HydrophobicContact CD2-CD1 4.03Å
204	L	85.9	Confident	75.2	Confident	35 Å²	35	66.5 Å²	66.5	18%	0.183	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.6	172.7	-179.3	62.2	0	0	0	109.1	F331 H332 F333 Y390 S391	L204-F331 HydrophobicContact CD1-CB 3.61Å; L204-F331 HydrophobicContact CD1-CD1 4.5Å; L204-F331 HydrophobicContact CD1-CG 4.45Å; L204-F331 HydrophobicContact CG-CB 4.34Å; L204-F331 HydrophobicContact CG-CD1 4.37Å; L204-H332 WeakPolarHBondContact CA-O 3.48Å; L204-F333 HydrophobicContact CB-CD1 3.92Å; L204-F333 HydrophobicContact CB-CE1 3.81Å; L204-F333 HydrophobicContact CD1-CD1 3.73Å; L204-F333 HydrophobicContact CD1-CD2 4Å; L204-F333 HydrophobicContact CD1-CE1 3.54Å; L204-F333 HydrophobicContact CD1-CE2 3.8Å; L204-F333 HydrophobicContact CD1-CG 3.99Å; L204-F333 HydrophobicContact CD1-CZ 3.58Å; L204-F333 HydrophobicContact CD2-CE1 4Å; L204-F333 HydrophobicContact CD2-CZ 4.1Å; L204-F333 HydrophobicContact CG-CD1 4.35Å; L204-F333 HydrophobicContact CG-CE1 3.98Å; L204-F333 HydrophobicContact CG-CZ 4.3Å; L204-Y390 CarbonylContact O-C 3.49Å; L204-Y390 WeakPolarHBondContact O-CA 3.42Å; L204-Y390 WeakPolarHBondContact O-CB 3.19Å; L204-S391 PolarHBondContact N-O 2.79Å; L204-S391 PolarHBondContact O-N 2.76Å
205	F	79.5	Confident	73.1	Confident	15 Å²	15	69.8 Å²	69.8	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.3	177.1	58.9	-82.2	0	0	0	111.1	F203 W207 F331 H332	F203-F205 HydrophobicContact CD1-CB 4.26Å; F203-F205 AromaticContact CD1-CD1 3.45Å; F203-F205 HydrophobicContact CD1-CD1 3.45Å; F203-F205 VanDerWaalsContact CD1-CD1 3.45Å; F203-F205 HydrophobicContact CD1-CE1 4.17Å; F203-F205 HydrophobicContact CD1-CG 4.19Å; F203-F205 HydrophobicContact CE1-CB 3.74Å; F203-F205 AromaticContact CE1-CD1 3.71Å; F203-F205 HydrophobicContact CE1-CD1 3.71Å; F203-F205 AromaticContact CE1-CG 3.97Å; F203-F205 HydrophobicContact CE1-CG 3.97Å; F203-F205 HydrophobicContact CG-CD1 4.43Å; F203-F205 HydrophobicContact CZ-CB 4.25Å; F205-W207 PolarHBondContact O-N 2.84Å; F205-F331 WeakPolarHBondContact O-CA 3.48Å; F205-H332 WeakPolarHBondContact CD1-O 3.25Å; F205-H332 HydrophobicContact CE2-CB 4.44Å; F205-H332 HydrophobicContact CZ-CB 4.27Å; F205-H332 AromaticContact CZ-CD2 3.74Å; F205-H332 PolarHBondContact N-O 3.42Å; F205-H332 PolarHBondContact O-N 3Å
206	K	73.6	Confident	70.9	Confident	36 Å²	36	72.2 Å²	72.2	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.4	171.8	-177	173.8	175.8	166.1	0	110.3	L208 D329 F331 E387 R389	K206-L208 HydrophobicContact CD-CD2 4.48Å; K206-L208 PolarHBondContact O-N 3.4Å; K206-D329 HydrophobicContact CD-CB 4.29Å; K206-D329 WeakPolarHBondContact CE-OD1 3.36Å; K206-D329 WeakPolarHBondContact CE-OD2 3.47Å; K206-D329 HydrophobicContact CG-CB 4.49Å; K206-D329 IonicContact NZ-OD1 3.17Å; K206-D329 PolarHBondContact NZ-OD1 2.96Å; K206-D329 IonicContact NZ-OD2 3.52Å; K206-D329 PolarHBondContact NZ-OD2 3.06Å; K206-F331 HydrophobicContact CB-CD1 4.43Å; K206-F331 HydrophobicContact CB-CE1 4.28Å; K206-E387 WeakPolarHBondContact CD-OE1 3.31Å; K206-R389 VanDerWaalsContact CD-NH2 3.34Å
207	W	66.7	Low	68.4	Low	74 Å²	74	71.1 Å²	71.1	28%	0.28	32%	0.315	S	S	.	.			trans	-74.4	121.4	175.3	-164.8	79.2	0	0	0	109.7	F205 E209 S330 H332	F205-W207 PolarHBondContact O-N 2.84Å; W207-E209 HydrophobicContact CE3-CG 3.91Å; W207-E209 HydrophobicContact CH2-CB 4.37Å; W207-E209 HydrophobicContact CH2-CG 3.47Å; W207-E209 VanDerWaalsContact CH2-CG 3.47Å; W207-E209 HydrophobicContact CZ3-CB 4.22Å; W207-E209 HydrophobicContact CZ3-CG 3.09Å; W207-S330 WeakPolarHBondContact CA-O 3.46Å; W207-S330 WeakPolarHBondContact CB-O 3.43Å; W207-S330 PolarHBondContact N-O 3.23Å; W207-H332 HydrophobicContact CB-CB 4.16Å; W207-H332 HydrophobicContact CG-CB 4.34Å
208	L	61.2	Low	65.9	Low	57 Å²	57	68.2 Å²	68.2	30%	0.298	31%	0.314	S	S	.	.			trans	-114.9	113.5	177.1	-67.8	169.3	0	0	0	107.4	K206 N210 D211	K206-L208 HydrophobicContact CD-CD2 4.48Å; K206-L208 PolarHBondContact O-N 3.4Å; L208-N210 PolarHBondContact O-N 3.15Å; L208-N210 VanDerWaalsContact O-N 3.1Å; L208-D211 HydrophobicContact CB-CB 4.03Å; L208-D211 WeakPolarHBondContact CB-OD2 3.27Å; L208-D211 WeakPolarHBondContact CD1-OD2 3.46Å; L208-D211 PolarHBondContact O-N 3.31Å
209	E	54.5	Low	63.6	Low	150 Å²	150	70.3 Å²	70.3	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-36.3	-179.5	-79.4	175.7	173.7	0	0	112.8	W207	W207-E209 HydrophobicContact CE3-CG 3.91Å; W207-E209 HydrophobicContact CH2-CB 4.37Å; W207-E209 HydrophobicContact CH2-CG 3.47Å; W207-E209 VanDerWaalsContact CH2-CG 3.47Å; W207-E209 HydrophobicContact CZ3-CB 4.22Å; W207-E209 HydrophobicContact CZ3-CG 3.09Å
210	N	43.3	Very low	61	Low	126 Å²	126	69.7 Å²	69.7	67%	0.674	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.3	-177.2	-73	-18.6	0	0	0	114.1	L208 R212	L208-N210 PolarHBondContact O-N 3.15Å; L208-N210 VanDerWaalsContact O-N 3.1Å; N210-R212 PolarHBondContact O-N 2.79Å
211	D	50.1	Low	58.2	Low	24 Å²	24	73.7 Å²	73.7	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-84.4	-11.5	-171.5	-84.9	-8.3	0	0	0	114.6	L208 R213 N214 R215	L208-D211 HydrophobicContact CB-CB 4.03Å; L208-D211 WeakPolarHBondContact CB-OD2 3.27Å; L208-D211 WeakPolarHBondContact CD1-OD2 3.46Å; L208-D211 PolarHBondContact O-N 3.31Å; D211-R213 PolarHBondContact O-N 3.03Å; D211-R213 VanDerWaalsContact O-N 3.11Å; D211-N214 PolarHBondContact O-N 2.73Å; D211-R215 HydrophobicContact CB-CG 4.22Å; D211-R215 VanDerWaalsContact CB-NE 3.34Å; D211-R215 PolarHBondContact O-N 2.76Å; D211-R215 VanDerWaalsContact O-N 3.1Å; D211-R215 IonicContact OD2-CZ 3.4Å; D211-R215 IonicContact OD2-NE 2.99Å; D211-R215 PolarHBondContact OD2-NE 3.42Å; D211-R215 IonicContact OD2-NH1 2.98Å; D211-R215 IonicContact OD2-NH2 3.97Å; D211-R215 PolarHBondContact OD2-NH2 3.05Å
212	R	47.9	Very low	55.7	Low	144 Å²	144	77.3 Å²	77.3	54%	0.543	39%	0.389	S	S	.	.	H	α-helix	trans	-54.2	-30.9	175.1	-90.2	-172.7	160.5	-168.2	-6.8	112.2	N210 L349	N210-R212 PolarHBondContact O-N 2.79Å; R212-L349 PolarHBondContact NH2-O 2.8Å
213	R	41.9	Very low	53.2	Low	199 Å²	199	82.9 Å²	82.9	75%	0.751	42%	0.418	S	S	*	.	H	α-helix	trans	-89.2	-41.3	-178.6	-72.7	-177.5	-103	-177.9	-4.7	113	D211	D211-R213 PolarHBondContact O-N 3.03Å; D211-R213 VanDerWaalsContact O-N 3.11Å
214	N	39.6	Very low	50.7	Low	117 Å²	117	85.9 Å²	85.9	63%	0.626	45%	0.452	S	S	*	.	H	α-helix	trans	-88.1	-30.2	-170.6	-70.9	-2.7	0	0	0	114.4	D211 H216	D211-N214 PolarHBondContact O-N 2.73Å; N214-H216 VanDerWaalsContact C-N 3.26Å; N214-H216 PolarHBondContact O-N 3.27Å
215	R	48	Very low	48.8	Very low	81 Å²	81	90.4 Å²	90.4	31%	0.306	48%	0.475	S	S	.	.	H	α-helix	trans	-73.1	-22.1	176.9	-74.2	-165.6	-85.6	-144.4	-11.2	112.8	D211	D211-R215 HydrophobicContact CB-CG 4.22Å; D211-R215 VanDerWaalsContact CB-NE 3.34Å; D211-R215 PolarHBondContact O-N 2.76Å; D211-R215 VanDerWaalsContact O-N 3.1Å; D211-R215 IonicContact OD2-CZ 3.4Å; D211-R215 IonicContact OD2-NE 2.99Å; D211-R215 PolarHBondContact OD2-NE 3.42Å; D211-R215 IonicContact OD2-NH1 2.98Å; D211-R215 IonicContact OD2-NH2 3.97Å; D211-R215 PolarHBondContact OD2-NH2 3.05Å
216	H	45.3	Very low	47.1	Very low	96 Å²	96	94 Å²	94	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-76.4	-26.4	-174	-117.9	-145.5	0	0	0	113.8	N214 R350	N214-H216 VanDerWaalsContact C-N 3.26Å; N214-H216 PolarHBondContact O-N 3.27Å; H216-R350 VanDerWaalsContact NE2-CZ 3.29Å; H216-R350 PolarHBondContact NE2-NH1 2.94Å
217	E	41.3	Very low	45.3	Very low	136 Å²	136	96.5 Å²	96.5	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-87.5	-30.4	173.7	-74.6	-177.5	158.8	0	0	112.5	I219 S221	E217-I219 PolarHBondContact O-N 3.22Å; E217-S221 WeakPolarHBondContact O-CA 3.34Å; E217-S221 WeakPolarHBondContact O-CB 3.39Å; E217-S221 PolarHBondContact O-N 3.16Å; E217-S221 PolarHBondContact O-OG 3.44Å
218	S	41.8	Very low	44.2	Very low	63 Å²	63	98.1 Å²	98.1	44%	0.441	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-39.8	-171.3	163.5	0	0	0	0	114.3	A222	S218-A222 WeakPolarHBondContact O-CB 3.44Å; S218-A222 PolarHBondContact O-N 3.34Å; S218-A222 VanDerWaalsContact O-N 3.16Å
219	I	45.7	Very low	44	Very low	52 Å²	52	103.7 Å²	103.7	27%	0.267	56%	0.555	S	S	.	*	H	α-helix	trans	-83.9	-32.5	-178.9	-60.2	173.5	0	0	0	111.6	E217 L356 R376	E217-I219 PolarHBondContact O-N 3.22Å; I219-L356 HydrophobicContact CG2-CD2 4.43Å; I219-R376 HydrophobicContact CD1-CG 4.34Å
220	A	40.7	Very low	44.2	Very low	45 Å²	45	99.5 Å²	99.5	37%	0.372	54%	0.541	S	S	.	.	H	α-helix	trans	-79.8	-29.5	178.4	0	0	0	0	0	113.1	Y226	A220-Y226 WeakPolarHBondContact O-CD2 3.28Å
221	S	37.4	Very low	45.5	Very low	84 Å²	84	102.7 Å²	102.7	59%	0.587	55%	0.549	S	S	*	.	H	α-helix	trans	-103.4	-16.7	-177.3	-64.9	0	0	0	0	114.9	E217 N223 G224	E217-S221 WeakPolarHBondContact O-CA 3.34Å; E217-S221 WeakPolarHBondContact O-CB 3.39Å; E217-S221 PolarHBondContact O-N 3.16Å; E217-S221 PolarHBondContact O-OG 3.44Å; S221-N223 PolarHBondContact O-N 3.44Å; S221-N223 VanDerWaalsContact O-N 3.09Å; S221-G224 PolarHBondContact O-N 2.94Å
222	A	44.4	Very low	47.1	Very low	77 Å²	77	103 Å²	103	64%	0.636	56%	0.555	S	S	*	*	S	Bend	trans	-63.5	-18.8	-178.2	0	0	0	0	0	114.2	S218	S218-A222 WeakPolarHBondContact O-CB 3.44Å; S218-A222 PolarHBondContact O-N 3.34Å; S218-A222 VanDerWaalsContact O-N 3.16Å
223	N	38.7	Very low	49	Very low	120 Å²	120	97 Å²	97	64%	0.642	54%	0.535	S	S	*	.	S	Bend	trans	-119.5	-6	178.3	-76	-18.1	0	0	0	115.4	S221 I225	S221-N223 PolarHBondContact O-N 3.44Å; S221-N223 VanDerWaalsContact O-N 3.09Å; N223-I225 HydrophobicContact CB-CD1 3.99Å; N223-I225 HydrophobicContact CB-CG1 4.38Å; N223-I225 VanDerWaalsContact O-CG1 3.25Å; N223-I225 WeakPolarHBondContact O-CG1 3.49Å; N223-I225 PolarHBondContact O-N 3.45Å
224	G	37.8	Very low	51.1	Low	73 Å²	73	97.9 Å²	97.9	75%	0.753	54%	0.544	S	S	*	.			trans	57.3	16.3	178.7	0	0	0	0	0	116.2	S221	S221-G224 PolarHBondContact O-N 2.94Å
225	I	45.5	Very low	53.5	Low	129 Å²	129	97.8 Å²	97.8	66%	0.662	54%	0.543	S	S	*	.			trans	-97.6	-12.1	-169.6	-76	163.7	0	0	0	113.5	N223 A227	N223-I225 HydrophobicContact CB-CD1 3.99Å; N223-I225 HydrophobicContact CB-CG1 4.38Å; N223-I225 VanDerWaalsContact O-CG1 3.25Å; N223-I225 WeakPolarHBondContact O-CG1 3.49Å; N223-I225 PolarHBondContact O-N 3.45Å; I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 2.93Å
226	Y	43.6	Very low	55.7	Low	92 Å²	92	94.5 Å²	94.5	36%	0.361	53%	0.532	S	S	.	.			trans	-84.7	68.2	-174.4	-62.1	-78	0	0	0	113.4	A220 S228 L356	A220-Y226 WeakPolarHBondContact O-CD2 3.28Å; Y226-S228 PolarHBondContact O-N 2.97Å; Y226-L356 PolarHBondContact OH-O 2.91Å; Y226-L356 VanDerWaalsContact OH-O 3.04Å
227	A	36.4	Very low	58.1	Low	88 Å²	88	90.4 Å²	90.4	73%	0.727	51%	0.513	S	S	*	.	S	Bend	trans	-69.9	108.9	162.4	0	0	0	0	0	109.1	I225	I225-A227 VanDerWaalsContact C-N 3.31Å; I225-A227 PolarHBondContact O-N 2.93Å
228	S	44.1	Very low	60.8	Low	108 Å²	108	84.3 Å²	84.3	76%	0.755	48%	0.484	S	S	*	.	S	Bend	trans	59.8	107.5	-177.6	67.7	0	0	0	0	115.2	Y226 P230	Y226-S228 PolarHBondContact O-N 2.97Å; S228-P230 WeakPolarHBondContact O-CD 3.25Å
229	R	56	Low	63.3	Low	173 Å²	173	81.3 Å²	81.3	65%	0.653	46%	0.463	S	S	*	.			trans	-51.4	113.5	173.4	-74.8	-177	179.8	-179.6	2.1	109.7	K231 E352	R229-K231 PolarHBondContact O-N 3.49Å; R229-E352 IonicContact NH1-OE1 2.94Å; R229-E352 PolarHBondContact NH1-OE1 3.24Å
230	P	58	Low	65.6	Low	62 Å²	62	81.6 Å²	81.6	40%	0.403	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.1	123.9	165.4	-14.5	28.8	0	0	0	106.6	S228 A232 D355	S228-P230 WeakPolarHBondContact O-CD 3.25Å; P230-A232 PolarHBondContact O-N 3.25Å; P230-D355 WeakPolarHBondContact CG-OD2 3.45Å
231	K	72.2	Confident	68	Low	193 Å²	193	80.8 Å²	80.8	84%	0.839	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-64.4	138.4	172.3	-73.8	-174.8	176.6	-175.8	0	107.8	R229	R229-K231 PolarHBondContact O-N 3.49Å
232	A	81.9	Confident	70.5	Confident	30 Å²	30	80 Å²	80	25%	0.248	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-48.4	145.7	173	0	0	0	0	0	110.4	P230 K234 M236 Y344 P353	P230-A232 PolarHBondContact O-N 3.25Å; A232-K234 PolarHBondContact O-N 3.35Å; A232-M236 HydrophobicContact CB-SD 4.15Å; A232-Y344 HydrophobicContact CB-CE1 4.41Å; A232-P353 HydrophobicContact CB-CB 3.9Å; A232-P353 HydrophobicContact CB-CG 3.86Å
233	P	88.1	Confident	72.2	Confident	19 Å²	19	79.4 Å²	79.4	12%	0.123	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-51.5	133.7	177.5	-24.9	33.4	0	0	0	111	D235 M236 K340	P233-D235 WeakPolarHBondContact CB-OD1 3.33Å; P233-D235 PolarHBondContact O-N 3.26Å; P233-D235 VanDerWaalsContact O-N 3.11Å; P233-M236 HydrophobicContact CB-CB 4.33Å; P233-M236 HydrophobicContact CG-CE 4.05Å; P233-M236 WeakPolarHBondContact O-CB 3.33Å; P233-M236 PolarHBondContact O-N 2.93Å; P233-K340 HydrophobicContact CB-CD 3.83Å; P233-K340 HydrophobicContact CG-CD 3.75Å; P233-K340 HydrophobicContact CG-CG 4.32Å
234	K	85.8	Confident	74.1	Confident	218 Å²	218	81.6 Å²	81.6	95%	0.948	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.9	-174.7	-68.4	-174.4	178.5	-177.9	0	113.7	A232	A232-K234 PolarHBondContact O-N 3.35Å
235	D	90.3	Very high	75.9	Confident	114 Å²	114	84 Å²	84	61%	0.61	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.9	178.8	55.2	-28.6	0	0	0	113.6	P233 F237 K340	P233-D235 WeakPolarHBondContact CB-OD1 3.33Å; P233-D235 PolarHBondContact O-N 3.26Å; P233-D235 VanDerWaalsContact O-N 3.11Å; D235-F237 PolarHBondContact O-N 3.05Å; D235-K340 IonicContact OD1-NZ 2.67Å; D235-K340 PolarHBondContact OD1-NZ 3.38Å; D235-K340 WeakPolarHBondContact OD2-CE 3.32Å; D235-K340 IonicContact OD2-NZ 2.96Å; D235-K340 PolarHBondContact OD2-NZ 2.98Å
236	M	94.2	Very high	77.6	Confident	12 Å²	12	78.3 Å²	78.3	6%	0.059	40%	0.402	C	S	.	.			trans	-65.9	131.4	176.8	-175.3	176.3	-77.8	0	0	110.7	A232 P233 I337 Y344 L346 P353	A232-M236 HydrophobicContact CB-SD 4.15Å; P233-M236 HydrophobicContact CB-CB 4.33Å; P233-M236 HydrophobicContact CG-CE 4.05Å; P233-M236 WeakPolarHBondContact O-CB 3.33Å; P233-M236 PolarHBondContact O-N 2.93Å; M236-I337 HydrophobicContact CE-CD1 4.13Å; M236-I337 HydrophobicContact SD-CD1 4.5Å; M236-Y344 HydrophobicContact CE-CD1 4.19Å; M236-Y344 HydrophobicContact CE-CD2 3.4Å; M236-Y344 VanDerWaalsContact CE-CD2 3.4Å; M236-Y344 HydrophobicContact CE-CE1 4.44Å; M236-Y344 HydrophobicContact CE-CE2 3.65Å; M236-Y344 HydrophobicContact CE-CG 3.69Å; M236-Y344 HydrophobicContact SD-CG 4.31Å; M236-L346 HydrophobicContact SD-CD2 3.95Å; M236-P353 HydrophobicContact SD-CB 4.12Å; M236-P353 HydrophobicContact SD-CG 4.04Å
237	F	96.4	Very high	79.6	Confident	10 Å²	10	74.9 Å²	74.9	4%	0.044	39%	0.391	C	S	.	.			trans	-77.1	127.3	169	-172.9	-83	0	0	0	109.6	D235 A239 L257 N258 T275 K283 I287	D235-F237 PolarHBondContact O-N 3.05Å; F237-A239 HydrophobicContact CE1-CB 3.77Å; F237-A239 HydrophobicContact CZ-CB 3.97Å; F237-L257 HydrophobicContact CB-CB 3.93Å; F237-L257 HydrophobicContact CD1-CB 3.69Å; F237-L257 HydrophobicContact CD1-CD1 3.78Å; F237-L257 HydrophobicContact CD1-CG 4.34Å; F237-L257 HydrophobicContact CD2-CB 3.97Å; F237-L257 HydrophobicContact CD2-CD1 3.92Å; F237-L257 HydrophobicContact CE1-CB 4.24Å; F237-L257 HydrophobicContact CE1-CD1 3.4Å; F237-L257 VanDerWaalsContact CE1-CD1 3.4Å; F237-L257 HydrophobicContact CE1-CG 4.4Å; F237-L257 HydrophobicContact CE2-CB 4.46Å; F237-L257 HydrophobicContact CE2-CD1 3.54Å; F237-L257 HydrophobicContact CG-CB 3.55Å; F237-L257 HydrophobicContact CG-CD1 4.03Å; F237-L257 HydrophobicContact CG-CG 4.44Å; F237-L257 HydrophobicContact CZ-CD1 3.27Å; F237-N258 PolarHBondContact N-OD1 2.75Å; F237-N258 PolarHBondContact O-ND2 3Å; F237-T275 WeakPolarHBondContact CE2-OG1 3.41Å; F237-K283 HydrophobicContact CD2-CD 4.38Å; F237-K283 HydrophobicContact CE2-CD 4.13Å; F237-K283 HydrophobicContact CE2-CG 4.3Å; F237-K283 HydrophobicContact CZ-CB 4.47Å; F237-K283 HydrophobicContact CZ-CD 4.47Å; F237-I287 HydrophobicContact CE1-CD1 4.5Å; F237-I287 HydrophobicContact CZ-CD1 4.14Å
238	F	97	Very high	81.9	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.035	37%	0.37	C	S	.	.			trans	-150.5	121.2	171.9	172.5	-110.2	0	0	0	108.3	A280 K283 L346 D347 R350 P353	F238-A280 HydrophobicContact CD1-CB 3.54Å; F238-A280 HydrophobicContact CE1-CB 3.7Å; F238-K283 WeakPolarHBondContact O-CD 3.5Å; F238-L346 HydrophobicContact CD2-CB 4.03Å; F238-L346 HydrophobicContact CD2-CD2 4.01Å; F238-L346 HydrophobicContact CE2-CB 4.29Å; F238-D347 WeakPolarHBondContact CZ-O 3.12Å; F238-R350 WeakPolarHBondContact CZ-O 3.42Å; F238-P353 HydrophobicContact CB-CG 3.72Å; F238-P353 HydrophobicContact CD1-CG 3.94Å; F238-P353 HydrophobicContact CD2-CG 4.11Å; F238-P353 HydrophobicContact CG-CG 3.65Å
239	A	96	Very high	84	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.338	C	S	.	.			trans	-112.8	130.4	176	0	0	0	0	0	110.6	F237 Y250 N254 K283 I287	F237-A239 HydrophobicContact CE1-CB 3.77Å; F237-A239 HydrophobicContact CZ-CB 3.97Å; A239-Y250 HydrophobicContact CB-CD1 4.13Å; A239-Y250 HydrophobicContact CB-CE1 4.25Å; A239-N254 PolarHBondContact N-OD1 3.33Å; A239-N254 PolarHBondContact O-ND2 3.14Å; A239-K283 HydrophobicContact CB-CB 3.93Å; A239-I287 HydrophobicContact CB-CD1 3.44Å; A239-I287 VanDerWaalsContact CB-CD1 3.44Å
240	K	94	Very high	85.7	Confident	58 Å²	58	59.7 Å²	59.7	25%	0.252	31%	0.307	S	S	.	.			trans	-76	136.5	169.5	-173.6	175.4	178.7	174.8	0	109.1	I242 Y250 A280 G284 G348 D351	K240-I242 PolarHBondContact O-N 2.68Å; K240-Y250 VanDerWaalsContact O-CE1 3.27Å; K240-Y250 WeakPolarHBondContact O-CE1 3.39Å; K240-A280 HydrophobicContact CB-CB 4.19Å; K240-A280 WeakPolarHBondContact CB-O 3.46Å; K240-A280 PolarHBondContact N-O 3.07Å; K240-G284 WeakPolarHBondContact O-CA 3.44Å; K240-G348 CarbonylContact C-O 3.59Å; K240-G348 WeakPolarHBondContact CA-O 3.38Å; K240-G348 WeakPolarHBondContact CG-O 3.44Å; K240-D351 IonicContact NZ-OD1 2.83Å; K240-D351 PolarHBondContact NZ-OD1 3.47Å
241	Q	90	Very high	87.3	Confident	28 Å²	28	57 Å²	57	13%	0.131	29%	0.29	C	S	.	.			trans	-70.7	116.8	177.6	-178.3	177	-19.1	0	0	110	V243 C247 Y250 G348	Q241-V243 VanDerWaalsContact CG-O 3.25Å; Q241-V243 WeakPolarHBondContact CG-O 3.34Å; Q241-V243 PolarHBondContact NE2-O 2.76Å; Q241-C247 VanDerWaalsContact OE1-CA 3.29Å; Q241-Y250 HydrophobicContact CB-CD1 4.27Å; Q241-Y250 HydrophobicContact CB-CD2 4.19Å; Q241-Y250 HydrophobicContact CB-CE1 4.49Å; Q241-Y250 HydrophobicContact CB-CE2 4.41Å; Q241-Y250 HydrophobicContact CB-CG 4.11Å; Q241-Y250 HydrophobicContact CG-CD2 3.81Å; Q241-Y250 HydrophobicContact CG-CE2 3.92Å; Q241-Y250 HydrophobicContact CG-CG 4.24Å; Q241-G348 PolarHBondContact N-O 3.33Å
242	I	89.3	Confident	88.3	Confident	68 Å²	68	50.7 Å²	50.7	35%	0.349	27%	0.265	S	S	.	.			trans	-97	-39.1	174.6	-56.4	-50.2	0	0	0	110.7	K240 Y250 G284	K240-I242 PolarHBondContact O-N 2.68Å; I242-Y250 PolarHBondContact N-OH 3.31Å; I242-G284 VanDerWaalsContact CG1-C 3.46Å
243	V	80.8	Confident	88.9	Confident	64 Å²	64	49.5 Å²	49.5	39%	0.388	26%	0.255	S	S	.	.	S	Bend	trans	-86.5	125.8	-176.9	-174.4	0	0	0	0	110.8	Q241 A246 Y250	Q241-V243 VanDerWaalsContact CG-O 3.25Å; Q241-V243 WeakPolarHBondContact CG-O 3.34Å; Q241-V243 PolarHBondContact NE2-O 2.76Å; V243-A246 HydrophobicContact CB-CB 3.88Å; V243-A246 HydrophobicContact CG1-CB 4.06Å; V243-A246 PolarHBondContact O-N 3.18Å; V243-Y250 HydrophobicContact CB-CE2 4.46Å
244	E	78.5	Confident	89.3	Confident	167 Å²	167	48.6 Å²	48.6	78%	0.78	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	144.9	171.2	-65.2	-176.8	176.5	0	0	110.8	A246	E244-A246 PolarHBondContact O-N 3.33Å; E244-A246 VanDerWaalsContact O-N 3.17Å
245	N	76.2	Confident	89.7	Confident	122 Å²	122	38.2 Å²	38.2	65%	0.652	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	6.2	-178	-50.4	-52.7	0	0	0	116.7	H297	N245-H297 PolarHBondContact O-CE1 3.39Å; N245-H297 PolarHBondContact O-NE2 3.45Å
246	A	81.3	Confident	90	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	18%	0.179	C	C	.	.			trans	-93.3	7.6	177	0	0	0	0	0	114.2	V243 E244 A248 T249 Y250	V243-A246 HydrophobicContact CB-CB 3.88Å; V243-A246 HydrophobicContact CG1-CB 4.06Å; V243-A246 PolarHBondContact O-N 3.18Å; E244-A246 PolarHBondContact O-N 3.33Å; E244-A246 VanDerWaalsContact O-N 3.17Å; A246-A248 VanDerWaalsContact C-N 3.27Å; A246-A248 PolarHBondContact O-N 2.64Å; A246-A248 VanDerWaalsContact O-N 3.12Å; A246-T249 WeakPolarHBondContact O-CB 3.4Å; A246-T249 PolarHBondContact O-N 3.43Å; A246-Y250 HydrophobicContact CB-CD2 3.76Å; A246-Y250 HydrophobicContact CB-CE2 3.68Å; A246-Y250 WeakPolarHBondContact O-CD2 3.22Å; A246-Y250 PolarHBondContact O-N 2.77Å; A246-Y250 VanDerWaalsContact O-N 3.13Å
247	C	85.6	Confident	90	Very high	19 Å²	19	33.1 Å²	33.1	13%	0.128	18%	0.176	C	C	.	.	H	α-helix	trans	-53.8	-36.9	-170.2	43.2	0	0	0	0	114.1	Q241 Y250 A251 F333	Q241-C247 VanDerWaalsContact OE1-CA 3.29Å; C247-Y250 PolarHBondContact O-N 3.2Å; C247-A251 VanDerWaalsContact O-CB 3.29Å; C247-A251 WeakPolarHBondContact O-CB 3.2Å; C247-A251 PolarHBondContact O-N 2.87Å; C247-F333 HydrophobicContact CB-CB 4.39Å; C247-F333 HydrophobicContact CB-CD2 3.79Å; C247-F333 WeakPolarHBondContact SG-CD2 3.48Å
248	A	84	Confident	90	Very high	34 Å²	34	34.4 Å²	34.4	28%	0.281	18%	0.184	S	C	.	.	H	α-helix	trans	-61.5	-44.1	175.7	0	0	0	0	0	112.6	A246 A251 L252 F333	A246-A248 VanDerWaalsContact C-N 3.27Å; A246-A248 PolarHBondContact O-N 2.64Å; A246-A248 VanDerWaalsContact O-N 3.12Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-L252 WeakPolarHBondContact O-CG 3.31Å; A248-L252 PolarHBondContact O-N 3.35Å; A248-L252 VanDerWaalsContact O-N 3.08Å; A248-F333 HydrophobicContact CB-CD2 4.06Å; A248-F333 HydrophobicContact CB-CE2 3.71Å; A248-F333 HydrophobicContact CB-CZ 4.02Å
249	T	88.7	Confident	89.8	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.08	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-46.6	178.7	-63.5	0	0	0	0	111.1	A246 A251 L252 L253 I293 H297	A246-T249 WeakPolarHBondContact O-CB 3.4Å; A246-T249 PolarHBondContact O-N 3.43Å; T249-A251 VanDerWaalsContact C-N 3.28Å; T249-A251 PolarHBondContact O-N 2.84Å; T249-L252 PolarHBondContact O-N 3.41Å; T249-L253 HydrophobicContact CG2-CD1 3.8Å; T249-L253 HydrophobicContact CG2-CG 4.2Å; T249-L253 WeakPolarHBondContact O-CB 3.03Å; T249-L253 VanDerWaalsContact O-CG 3.28Å; T249-L253 WeakPolarHBondContact O-CG 3.3Å; T249-L253 PolarHBondContact O-N 3.41Å; T249-I293 HydrophobicContact CG2-CG2 3.62Å; T249-H297 PolarHBondContact OG1-ND1 3.3Å
250	Y	92.3	Very high	89.4	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-39.9	176.4	-80.8	-92	0	0	0	111.8	A239 K240 Q241 I242 V243 A246 C247 L253 N254 G284 I287	A239-Y250 HydrophobicContact CB-CD1 4.13Å; A239-Y250 HydrophobicContact CB-CE1 4.25Å; K240-Y250 VanDerWaalsContact O-CE1 3.27Å; K240-Y250 WeakPolarHBondContact O-CE1 3.39Å; Q241-Y250 HydrophobicContact CB-CD1 4.27Å; Q241-Y250 HydrophobicContact CB-CD2 4.19Å; Q241-Y250 HydrophobicContact CB-CE1 4.49Å; Q241-Y250 HydrophobicContact CB-CE2 4.41Å; Q241-Y250 HydrophobicContact CB-CG 4.11Å; Q241-Y250 HydrophobicContact CG-CD2 3.81Å; Q241-Y250 HydrophobicContact CG-CE2 3.92Å; Q241-Y250 HydrophobicContact CG-CG 4.24Å; I242-Y250 PolarHBondContact N-OH 3.31Å; V243-Y250 HydrophobicContact CB-CE2 4.46Å; A246-Y250 HydrophobicContact CB-CD2 3.76Å; A246-Y250 HydrophobicContact CB-CE2 3.68Å; A246-Y250 WeakPolarHBondContact O-CD2 3.22Å; A246-Y250 PolarHBondContact O-N 2.77Å; A246-Y250 VanDerWaalsContact O-N 3.13Å; C247-Y250 PolarHBondContact O-N 3.2Å; Y250-L253 PolarHBondContact O-N 3.38Å; Y250-N254 VanDerWaalsContact O-CB 3.26Å; Y250-N254 WeakPolarHBondContact O-CB 3.41Å; Y250-N254 VanDerWaalsContact O-CG 3.27Å; Y250-N254 PolarHBondContact O-N 3.38Å; Y250-N254 PolarHBondContact O-ND2 2.95Å; Y250-G284 PolarHBondContact OH-O 3.28Å; Y250-I287 HydrophobicContact CD1-CD1 4.19Å; Y250-I287 HydrophobicContact CE1-CB 4.29Å; Y250-I287 HydrophobicContact CE1-CD1 3.94Å; Y250-I287 HydrophobicContact CE1-CG2 4.16Å; Y250-I287 HydrophobicContact CE2-CG2 4.39Å
251	A	90.6	Very high	88.9	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-47.3	176.5	0	0	0	0	0	112.1	V202 C247 A248 T249 I255 F333 S335	V202-A251 HydrophobicContact CG1-CB 4.07Å; V202-A251 HydrophobicContact CG2-CB 4.34Å; C247-A251 VanDerWaalsContact O-CB 3.29Å; C247-A251 WeakPolarHBondContact O-CB 3.2Å; C247-A251 PolarHBondContact O-N 2.87Å; A248-A251 PolarHBondContact O-N 2.99Å; T249-A251 VanDerWaalsContact C-N 3.28Å; T249-A251 PolarHBondContact O-N 2.84Å; A251-I255 PolarHBondContact O-N 3.12Å; A251-F333 HydrophobicContact CB-CB 3.77Å; A251-S335 WeakPolarHBondContact CA-OG 3.4Å; A251-S335 VanDerWaalsContact CB-OG 3.27Å; A251-S335 WeakPolarHBondContact CB-OG 3.34Å; A251-S335 PolarHBondContact O-OG 3.33Å
252	L	92.4	Very high	88.7	Confident	61 Å²	61	47 Å²	47	32%	0.319	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-44.8	177.3	-71.3	173.8	0	0	0	112.2	V184 V202 A248 T249 N254 I255 L256 V395	V184-L252 HydrophobicContact CG2-CD2 4.15Å; V202-L252 HydrophobicContact CG2-CD2 4.27Å; A248-L252 WeakPolarHBondContact O-CG 3.31Å; A248-L252 PolarHBondContact O-N 3.35Å; A248-L252 VanDerWaalsContact O-N 3.08Å; T249-L252 PolarHBondContact O-N 3.41Å; L252-N254 PolarHBondContact O-N 3.5Å; L252-I255 PolarHBondContact O-N 3.46Å; L252-I255 VanDerWaalsContact O-N 3.09Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 2.87Å; L252-V395 HydrophobicContact CD2-CG2 3.99Å
253	L	94.7	Very high	88.5	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-41.3	179	-69.4	177.5	0	0	0	112.1	T249 Y250 I255 L256 L257 L268 I287 I293	T249-L253 HydrophobicContact CG2-CD1 3.8Å; T249-L253 HydrophobicContact CG2-CG 4.2Å; T249-L253 WeakPolarHBondContact O-CB 3.03Å; T249-L253 VanDerWaalsContact O-CG 3.28Å; T249-L253 WeakPolarHBondContact O-CG 3.3Å; T249-L253 PolarHBondContact O-N 3.41Å; Y250-L253 PolarHBondContact O-N 3.38Å; L253-I255 PolarHBondContact O-N 3.39Å; L253-L256 PolarHBondContact O-N 3.01Å; L253-L257 HydrophobicContact CB-CD1 4.22Å; L253-L257 HydrophobicContact CD2-CD1 4.47Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 WeakPolarHBondContact O-CG 3.26Å; L253-L257 PolarHBondContact O-N 3.01Å; L253-L268 HydrophobicContact CD2-CD1 3.97Å; L253-L268 HydrophobicContact CD2-CD2 3.55Å; L253-L268 HydrophobicContact CD2-CG 4.45Å; L253-I287 HydrophobicContact CD1-CD1 3.88Å; L253-I287 HydrophobicContact CD1-CG1 4.12Å; L253-I287 HydrophobicContact CD1-CG2 3.79Å; L253-I293 HydrophobicContact CD1-CD1 4.27Å
254	N	96.1	Very high	88.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-25.2	175.3	-81.2	-21.3	0	0	0	112.5	A239 Y250 L252 N258 L346	A239-N254 PolarHBondContact N-OD1 3.33Å; A239-N254 PolarHBondContact O-ND2 3.14Å; Y250-N254 VanDerWaalsContact O-CB 3.26Å; Y250-N254 WeakPolarHBondContact O-CB 3.41Å; Y250-N254 VanDerWaalsContact O-CG 3.27Å; Y250-N254 PolarHBondContact O-N 3.38Å; Y250-N254 PolarHBondContact O-ND2 2.95Å; L252-N254 PolarHBondContact O-N 3.5Å; N254-N258 PolarHBondContact O-ND2 3.08Å; N254-L346 HydrophobicContact CB-CB 4.07Å; N254-L346 HydrophobicContact CB-CD1 3.89Å; N254-L346 VanDerWaalsContact O-CD1 3.24Å; N254-L346 WeakPolarHBondContact O-CD1 3.16Å
255	I	96	Very high	89.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-85.3	-55.8	173	-62.6	169.6	0	0	0	110.4	V202 A251 L252 L253 L257 N258 C259 I337 V395	V202-I255 HydrophobicContact CG2-CD1 3.47Å; V202-I255 VanDerWaalsContact CG2-CD1 3.47Å; A251-I255 PolarHBondContact O-N 3.12Å; L252-I255 PolarHBondContact O-N 3.46Å; L252-I255 VanDerWaalsContact O-N 3.09Å; L253-I255 PolarHBondContact O-N 3.39Å; I255-L257 PolarHBondContact O-N 3.41Å; I255-N258 PolarHBondContact O-N 3.1Å; I255-N258 VanDerWaalsContact O-N 3.09Å; I255-C259 PolarHBondContact O-N 3.45Å; I255-C259 PolarHBondContact O-SG 3.25Å; I255-I337 HydrophobicContact CB-CG2 4.26Å; I255-I337 HydrophobicContact CG1-CG2 3.87Å; I255-I337 HydrophobicContact CG2-CG2 4.24Å; I255-V395 HydrophobicContact CD1-CG2 3.71Å; I255-V395 HydrophobicContact CG2-CB 4.15Å; I255-V395 HydrophobicContact CG2-CG1 4.31Å; I255-V395 HydrophobicContact CG2-CG2 4.24Å
256	L	94.9	Very high	89.6	Confident	17 Å²	17	33.8 Å²	33.8	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-43.5	-171.8	-68.5	172.1	0	0	0	112.3	V179 V182 L252 L253 N258 C259 L264 L268 V395	V179-L256 HydrophobicContact CG1-CD2 4.33Å; V179-L256 HydrophobicContact CG2-CD1 4.27Å; V182-L256 HydrophobicContact CG1-CD2 4.12Å; V182-L256 HydrophobicContact CG2-CD2 4.22Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 VanDerWaalsContact O-CG 3.31Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 2.87Å; L253-L256 PolarHBondContact O-N 3.01Å; L256-N258 PolarHBondContact O-N 3.02Å; L256-C259 VanDerWaalsContact O-CB 3.26Å; L256-C259 WeakPolarHBondContact O-CB 3.2Å; L256-C259 PolarHBondContact O-N 2.73Å; L256-L264 HydrophobicContact CB-CD2 4Å; L256-L264 WeakPolarHBondContact O-CD2 3.48Å; L256-L268 HydrophobicContact CD1-CD1 4.5Å; L256-V395 HydrophobicContact CD2-CG1 4.26Å
257	L	95.8	Very high	89.9	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.1	-177.6	-62.4	174.1	0	0	0	113	F237 L253 I255 L264 L268 L271 K272	F237-L257 HydrophobicContact CB-CB 3.93Å; F237-L257 HydrophobicContact CD1-CB 3.69Å; F237-L257 HydrophobicContact CD1-CD1 3.78Å; F237-L257 HydrophobicContact CD1-CG 4.34Å; F237-L257 HydrophobicContact CD2-CB 3.97Å; F237-L257 HydrophobicContact CD2-CD1 3.92Å; F237-L257 HydrophobicContact CE1-CB 4.24Å; F237-L257 HydrophobicContact CE1-CD1 3.4Å; F237-L257 VanDerWaalsContact CE1-CD1 3.4Å; F237-L257 HydrophobicContact CE1-CG 4.4Å; F237-L257 HydrophobicContact CE2-CB 4.46Å; F237-L257 HydrophobicContact CE2-CD1 3.54Å; F237-L257 HydrophobicContact CG-CB 3.55Å; F237-L257 HydrophobicContact CG-CD1 4.03Å; F237-L257 HydrophobicContact CG-CG 4.44Å; F237-L257 HydrophobicContact CZ-CD1 3.27Å; L253-L257 HydrophobicContact CB-CD1 4.22Å; L253-L257 HydrophobicContact CD2-CD1 4.47Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 WeakPolarHBondContact O-CG 3.26Å; L253-L257 PolarHBondContact O-N 3.01Å; I255-L257 PolarHBondContact O-N 3.41Å; L257-L264 HydrophobicContact CD2-CD1 4.07Å; L257-L268 HydrophobicContact CD2-CB 4.13Å; L257-L271 HydrophobicContact CD1-CD2 3.92Å; L257-L271 HydrophobicContact CD1-CG 4.43Å; L257-K272 HydrophobicContact CD2-CB 4.08Å; L257-K272 HydrophobicContact CD2-CD 4.45Å; L257-K272 WeakPolarHBondContact O-CE 3.46Å; L257-K272 PolarHBondContact O-NZ 2.99Å
258	N	96.1	Very high	90.1	Very high	38 Å²	38	34 Å²	34	20%	0.203	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.4	169.7	-74.6	-61	0	0	0	113.8	F237 N254 I255 L256 I337	F237-N258 PolarHBondContact N-OD1 2.75Å; F237-N258 PolarHBondContact O-ND2 3Å; N254-N258 PolarHBondContact O-ND2 3.08Å; I255-N258 PolarHBondContact O-N 3.1Å; I255-N258 VanDerWaalsContact O-N 3.09Å; L256-N258 PolarHBondContact O-N 3.02Å; N258-I337 HydrophobicContact CB-CD1 3.74Å
259	C	92.6	Very high	90.5	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.081	19%	0.187	C	C	.	.			trans	-82.4	140.3	175.7	-60.9	0	0	0	0	111.3	I255 L256 V262 K272	I255-C259 PolarHBondContact O-N 3.45Å; I255-C259 PolarHBondContact O-SG 3.25Å; L256-C259 VanDerWaalsContact O-CB 3.26Å; L256-C259 WeakPolarHBondContact O-CB 3.2Å; L256-C259 PolarHBondContact O-N 2.73Å; C259-V262 HydrophobicContact CB-CB 4Å; C259-V262 HydrophobicContact CB-CG2 3.69Å; C259-K272 PolarHBondContact O-NZ 3.07Å
260	E	86.8	Confident	90.6	Very high	169 Å²	169	41.4 Å²	41.4	79%	0.79	21%	0.209	S	C	*	.	S	Bend	trans	-97.4	-27.7	175	-64.8	-176.2	175.6	0	0	113
261	H	83.3	Confident	90.7	Very high	158 Å²	158	41.3 Å²	41.3	73%	0.731	21%	0.208	S	C	*	.	S	Bend	trans	-108.6	30.4	-171.5	-53.1	-46.4	0	0	0	113.4
262	V	87.3	Confident	90.8	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.115	22%	0.221	C	C	.	.	S	Bend	trans	-122.5	131.7	-178.5	172.4	0	0	0	0	109.2	V179 V182 Y199 C259 L264	V179-V262 HydrophobicContact CG1-CG1 3.91Å; V182-V262 HydrophobicContact CG2-CB 4.38Å; V182-V262 HydrophobicContact CG2-CG1 3.47Å; V182-V262 VanDerWaalsContact CG2-CG1 3.47Å; V182-V262 HydrophobicContact CG2-CG2 3.95Å; Y199-V262 HydrophobicContact CD1-CG2 4.39Å; Y199-V262 HydrophobicContact CD2-CG2 4.24Å; Y199-V262 HydrophobicContact CE1-CG2 3.91Å; Y199-V262 HydrophobicContact CE2-CG2 3.74Å; C259-V262 HydrophobicContact CB-CB 4Å; C259-V262 HydrophobicContact CB-CG2 3.69Å; V262-L264 HydrophobicContact CG1-CD2 4.15Å; V262-L264 PolarHBondContact O-N 3.16Å
263	E	85.5	Confident	90.9	Very high	87 Å²	87	46.9 Å²	46.9	41%	0.407	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-74.3	93.6	169.5	-67.4	176.4	-154.9	0	0	108.6	V179 R180 G265	V179-E263 WeakPolarHBondContact CA-O 3.39Å; R180-E263 HydrophobicContact CB-CB 4.42Å; R180-E263 IonicContact CZ-OE2 3.38Å; R180-E263 VanDerWaalsContact CZ-OE2 3.23Å; R180-E263 PolarHBondContact N-O 2.96Å; R180-E263 IonicContact NE-OE2 3.55Å; R180-E263 PolarHBondContact NE-OE2 2.78Å; R180-E263 IonicContact NH2-OE2 2.84Å; R180-E263 PolarHBondContact NH2-OE2 3.31Å; E263-G265 VanDerWaalsContact C-N 3.28Å; E263-G265 PolarHBondContact O-N 3.47Å
264	L	87.8	Confident	90.9	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	26%	0.257	C	S	.	.			trans	-68.4	-28.6	-176.1	-71.2	176.7	0	0	0	112.7	V179 L256 L257 V262 L268 E269 K272	V179-L264 VanDerWaalsContact CG2-O 3.29Å; V179-L264 WeakPolarHBondContact CG2-O 3.42Å; V179-L264 PolarHBondContact N-O 3.43Å; L256-L264 HydrophobicContact CB-CD2 4Å; L256-L264 WeakPolarHBondContact O-CD2 3.48Å; L257-L264 HydrophobicContact CD2-CD1 4.07Å; V262-L264 HydrophobicContact CG1-CD2 4.15Å; V262-L264 PolarHBondContact O-N 3.16Å; L264-L268 HydrophobicContact CB-CB 3.94Å; L264-L268 HydrophobicContact CD2-CD1 4.44Å; L264-E269 HydrophobicContact CB-CG 3.99Å; L264-K272 HydrophobicContact CD1-CD 3.93Å
265	G	84	Confident	90.8	Very high	3 Å²	3	52 Å²	52	3%	0.031	26%	0.257	C	S	.	.			trans	80.9	165.4	-172.9	0	0	0	0	0	111.9	E263 I267 L268 E269	E263-G265 VanDerWaalsContact C-N 3.28Å; E263-G265 PolarHBondContact O-N 3.47Å; G265-I267 PolarHBondContact O-N 3.43Å; G265-L268 PolarHBondContact O-N 2.99Å; G265-E269 WeakPolarHBondContact O-CB 3.38Å; G265-E269 VanDerWaalsContact O-CG 3.27Å; G265-E269 WeakPolarHBondContact O-CG 3.46Å; G265-E269 PolarHBondContact O-N 3.06Å
266	P	86.3	Confident	90.7	Very high	44 Å²	44	58.3 Å²	58.3	29%	0.286	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-41.1	-163.8	22.5	-33.6	0	0	0	113.9	L106 L268 E269 D270	L106-P266 HydrophobicContact CD1-CB 3.39Å; L106-P266 HydrophobicContact CD1-CG 3.68Å; P266-L268 PolarHBondContact O-N 2.91Å; P266-E269 PolarHBondContact O-N 3.49Å; P266-D270 VanDerWaalsContact O-CB 3.32Å; P266-D270 WeakPolarHBondContact O-CB 3.31Å; P266-D270 VanDerWaalsContact O-CG 3.29Å; P266-D270 PolarHBondContact O-N 3.23Å
267	I	87.2	Confident	90.5	Very high	35 Å²	35	61.6 Å²	61.6	18%	0.179	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-45.6	-177.7	-61.5	163.6	0	0	0	110.6	G265 L271 I290 E292 I293	G265-I267 PolarHBondContact O-N 3.43Å; I267-L271 WeakPolarHBondContact O-CB 3.28Å; I267-L271 PolarHBondContact O-N 2.9Å; I267-I290 HydrophobicContact CG2-CG2 3.97Å; I267-E292 HydrophobicContact CD1-CB 3.79Å; I267-E292 HydrophobicContact CD1-CG 3.89Å; I267-I293 HydrophobicContact CG2-CG1 4.45Å
268	L	90.5	Very high	90.4	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-79.4	-29.8	-178.2	-64.8	-164.9	0	0	0	112.5	V179 L253 L256 L257 L264 G265 P266 L271 K272 I293	V179-L268 HydrophobicContact CG2-CD1 3.38Å; V179-L268 HydrophobicContact CG2-CG 4.4Å; L253-L268 HydrophobicContact CD2-CD1 3.97Å; L253-L268 HydrophobicContact CD2-CD2 3.55Å; L253-L268 HydrophobicContact CD2-CG 4.45Å; L256-L268 HydrophobicContact CD1-CD1 4.5Å; L257-L268 HydrophobicContact CD2-CB 4.13Å; L264-L268 HydrophobicContact CB-CB 3.94Å; L264-L268 HydrophobicContact CD2-CD1 4.44Å; G265-L268 PolarHBondContact O-N 2.99Å; P266-L268 PolarHBondContact O-N 2.91Å; L268-L271 HydrophobicContact CD2-CD2 4.18Å; L268-K272 VanDerWaalsContact O-CB 3.28Å; L268-K272 WeakPolarHBondContact O-CB 3.42Å; L268-K272 PolarHBondContact O-N 3.47Å; L268-I293 HydrophobicContact CD2-CD1 4.15Å
269	E	92.1	Very high	90.3	Very high	103 Å²	103	66.7 Å²	66.7	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-47.8	170.1	-74.5	170	-168.6	0	0	111.2	L264 G265 P266 K272 E273	L264-E269 HydrophobicContact CB-CG 3.99Å; G265-E269 WeakPolarHBondContact O-CB 3.38Å; G265-E269 VanDerWaalsContact O-CG 3.27Å; G265-E269 WeakPolarHBondContact O-CG 3.46Å; G265-E269 PolarHBondContact O-N 3.06Å; P266-E269 PolarHBondContact O-N 3.49Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 3.42Å; E269-E273 PolarHBondContact O-N 3.36Å
270	D	91.3	Very high	90.4	Very high	99 Å²	99	66.9 Å²	66.9	53%	0.529	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-43.4	176.6	-75	-15	0	0	0	111.1	P266 K272 E273 L274	P266-D270 VanDerWaalsContact O-CB 3.32Å; P266-D270 WeakPolarHBondContact O-CB 3.31Å; P266-D270 VanDerWaalsContact O-CG 3.29Å; P266-D270 PolarHBondContact O-N 3.23Å; D270-K272 VanDerWaalsContact C-N 3.34Å; D270-K272 PolarHBondContact O-N 3.08Å; D270-E273 PolarHBondContact O-N 3.49Å; D270-L274 WeakPolarHBondContact O-CB 3.48Å; D270-L274 PolarHBondContact O-N 3.13Å
271	L	92.6	Very high	90.9	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-44.9	173.5	172.7	64.4	0	0	0	111.3	L257 I267 L268 E273 L274 T275 A286 I287 I290 I293	L257-L271 HydrophobicContact CD1-CD2 3.92Å; L257-L271 HydrophobicContact CD1-CG 4.43Å; I267-L271 WeakPolarHBondContact O-CB 3.28Å; I267-L271 PolarHBondContact O-N 2.9Å; L268-L271 HydrophobicContact CD2-CD2 4.18Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 3.42Å; L271-L274 PolarHBondContact O-N 3.37Å; L271-T275 HydrophobicContact CD1-CG2 3.67Å; L271-T275 WeakPolarHBondContact O-CB 3.33Å; L271-T275 VanDerWaalsContact O-CG2 3.3Å; L271-T275 WeakPolarHBondContact O-CG2 3.45Å; L271-T275 PolarHBondContact O-N 3.41Å; L271-T275 PolarHBondContact O-OG1 3.03Å; L271-A286 HydrophobicContact CD1-CB 4.3Å; L271-I287 HydrophobicContact CD1-CG1 4.08Å; L271-I287 HydrophobicContact CD2-CG1 3.86Å; L271-I290 HydrophobicContact CB-CD1 4.06Å; L271-I290 HydrophobicContact CD1-CD1 3.73Å; L271-I290 HydrophobicContact CD2-CD1 4.22Å; L271-I290 HydrophobicContact CG-CD1 4.2Å; L271-I293 HydrophobicContact CD2-CD1 4.05Å
272	K	94	Very high	91.5	Very high	69 Å²	69	58.8 Å²	58.8	30%	0.3	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-39.7	179.1	-169.8	167.4	174.6	166.1	0	111.6	L257 C259 L264 L268 E269 D270 T275 K276	L257-K272 HydrophobicContact CD2-CB 4.08Å; L257-K272 HydrophobicContact CD2-CD 4.45Å; L257-K272 WeakPolarHBondContact O-CE 3.46Å; L257-K272 PolarHBondContact O-NZ 2.99Å; C259-K272 PolarHBondContact O-NZ 3.07Å; L264-K272 HydrophobicContact CD1-CD 3.93Å; L268-K272 VanDerWaalsContact O-CB 3.28Å; L268-K272 WeakPolarHBondContact O-CB 3.42Å; L268-K272 PolarHBondContact O-N 3.47Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 3.42Å; D270-K272 VanDerWaalsContact C-N 3.34Å; D270-K272 PolarHBondContact O-N 3.08Å; K272-T275 PolarHBondContact O-OG1 3.14Å; K272-K276 WeakPolarHBondContact O-CG 3.33Å
273	E	94.1	Very high	91.9	Very high	113 Å²	113	59 Å²	59	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-70.7	-49.8	177.3	-168.6	62.5	-143.5	0	0	111.8	E269 D270 L271 T275 K276	E269-E273 PolarHBondContact O-N 3.36Å; D270-E273 PolarHBondContact O-N 3.49Å; L271-E273 VanDerWaalsContact C-N 3.31Å; L271-E273 PolarHBondContact O-N 3.42Å; E273-T275 PolarHBondContact O-N 2.95Å; E273-K276 WeakPolarHBondContact O-CB 3.35Å; E273-K276 WeakPolarHBondContact O-CG 3.26Å; E273-K276 PolarHBondContact O-N 3.39Å; E273-K276 VanDerWaalsContact O-N 3.15Å; E273-K276 WeakPolarHBondContact OE1-CD 3.07Å; E273-K276 IonicContact OE1-NZ 2.75Å; E273-K276 PolarHBondContact OE1-NZ 3.05Å; E273-K276 WeakPolarHBondContact OE2-CE 3.43Å; E273-K276 IonicContact OE2-NZ 3.4Å; E273-K276 PolarHBondContact OE2-NZ 3.36Å
274	L	94	Very high	92.4	Very high	110 Å²	110	54.9 Å²	54.9	58%	0.576	30%	0.3	S	S	*	.	H	α-helix	trans	-56.1	-38	-179.3	177.6	65.3	0	0	0	111.7	D270 L271 K276 M278	D270-L274 WeakPolarHBondContact O-CB 3.48Å; D270-L274 PolarHBondContact O-N 3.13Å; L271-L274 PolarHBondContact O-N 3.37Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-M278 HydrophobicContact CG-CE 4.38Å; L274-M278 VanDerWaalsContact O-CE 3.27Å; L274-M278 WeakPolarHBondContact O-CE 3.34Å
275	T	94.9	Very high	92.6	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.012	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.5	-175.1	57.6	0	0	0	0	114.9	F237 L271 K272 E273 G277 M278 K283 A286	F237-T275 WeakPolarHBondContact CE2-OG1 3.41Å; L271-T275 HydrophobicContact CD1-CG2 3.67Å; L271-T275 WeakPolarHBondContact O-CB 3.33Å; L271-T275 VanDerWaalsContact O-CG2 3.3Å; L271-T275 WeakPolarHBondContact O-CG2 3.45Å; L271-T275 PolarHBondContact O-N 3.41Å; L271-T275 PolarHBondContact O-OG1 3.03Å; K272-T275 PolarHBondContact O-OG1 3.14Å; E273-T275 PolarHBondContact O-N 2.95Å; T275-G277 PolarHBondContact O-N 3.08Å; T275-M278 HydrophobicContact CG2-SD 3.98Å; T275-M278 PolarHBondContact O-N 3.2Å; T275-K283 HydrophobicContact CG2-CG 4.08Å; T275-K283 VanDerWaalsContact O-CE 3.22Å; T275-K283 WeakPolarHBondContact O-CE 3.45Å; T275-A286 HydrophobicContact CG2-CB 3.96Å
276	K	93.7	Very high	93.1	Very high	133 Å²	133	58.8 Å²	58.8	58%	0.578	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	124.4	173.6	-75.3	-177.1	-178.1	169	0	110.4	K272 E273 L274 M278	K272-K276 WeakPolarHBondContact O-CG 3.33Å; E273-K276 WeakPolarHBondContact O-CB 3.35Å; E273-K276 WeakPolarHBondContact O-CG 3.26Å; E273-K276 PolarHBondContact O-N 3.39Å; E273-K276 VanDerWaalsContact O-N 3.15Å; E273-K276 WeakPolarHBondContact OE1-CD 3.07Å; E273-K276 IonicContact OE1-NZ 2.75Å; E273-K276 PolarHBondContact OE1-NZ 3.05Å; E273-K276 WeakPolarHBondContact OE2-CE 3.43Å; E273-K276 IonicContact OE2-NZ 3.4Å; E273-K276 PolarHBondContact OE2-NZ 3.36Å; L274-K276 VanDerWaalsContact C-N 3.34Å; K276-M278 VanDerWaalsContact C-N 3.27Å; K276-M278 PolarHBondContact O-N 3.24Å
277	G	91	Very high	93.4	Very high	86 Å²	86	56.9 Å²	56.9	89%	0.887	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-7.5	179.1	0	0	0	0	0	115.5	T275	T275-G277 PolarHBondContact O-N 3.08Å
278	M	94.3	Very high	93.3	Very high	60 Å²	60	57.1 Å²	57.1	30%	0.296	31%	0.312	S	S	.	.			trans	-72.2	150.6	173.7	-70.2	-176.9	-179.9	0	0	111.9	L274 T275 K276 E282 K283	L274-M278 HydrophobicContact CG-CE 4.38Å; L274-M278 VanDerWaalsContact O-CE 3.27Å; L274-M278 WeakPolarHBondContact O-CE 3.34Å; T275-M278 HydrophobicContact CG2-SD 3.98Å; T275-M278 PolarHBondContact O-N 3.2Å; K276-M278 VanDerWaalsContact C-N 3.27Å; K276-M278 PolarHBondContact O-N 3.24Å; M278-E282 WeakPolarHBondContact CA-OE2 3.37Å; M278-E282 HydrophobicContact CB-CB 3.87Å; M278-E282 HydrophobicContact CG-CB 4.22Å; M278-E282 HydrophobicContact SD-CB 4.28Å; M278-K283 HydrophobicContact CB-CG 3.98Å; M278-K283 WeakPolarHBondContact O-CE 3.34Å; M278-K283 PolarHBondContact O-NZ 3.27Å
279	D	93.7	Very high	93.2	Very high	87 Å²	87	63.5 Å²	63.5	47%	0.465	34%	0.342	S	S	.	.			trans	-74.1	173.3	171.2	79.8	31.7	0	0	0	112.3	S281 E282 K283	D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.28Å; D279-S281 WeakPolarHBondContact OD1-CA 3.23Å; D279-S281 WeakPolarHBondContact OD1-CB 3.38Å; D279-S281 PolarHBondContact OD1-N 3.4Å; D279-E282 PolarHBondContact N-OE2 3.02Å; D279-E282 PolarHBondContact O-N 2.78Å; D279-E282 WeakPolarHBondContact OD1-CG 3.4Å; D279-E282 PolarHBondContact OD1-N 3.07Å; D279-K283 WeakPolarHBondContact O-CB 3.41Å; D279-K283 VanDerWaalsContact O-CG 3.26Å; D279-K283 WeakPolarHBondContact O-CG 3.35Å; D279-K283 PolarHBondContact O-N 3.19Å
280	A	95.1	Very high	92.9	Very high	16 Å²	16	60.1 Å²	60.1	13%	0.132	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-33.7	-176.3	0	0	0	0	0	113.3	F238 K240 G284	F238-A280 HydrophobicContact CD1-CB 3.54Å; F238-A280 HydrophobicContact CE1-CB 3.7Å; K240-A280 HydrophobicContact CB-CB 4.19Å; K240-A280 WeakPolarHBondContact CB-O 3.46Å; K240-A280 PolarHBondContact N-O 3.07Å; A280-G284 PolarHBondContact O-N 2.93Å; A280-G284 VanDerWaalsContact O-N 3.11Å
281	S	95.3	Very high	92.3	Very high	56 Å²	56	57.8 Å²	57.8	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-76	-42.9	-179.5	-166.4	0	0	0	0	111	D279 G284 Q285	D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.28Å; D279-S281 WeakPolarHBondContact OD1-CA 3.23Å; D279-S281 WeakPolarHBondContact OD1-CB 3.38Å; D279-S281 PolarHBondContact OD1-N 3.4Å; S281-G284 WeakPolarHBondContact O-CA 3.4Å; S281-G284 PolarHBondContact O-N 3.43Å; S281-G284 VanDerWaalsContact O-N 3.17Å; S281-Q285 PolarHBondContact O-N 3.08Å
282	E	96.2	Very high	91.7	Very high	101 Å²	101	60.9 Å²	60.9	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-44.7	174.7	-69.7	175.5	144.7	0	0	111.2	M278 D279 G284 Q285 A286	M278-E282 WeakPolarHBondContact CA-OE2 3.37Å; M278-E282 HydrophobicContact CB-CB 3.87Å; M278-E282 HydrophobicContact CG-CB 4.22Å; M278-E282 HydrophobicContact SD-CB 4.28Å; D279-E282 PolarHBondContact N-OE2 3.02Å; D279-E282 PolarHBondContact O-N 2.78Å; D279-E282 WeakPolarHBondContact OD1-CG 3.4Å; D279-E282 PolarHBondContact OD1-N 3.07Å; E282-G284 VanDerWaalsContact C-N 3.27Å; E282-G284 PolarHBondContact O-N 2.96Å; E282-Q285 WeakPolarHBondContact O-CB 3.43Å; E282-Q285 PolarHBondContact O-N 3.25Å; E282-A286 PolarHBondContact O-N 2.98Å
283	K	97	Very high	91.1	Very high	23 Å²	23	57.9 Å²	57.9	10%	0.1	32%	0.323	C	S	.	.	H	α-helix	trans	-55.7	-44.2	171.2	-78.8	172.5	179.7	167.1	0	112	F237 F238 A239 T275 M278 D279 Q285 A286 I287	F237-K283 HydrophobicContact CD2-CD 4.38Å; F237-K283 HydrophobicContact CE2-CD 4.13Å; F237-K283 HydrophobicContact CE2-CG 4.3Å; F237-K283 HydrophobicContact CZ-CB 4.47Å; F237-K283 HydrophobicContact CZ-CD 4.47Å; F238-K283 WeakPolarHBondContact O-CD 3.5Å; A239-K283 HydrophobicContact CB-CB 3.93Å; T275-K283 HydrophobicContact CG2-CG 4.08Å; T275-K283 VanDerWaalsContact O-CE 3.22Å; T275-K283 WeakPolarHBondContact O-CE 3.45Å; M278-K283 HydrophobicContact CB-CG 3.98Å; M278-K283 WeakPolarHBondContact O-CE 3.34Å; M278-K283 PolarHBondContact O-NZ 3.27Å; D279-K283 WeakPolarHBondContact O-CB 3.41Å; D279-K283 VanDerWaalsContact O-CG 3.26Å; D279-K283 WeakPolarHBondContact O-CG 3.35Å; D279-K283 PolarHBondContact O-N 3.19Å; K283-Q285 VanDerWaalsContact C-N 3.35Å; K283-A286 PolarHBondContact O-N 3.15Å; K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 3.43Å; K283-I287 VanDerWaalsContact O-N 3.12Å
284	G	94.5	Very high	90.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-39	178.3	0	0	0	0	0	113.7	K240 I242 Y250 A280 S281 E282 S288	K240-G284 WeakPolarHBondContact O-CA 3.44Å; I242-G284 VanDerWaalsContact CG1-C 3.46Å; Y250-G284 PolarHBondContact OH-O 3.28Å; A280-G284 PolarHBondContact O-N 2.93Å; A280-G284 VanDerWaalsContact O-N 3.11Å; S281-G284 WeakPolarHBondContact O-CA 3.4Å; S281-G284 PolarHBondContact O-N 3.43Å; S281-G284 VanDerWaalsContact O-N 3.17Å; E282-G284 VanDerWaalsContact C-N 3.27Å; E282-G284 PolarHBondContact O-N 2.96Å; G284-S288 PolarHBondContact O-N 3.48Å
285	Q	93.8	Very high	89.4	Confident	81 Å²	81	53 Å²	53	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-46.3	175.5	-176.4	60.6	32.9	0	0	110.9	S281 E282 K283 I287 S288 E289	S281-Q285 PolarHBondContact O-N 3.08Å; E282-Q285 WeakPolarHBondContact O-CB 3.43Å; E282-Q285 PolarHBondContact O-N 3.25Å; K283-Q285 VanDerWaalsContact C-N 3.35Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.11Å; Q285-S288 WeakPolarHBondContact O-CB 3.37Å; Q285-S288 PolarHBondContact O-N 3.28Å; Q285-S288 PolarHBondContact O-OG 2.81Å; Q285-E289 PolarHBondContact NE2-OE1 3.45Å; Q285-E289 PolarHBondContact O-N 2.79Å
286	A	94.2	Very high	88.5	Confident	13 Å²	13	53.4 Å²	53.4	11%	0.107	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-43.3	176.9	0	0	0	0	0	112.3	L271 T275 E282 K283 S288 E289 I290	L271-A286 HydrophobicContact CD1-CB 4.3Å; T275-A286 HydrophobicContact CG2-CB 3.96Å; E282-A286 PolarHBondContact O-N 2.98Å; K283-A286 PolarHBondContact O-N 3.15Å; A286-S288 VanDerWaalsContact C-N 3.29Å; A286-S288 PolarHBondContact O-N 3.36Å; A286-E289 PolarHBondContact O-N 2.93Å; A286-I290 WeakPolarHBondContact O-CG1 3.3Å
287	I	91.2	Very high	87.7	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-40.4	174.1	-69.9	166.8	0	0	0	111.5	F237 A239 Y250 L253 L271 K283 Q285 E289 I290 I293	F237-I287 HydrophobicContact CE1-CD1 4.5Å; F237-I287 HydrophobicContact CZ-CD1 4.14Å; A239-I287 HydrophobicContact CB-CD1 3.44Å; A239-I287 VanDerWaalsContact CB-CD1 3.44Å; Y250-I287 HydrophobicContact CD1-CD1 4.19Å; Y250-I287 HydrophobicContact CE1-CB 4.29Å; Y250-I287 HydrophobicContact CE1-CD1 3.94Å; Y250-I287 HydrophobicContact CE1-CG2 4.16Å; Y250-I287 HydrophobicContact CE2-CG2 4.39Å; L253-I287 HydrophobicContact CD1-CD1 3.88Å; L253-I287 HydrophobicContact CD1-CG1 4.12Å; L253-I287 HydrophobicContact CD1-CG2 3.79Å; L271-I287 HydrophobicContact CD1-CG1 4.08Å; L271-I287 HydrophobicContact CD2-CG1 3.86Å; K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 3.43Å; K283-I287 VanDerWaalsContact O-N 3.12Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.11Å; I287-E289 PolarHBondContact O-N 3.01Å; I287-I290 PolarHBondContact O-N 3.47Å; I287-I293 HydrophobicContact CG2-CG2 4.36Å
288	S	86.8	Confident	87.1	Confident	40 Å²	40	50 Å²	50	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-67.9	-20.8	-176.8	77.7	0	0	0	0	114.1	G284 Q285 A286	G284-S288 PolarHBondContact O-N 3.48Å; Q285-S288 WeakPolarHBondContact O-CB 3.37Å; Q285-S288 PolarHBondContact O-N 3.28Å; Q285-S288 PolarHBondContact O-OG 2.81Å; A286-S288 VanDerWaalsContact C-N 3.29Å; A286-S288 PolarHBondContact O-N 3.36Å
289	E	87.6	Confident	86.2	Confident	135 Å²	135	50 Å²	50	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-91	-12.4	-177.6	-68.8	174.5	-173	0	0	113.1	Q285 A286 I287 A291	Q285-E289 PolarHBondContact NE2-OE1 3.45Å; Q285-E289 PolarHBondContact O-N 2.79Å; A286-E289 PolarHBondContact O-N 2.93Å; I287-E289 PolarHBondContact O-N 3.01Å; E289-A291 PolarHBondContact O-N 3.11Å
290	I	85.5	Confident	85.3	Confident	31 Å²	31	50 Å²	50	16%	0.159	28%	0.277	C	S	.	.			trans	-82.2	107.1	179.7	-61.6	172	0	0	0	109.7	I267 L271 A286 I287 E292 I293 S294	I267-I290 HydrophobicContact CG2-CG2 3.97Å; L271-I290 HydrophobicContact CB-CD1 4.06Å; L271-I290 HydrophobicContact CD1-CD1 3.73Å; L271-I290 HydrophobicContact CD2-CD1 4.22Å; L271-I290 HydrophobicContact CG-CD1 4.2Å; A286-I290 WeakPolarHBondContact O-CG1 3.3Å; I287-I290 PolarHBondContact O-N 3.47Å; I290-E292 VanDerWaalsContact C-N 3.31Å; I290-E292 HydrophobicContact CG2-CB 4.19Å; I290-E292 VanDerWaalsContact CG2-OE2 3.29Å; I290-E292 WeakPolarHBondContact CG2-OE2 3.27Å; I290-E292 PolarHBondContact O-N 3.48Å; I290-I293 HydrophobicContact CB-CB 4.29Å; I290-I293 HydrophobicContact CB-CD1 3.97Å; I290-I293 HydrophobicContact CB-CG1 4.15Å; I290-I293 HydrophobicContact CD1-CD1 3.87Å; I290-I293 HydrophobicContact CG2-CB 4.14Å; I290-I293 HydrophobicContact CG2-CD1 3.92Å; I290-I293 HydrophobicContact CG2-CG1 3.71Å; I290-I293 PolarHBondContact O-N 3.42Å; I290-S294 PolarHBondContact O-N 3.37Å
291	A	79.9	Confident	84.1	Confident	50 Å²	50	50.9 Å²	50.9	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-39.1	-176.7	0	0	0	0	0	112.1	E289 I293 S294 N295	E289-A291 PolarHBondContact O-N 3.11Å; A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 3.29Å; A291-S294 PolarHBondContact O-N 3.36Å; A291-S294 PolarHBondContact O-OG 3.34Å; A291-N295 WeakPolarHBondContact O-CB 3.38Å; A291-N295 PolarHBondContact O-N 2.95Å; A291-N295 PolarHBondContact O-ND2 3.5Å
292	E	79.7	Confident	82.9	Confident	67 Å²	67	55.5 Å²	55.5	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-43.5	178.9	-62.8	84.7	168.6	0	0	111.3	I172 I267 I290 N295 A296	I172-E292 HydrophobicContact CG2-CG 3.87Å; I267-E292 HydrophobicContact CD1-CB 3.79Å; I267-E292 HydrophobicContact CD1-CG 3.89Å; I290-E292 VanDerWaalsContact C-N 3.31Å; I290-E292 HydrophobicContact CG2-CB 4.19Å; I290-E292 VanDerWaalsContact CG2-OE2 3.29Å; I290-E292 WeakPolarHBondContact CG2-OE2 3.27Å; I290-E292 PolarHBondContact O-N 3.48Å; E292-N295 PolarHBondContact O-N 2.63Å; E292-A296 WeakPolarHBondContact O-CB 3.29Å; E292-A296 PolarHBondContact O-N 2.93Å
293	I	80.8	Confident	81.4	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-44.8	177.6	-67.9	177	0	0	0	110.4	F177 T249 L253 I267 L268 L271 I287 I290 A291 H297	F177-I293 HydrophobicContact CD1-CG1 4.3Å; F177-I293 HydrophobicContact CE1-CB 4.17Å; F177-I293 HydrophobicContact CE1-CG1 4.1Å; F177-I293 HydrophobicContact CE1-CG2 4.1Å; T249-I293 HydrophobicContact CG2-CG2 3.62Å; L253-I293 HydrophobicContact CD1-CD1 4.27Å; I267-I293 HydrophobicContact CG2-CG1 4.45Å; L268-I293 HydrophobicContact CD2-CD1 4.15Å; L271-I293 HydrophobicContact CD2-CD1 4.05Å; I287-I293 HydrophobicContact CG2-CG2 4.36Å; I290-I293 HydrophobicContact CB-CB 4.29Å; I290-I293 HydrophobicContact CB-CD1 3.97Å; I290-I293 HydrophobicContact CB-CG1 4.15Å; I290-I293 HydrophobicContact CD1-CD1 3.87Å; I290-I293 HydrophobicContact CG2-CB 4.14Å; I290-I293 HydrophobicContact CG2-CD1 3.92Å; I290-I293 HydrophobicContact CG2-CG1 3.71Å; I290-I293 PolarHBondContact O-N 3.42Å; A291-I293 VanDerWaalsContact C-N 3.31Å; A291-I293 PolarHBondContact O-N 3.29Å; I293-H297 WeakPolarHBondContact O-CB 3.33Å; I293-H297 PolarHBondContact O-N 2.94Å
294	S	78	Confident	79.7	Confident	47 Å²	47	59.8 Å²	59.8	33%	0.329	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-39.1	178.7	75.7	0	0	0	0	112.5	I290 A291 H297 N298	I290-S294 PolarHBondContact O-N 3.37Å; A291-S294 PolarHBondContact O-N 3.36Å; A291-S294 PolarHBondContact O-OG 3.34Å; S294-H297 PolarHBondContact O-N 2.91Å; S294-N298 VanDerWaalsContact O-CB 3.29Å; S294-N298 WeakPolarHBondContact O-CB 3.19Å; S294-N298 PolarHBondContact O-N 3.47Å; S294-N298 PolarHBondContact O-ND2 3.28Å
295	N	73.9	Confident	77.8	Confident	75 Å²	75	62.9 Å²	62.9	40%	0.401	33%	0.334	S	S	.	.	H	α-helix	trans	-67.1	-45.3	179.7	-74.1	-28.4	0	0	0	111	A291 E292 N298 S299	A291-N295 WeakPolarHBondContact O-CB 3.38Å; A291-N295 PolarHBondContact O-N 2.95Å; A291-N295 PolarHBondContact O-ND2 3.5Å; E292-N295 PolarHBondContact O-N 2.63Å; N295-N298 PolarHBondContact O-N 3.5Å; N295-S299 PolarHBondContact O-N 2.89Å
296	A	76.7	Confident	76	Confident	9 Å²	9	61.2 Å²	61.2	7%	0.074	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-33.6	176.2	0	0	0	0	0	112.6	F177 E292 S299 H300	F177-A296 HydrophobicContact CD1-CB 4.19Å; F177-A296 HydrophobicContact CD2-CB 4.13Å; F177-A296 HydrophobicContact CE1-CB 3.73Å; F177-A296 HydrophobicContact CE2-CB 3.62Å; F177-A296 HydrophobicContact CG-CB 4.38Å; F177-A296 HydrophobicContact CZ-CB 3.4Å; F177-A296 VanDerWaalsContact CZ-CB 3.4Å; E292-A296 WeakPolarHBondContact O-CB 3.29Å; E292-A296 PolarHBondContact O-N 2.93Å; A296-S299 PolarHBondContact O-OG 3.02Å; A296-H300 PolarHBondContact O-CD2 3.49Å; A296-H300 VanDerWaalsContact O-CD2 3.22Å
297	H	77.7	Confident	73.8	Confident	54 Å²	54	63.9 Å²	63.9	25%	0.25	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-46.9	170.4	178.6	95.7	0	0	0	111.4	N245 T249 I293 S294 H300	N245-H297 PolarHBondContact O-CE1 3.39Å; N245-H297 PolarHBondContact O-NE2 3.45Å; T249-H297 PolarHBondContact OG1-ND1 3.3Å; I293-H297 WeakPolarHBondContact O-CB 3.33Å; I293-H297 PolarHBondContact O-N 2.94Å; S294-H297 PolarHBondContact O-N 2.91Å; H297-H300 PolarHBondContact O-N 3.38Å
298	N	77	Confident	72	Confident	95 Å²	95	70.3 Å²	70.3	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-74.6	-24	-174.3	-70.3	-32.8	0	0	0	113.3	S294 N295 H300 A301	S294-N298 VanDerWaalsContact O-CB 3.29Å; S294-N298 WeakPolarHBondContact O-CB 3.19Å; S294-N298 PolarHBondContact O-N 3.47Å; S294-N298 PolarHBondContact O-ND2 3.28Å; N295-N298 PolarHBondContact O-N 3.5Å; N298-H300 PolarHBondContact O-N 2.95Å; N298-A301 VanDerWaalsContact O-CB 3.3Å; N298-A301 WeakPolarHBondContact O-CB 3.5Å; N298-A301 PolarHBondContact O-N 2.87Å; N298-A301 VanDerWaalsContact O-N 3.17Å
299	S	75.7	Confident	70.3	Confident	60 Å²	60	74.9 Å²	74.9	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-27.5	176.7	58.2	0	0	0	0	112.8	N295 A296 V551	N295-S299 PolarHBondContact O-N 2.89Å; A296-S299 PolarHBondContact O-OG 3.02Å; S299-V551 WeakPolarHBondContact O-CG1 3.45Å
300	H	74.4	Confident	68.1	Low	86 Å²	86	73.6 Å²	73.6	40%	0.398	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.4	177.3	-62.7	-65.3	0	0	0	113.8	A296 H297 N298 D547	A296-H300 PolarHBondContact O-CD2 3.49Å; A296-H300 VanDerWaalsContact O-CD2 3.22Å; H297-H300 PolarHBondContact O-N 3.38Å; N298-H300 PolarHBondContact O-N 2.95Å; H300-D547 IonicContact CE1-OD1 3.16Å; H300-D547 IonicContact CE1-OD2 3.31Å; H300-D547 PolarHBondContact CE1-OD2 3.22Å; H300-D547 IonicContact CG-OD1 3.3Å; H300-D547 VanDerWaalsContact ND1-CG 3.28Å; H300-D547 IonicContact ND1-OD1 3.27Å; H300-D547 PolarHBondContact ND1-OD1 3.45Å; H300-D547 IonicContact ND1-OD2 3.11Å; H300-D547 PolarHBondContact ND1-OD2 2.89Å
301	A	70	Confident	65.9	Low	34 Å²	34	74.9 Å²	74.9	28%	0.281	43%	0.426	S	S	.	.	S	Bend	trans	-73.4	140.5	179.5	0	0	0	0	0	111.1	N298	N298-A301 VanDerWaalsContact O-CB 3.3Å; N298-A301 WeakPolarHBondContact O-CB 3.5Å; N298-A301 PolarHBondContact O-N 2.87Å; N298-A301 VanDerWaalsContact O-N 3.17Å
302	R	70	Confident	63.9	Low	154 Å²	154	76.9 Å²	76.9	58%	0.581	44%	0.435	S	S	*	.			trans	-62.1	143.9	168.7	-69.4	-178.5	179.8	166.2	1.3	109.8	E304 C305 A306 R550	R302-E304 PolarHBondContact O-N 2.92Å; R302-C305 VanDerWaalsContact O-CB 3.31Å; R302-C305 WeakPolarHBondContact O-CB 3.48Å; R302-C305 PolarHBondContact O-N 3.42Å; R302-A306 PolarHBondContact O-N 3.48Å; R302-R550 HydrophobicContact CG-CG 3.87Å
303	Q	65.9	Low	62.5	Low	72 Å²	72	84.7 Å²	84.7	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-29.1	-179.9	-172.4	157	-16	0	0	114.1	C305 A306 S307 D553	Q303-C305 PolarHBondContact O-N 2.89Å; Q303-A306 PolarHBondContact O-N 3.29Å; Q303-A306 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-N 2.83Å; Q303-S307 PolarHBondContact O-OG 3.42Å; Q303-D553 VanDerWaalsContact CD-CB 3.45Å; Q303-D553 VanDerWaalsContact CD-CG 3.42Å; Q303-D553 PolarHBondContact NE2-OD2 2.94Å; Q303-D553 VanDerWaalsContact OE1-N 3.16Å
304	E	59.7	Low	60.9	Low	141 Å²	141	93.8 Å²	93.8	66%	0.659	50%	0.501	S	S	*	.	H	α-helix	trans	-55.9	-39.1	171.9	-67	-179.5	174.2	0	0	111.6	R302 S307 L308	R302-E304 PolarHBondContact O-N 2.92Å; E304-S307 PolarHBondContact O-OG 2.98Å; E304-L308 WeakPolarHBondContact O-CB 3.23Å; E304-L308 VanDerWaalsContact O-CG 3.22Å; E304-L308 WeakPolarHBondContact O-CG 3.34Å; E304-L308 PolarHBondContact O-N 3.4Å
305	C	56.2	Low	59.2	Low	65 Å²	65	100.2 Å²	100.2	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-68	-42.9	174.9	-64.5	0	0	0	0	111.5	R302 Q303 S307 L308 L309	R302-C305 VanDerWaalsContact O-CB 3.31Å; R302-C305 WeakPolarHBondContact O-CB 3.48Å; R302-C305 PolarHBondContact O-N 3.42Å; Q303-C305 PolarHBondContact O-N 2.89Å; C305-S307 PolarHBondContact O-N 3.47Å; C305-L308 PolarHBondContact O-N 3.43Å; C305-L309 WeakPolarHBondContact O-CB 3.43Å; C305-L309 WeakPolarHBondContact O-CD1 3.36Å; C305-L309 VanDerWaalsContact O-CG 3.24Å; C305-L309 WeakPolarHBondContact O-CG 3.23Å; C305-L309 PolarHBondContact O-N 3.32Å; C305-L309 VanDerWaalsContact O-N 3.13Å
306	A	54.4	Low	57.7	Low	46 Å²	46	107.3 Å²	107.3	38%	0.38	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-42.9	178.8	0	0	0	0	0	112.4	R302 Q303 L309 C310	R302-A306 PolarHBondContact O-N 3.48Å; Q303-A306 PolarHBondContact O-N 3.29Å; Q303-A306 VanDerWaalsContact O-N 3.08Å; A306-L309 PolarHBondContact O-N 3.25Å; A306-C310 WeakPolarHBondContact O-CB 3.27Å; A306-C310 PolarHBondContact O-N 3.45Å; A306-C310 PolarHBondContact O-SG 3.2Å
307	S	48.9	Very low	55.8	Low	69 Å²	69	117 Å²	117	48%	0.483	58%	0.579	S	S	.	*	H	α-helix	trans	-69.4	-37.9	-179.8	65.1	0	0	0	0	113.1	Q303 E304 C305 L309 C310 A311	Q303-S307 PolarHBondContact O-N 2.83Å; Q303-S307 PolarHBondContact O-OG 3.42Å; E304-S307 PolarHBondContact O-OG 2.98Å; C305-S307 PolarHBondContact O-N 3.47Å; S307-L309 VanDerWaalsContact C-N 3.35Å; S307-C310 PolarHBondContact O-N 3.48Å; S307-A311 PolarHBondContact O-N 2.74Å; S307-A311 VanDerWaalsContact O-N 3.15Å
308	L	53.6	Low	53.8	Low	141 Å²	141	119.6 Å²	119.6	74%	0.738	60%	0.603	S	S	*	*	H	α-helix	trans	-66.4	-36.3	175.3	-72.5	172.4	0	0	0	112.4	E304 C305	E304-L308 WeakPolarHBondContact O-CB 3.23Å; E304-L308 VanDerWaalsContact O-CG 3.22Å; E304-L308 WeakPolarHBondContact O-CG 3.34Å; E304-L308 PolarHBondContact O-N 3.4Å; C305-L308 PolarHBondContact O-N 3.43Å
309	L	51.2	Low	51.9	Low	135 Å²	135	118.2 Å²	118.2	71%	0.707	60%	0.601	S	S	*	*	H	α-helix	trans	-75	-35.5	178.1	-69.8	166.4	0	0	0	112.4	C305 A306 S307	C305-L309 WeakPolarHBondContact O-CB 3.43Å; C305-L309 WeakPolarHBondContact O-CD1 3.36Å; C305-L309 VanDerWaalsContact O-CG 3.24Å; C305-L309 WeakPolarHBondContact O-CG 3.23Å; C305-L309 PolarHBondContact O-N 3.32Å; C305-L309 VanDerWaalsContact O-N 3.13Å; A306-L309 PolarHBondContact O-N 3.25Å; S307-L309 VanDerWaalsContact C-N 3.35Å
310	C	41.5	Very low	50.2	Low	108 Å²	108	120.4 Å²	120.4	73%	0.73	62%	0.616	S	S	*	*	H	α-helix	trans	-86.7	-5.5	-178.7	-64.8	0	0	0	0	114.4	A306 S307	A306-C310 WeakPolarHBondContact O-CB 3.27Å; A306-C310 PolarHBondContact O-N 3.45Å; A306-C310 PolarHBondContact O-SG 3.2Å; S307-C310 PolarHBondContact O-N 3.48Å
311	A	39.4	Very low	48.7	Very low	58 Å²	58	126.5 Å²	126.5	48%	0.479	64%	0.637	S	S	.	*	S	Bend	trans	-67.4	125.3	180	0	0	0	0	0	111.3	S307 R313	S307-A311 PolarHBondContact O-N 2.74Å; S307-A311 VanDerWaalsContact O-N 3.15Å; A311-R313 PolarHBondContact O-N 2.75Å
312	P	38.1	Very low	47.1	Very low	93 Å²	93	133.1 Å²	133.1	60%	0.604	66%	0.662	S	S	*	*			trans	-59.9	127	178.6	20.1	-29.7	0	0	0	110.5	K314 K315	P312-K314 PolarHBondContact O-N 3.05Å; P312-K315 PolarHBondContact O-N 2.71Å
313	R	49.2	Very low	45.2	Very low	231 Å²	231	128.7 Å²	128.7	87%	0.872	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-44.3	-25	-176.7	-80.5	-178.2	159.1	175.6	-5.6	114.9	A311 K315	A311-R313 PolarHBondContact O-N 2.75Å; R313-K315 PolarHBondContact O-N 3.42Å
314	K	47.5	Very low	43.6	Very low	197 Å²	197	129.9 Å²	129.9	86%	0.857	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-75.9	-8.8	-178	-69.5	-176.3	177.6	177.5	0	116	P312	P312-K314 PolarHBondContact O-N 3.05Å
315	K	42	Very low	42.3	Very low	182 Å²	182	131.4 Å²	131.4	79%	0.791	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-96.4	5.8	173.9	-86	-172.6	-179.8	178.6	0	115.1	P312 R313 R317	P312-K315 PolarHBondContact O-N 2.71Å; R313-K315 PolarHBondContact O-N 3.42Å; K315-R317 PolarHBondContact O-N 3.4Å
316	R	41.9	Very low	41.2	Very low	224 Å²	224	134 Å²	134	85%	0.845	70%	0.699	S	S	*	*			trans	-71	27.3	172.7	-65.9	-174.7	72.3	142.4	-1.5	113.9	S318	R316-S318 PolarHBondContact O-N 2.93Å
317	R	37.3	Very low	40.4	Very low	211 Å²	211	140.4 Å²	140.4	80%	0.796	72%	0.719	S	S	*	*			trans	-84.4	97.5	175.7	-68.8	-172.9	74.4	145.8	1.1	109.5	K315 S319	K315-R317 PolarHBondContact O-N 3.4Å; R317-S319 PolarHBondContact O-N 2.99Å
318	S	34.9	Very low	40.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	73%	0.73	S	S	*	*			trans	36.4	63.3	135.5	63.8	0	0	0	0	116.4	R316	R316-S318 PolarHBondContact O-N 2.93Å
319	S	37	Very low	40.4	Very low	65 Å²	65	138.2 Å²	138.2	46%	0.455	71%	0.706	S	S	.	*			trans	-87.9	104.7	154.2	170.4	0	0	0	0	107.1	R317 Y321 Q322	R317-S319 PolarHBondContact O-N 2.99Å; S319-Y321 PolarHBondContact O-N 3.3Å; S319-Q322 PolarHBondContact O-N 3.38Å
320	S	41.1	Very low	41.1	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-1	-178.8	43.8	0	0	0	0	114.8
321	Y	41.8	Very low	42.9	Very low	215 Å²	215	134.5 Å²	134.5	84%	0.843	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-7.2	177.7	-78.9	-86.7	0	0	0	114.8	S319	S319-Y321 PolarHBondContact O-N 3.3Å
322	Q	36.6	Very low	45.1	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.804	66%	0.661	S	S	*	*	S	Bend	trans	-111.9	2.4	174.6	-83.5	171.8	-21.9	0	0	113.4	S319	S319-Q322 PolarHBondContact O-N 3.38Å
323	A	31.6	Very low	47.4	Very low	62 Å²	62	129.6 Å²	129.6	51%	0.512	64%	0.64	S	S	.	*			trans	-95.9	9.5	-174.2	0	0	0	0	0	114.7	F325	A323-F325 PolarHBondContact O-N 2.91Å
324	A	31.2	Very low	49.3	Very low	96 Å²	96	118.6 Å²	118.6	79%	0.793	60%	0.598	S	S	*	*	S	Bend	trans	-73.1	75.1	158.1	0	0	0	0	0	107.5	V326	A324-V326 PolarHBondContact O-N 3.49Å
325	F	33.4	Very low	51.6	Low	173 Å²	173	109.2 Å²	109.2	76%	0.759	56%	0.558	S	S	*	*			trans	-46.4	104.8	175	-95.5	-101.4	0	0	0	108.8	A323 K327	A323-F325 PolarHBondContact O-N 2.91Å; F325-K327 VanDerWaalsContact C-N 3.26Å; F325-K327 PolarHBondContact O-N 2.81Å
326	V	32.3	Very low	54.2	Low	119 Å²	119	100.7 Å²	100.7	72%	0.721	52%	0.521	S	S	*	.			trans	-53.7	107.9	146.2	178.3	0	0	0	0	103.1	A324 V328	A324-V326 PolarHBondContact O-N 3.49Å; V326-V328 PolarHBondContact O-N 2.83Å
327	K	37.6	Very low	56.8	Low	182 Å²	182	90.3 Å²	90.3	79%	0.791	48%	0.482	S	S	*	.			trans	-56	100.3	164.4	-86	-174.6	175.9	-175.5	0	104.3	F325 D329	F325-K327 VanDerWaalsContact C-N 3.26Å; F325-K327 PolarHBondContact O-N 2.81Å; K327-D329 PolarHBondContact O-N 3.07Å
328	V	49.3	Very low	59.5	Low	119 Å²	119	85.3 Å²	85.3	72%	0.721	46%	0.464	S	S	*	.			trans	-66.1	107.1	173.9	-179.8	0	0	0	0	104	V326 S330	V326-V328 PolarHBondContact O-N 2.83Å; V328-S330 PolarHBondContact O-N 2.99Å; V328-S330 VanDerWaalsContact O-N 3.13Å
329	D	53.9	Low	62.3	Low	45 Å²	45	81.3 Å²	81.3	24%	0.241	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-55.6	122.6	177	-78.5	-25.7	0	0	0	107.9	K206 K327 F331 R389	K206-D329 HydrophobicContact CD-CB 4.29Å; K206-D329 WeakPolarHBondContact CE-OD1 3.36Å; K206-D329 WeakPolarHBondContact CE-OD2 3.47Å; K206-D329 HydrophobicContact CG-CB 4.49Å; K206-D329 IonicContact NZ-OD1 3.17Å; K206-D329 PolarHBondContact NZ-OD1 2.96Å; K206-D329 IonicContact NZ-OD2 3.52Å; K206-D329 PolarHBondContact NZ-OD2 3.06Å; K327-D329 PolarHBondContact O-N 3.07Å; D329-F331 HydrophobicContact CB-CE2 3.95Å; D329-F331 HydrophobicContact CB-CZ 4.38Å; D329-F331 VanDerWaalsContact O-CD2 3.25Å; D329-F331 WeakPolarHBondContact O-CD2 3.42Å; D329-F331 PolarHBondContact O-N 3.24Å; D329-R389 IonicContact OD2-CZ 3.64Å; D329-R389 VanDerWaalsContact OD2-CZ 3.26Å; D329-R389 IonicContact OD2-NH1 3.88Å; D329-R389 PolarHBondContact OD2-NH1 3.48Å; D329-R389 IonicContact OD2-NH2 3.91Å
330	S	66.5	Low	64.9	Low	75 Å²	75	84.5 Å²	84.5	52%	0.524	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-77.2	122.1	176.6	-58.4	0	0	0	0	107.6	W207 V328	W207-S330 WeakPolarHBondContact CA-O 3.46Å; W207-S330 WeakPolarHBondContact CB-O 3.43Å; W207-S330 PolarHBondContact N-O 3.23Å; V328-S330 PolarHBondContact O-N 2.99Å; V328-S330 VanDerWaalsContact O-N 3.13Å
331	F	77.8	Confident	67.4	Low	90 Å²	90	80.5 Å²	80.5	40%	0.395	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.3	174	-69.1	-91.8	0	0	0	109.7	L204 F205 K206 D329 R389	L204-F331 HydrophobicContact CD1-CB 3.61Å; L204-F331 HydrophobicContact CD1-CD1 4.5Å; L204-F331 HydrophobicContact CD1-CG 4.45Å; L204-F331 HydrophobicContact CG-CB 4.34Å; L204-F331 HydrophobicContact CG-CD1 4.37Å; F205-F331 WeakPolarHBondContact O-CA 3.48Å; K206-F331 HydrophobicContact CB-CD1 4.43Å; K206-F331 HydrophobicContact CB-CE1 4.28Å; D329-F331 HydrophobicContact CB-CE2 3.95Å; D329-F331 HydrophobicContact CB-CZ 4.38Å; D329-F331 VanDerWaalsContact O-CD2 3.25Å; D329-F331 WeakPolarHBondContact O-CD2 3.42Å; D329-F331 PolarHBondContact O-N 3.24Å; F331-R389 HydrophobicContact CE1-CB 4.14Å
332	H	85.2	Confident	69.9	Low	9 Å²	9	72.3 Å²	72.3	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.8	-178.9	-173.7	47.5	0	0	0	111.6	L204 F205 W207 D347 L349	L204-H332 WeakPolarHBondContact CA-O 3.48Å; F205-H332 WeakPolarHBondContact CD1-O 3.25Å; F205-H332 HydrophobicContact CE2-CB 4.44Å; F205-H332 HydrophobicContact CZ-CB 4.27Å; F205-H332 AromaticContact CZ-CD2 3.74Å; F205-H332 PolarHBondContact N-O 3.42Å; F205-H332 PolarHBondContact O-N 3Å; W207-H332 HydrophobicContact CB-CB 4.16Å; W207-H332 HydrophobicContact CG-CB 4.34Å; H332-D347 IonicContact CD2-OD1 3.99Å; H332-D347 IonicContact CE1-OD1 3.6Å; H332-D347 IonicContact NE2-OD1 2.98Å; H332-D347 PolarHBondContact NE2-OD1 2.93Å; H332-L349 VanDerWaalsContact CE1-CD1 3.48Å; H332-L349 WeakPolarHBondContact CE1-CD1 3.43Å; H332-L349 VanDerWaalsContact CE1-CG 3.42Å; H332-L349 WeakPolarHBondContact CE1-CG 3.38Å
333	F	87.1	Confident	72.7	Confident	38 Å²	38	64.1 Å²	64.1	17%	0.167	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.7	176.2	-65.3	-85.2	0	0	0	110.4	V202 F203 L204 C247 A248 A251 M393	V202-F333 HydrophobicContact CG1-CB 4.31Å; V202-F333 HydrophobicContact CG1-CD1 3.5Å; V202-F333 VanDerWaalsContact CG1-CD1 3.5Å; V202-F333 HydrophobicContact CG1-CE1 4.27Å; V202-F333 HydrophobicContact CG1-CG 4.31Å; F203-F333 WeakPolarHBondContact O-CA 3.45Å; L204-F333 HydrophobicContact CB-CD1 3.92Å; L204-F333 HydrophobicContact CB-CE1 3.81Å; L204-F333 HydrophobicContact CD1-CD1 3.73Å; L204-F333 HydrophobicContact CD1-CD2 4Å; L204-F333 HydrophobicContact CD1-CE1 3.54Å; L204-F333 HydrophobicContact CD1-CE2 3.8Å; L204-F333 HydrophobicContact CD1-CG 3.99Å; L204-F333 HydrophobicContact CD1-CZ 3.58Å; L204-F333 HydrophobicContact CD2-CE1 4Å; L204-F333 HydrophobicContact CD2-CZ 4.1Å; L204-F333 HydrophobicContact CG-CD1 4.35Å; L204-F333 HydrophobicContact CG-CE1 3.98Å; L204-F333 HydrophobicContact CG-CZ 4.3Å; C247-F333 HydrophobicContact CB-CB 4.39Å; C247-F333 HydrophobicContact CB-CD2 3.79Å; C247-F333 WeakPolarHBondContact SG-CD2 3.48Å; A248-F333 HydrophobicContact CB-CD2 4.06Å; A248-F333 HydrophobicContact CB-CE2 3.71Å; A248-F333 HydrophobicContact CB-CZ 4.02Å; A251-F333 HydrophobicContact CB-CB 3.77Å; F333-M393 HydrophobicContact CD1-CE 4.39Å; F333-M393 HydrophobicContact CE1-CE 3.84Å
334	S	90.3	Very high	75.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.4	170.2	-170.6	0	0	0	0	109.3	F203 E345	F203-S334 PolarHBondContact N-O 2.91Å; F203-S334 PolarHBondContact O-N 3.38Å; S334-E345 WeakPolarHBondContact OG-CG 3.45Å; S334-E345 PolarHBondContact OG-OE1 3.18Å
335	S	94.6	Very high	78.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148.7	-178.2	-66.6	0	0	0	0	111.6	F201 A251 E345 L346	F201-S335 CarbonylContact O-C 3.55Å; F201-S335 VanDerWaalsContact O-CA 3.31Å; F201-S335 WeakPolarHBondContact O-CA 3.29Å; A251-S335 WeakPolarHBondContact CA-OG 3.4Å; A251-S335 VanDerWaalsContact CB-OG 3.27Å; A251-S335 WeakPolarHBondContact CB-OG 3.34Å; A251-S335 PolarHBondContact O-OG 3.33Å; S335-E345 CarbonylContact O-C 3.51Å; S335-E345 WeakPolarHBondContact O-CA 3.37Å; S335-L346 PolarHBondContact N-O 3.41Å; S335-L346 PolarHBondContact O-N 3.34Å
336	F	96.2	Very high	81.6	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.9	178.2	-60.1	-97	0	0	0	109.7	G200 F201 F203 Y344 E345 L356 F369	G200-F336 CarbonylContact C-O 3.47Å; G200-F336 WeakPolarHBondContact CA-O 3.31Å; F201-F336 HydrophobicContact CB-CB 4.39Å; F201-F336 PolarHBondContact N-O 3.49Å; F201-F336 PolarHBondContact O-N 2.92Å; F203-F336 HydrophobicContact CB-CD2 4.28Å; F203-F336 HydrophobicContact CB-CE2 3.59Å; F203-F336 HydrophobicContact CG-CE2 4.44Å; F336-Y344 VanDerWaalsContact CA-O 3.29Å; F336-Y344 WeakPolarHBondContact CA-O 3.04Å; F336-E345 HydrophobicContact CD1-CB 4.1Å; F336-E345 HydrophobicContact CD1-CG 4.43Å; F336-E345 HydrophobicContact CE1-CB 3.82Å; F336-E345 HydrophobicContact CE1-CG 3.85Å; F336-E345 HydrophobicContact CZ-CG 4.04Å; F336-L356 HydrophobicContact CD1-CD1 3.69Å; F336-L356 HydrophobicContact CE1-CD1 3.76Å; F336-F369 HydrophobicContact CB-CD2 3.97Å; F336-F369 HydrophobicContact CB-CE2 3.56Å; F336-F369 HydrophobicContact CB-CZ 4.22Å; F336-F369 HydrophobicContact CD1-CD2 4.11Å; F336-F369 AromaticContact CD1-CE2 3.57Å; F336-F369 HydrophobicContact CD1-CE2 3.57Å; F336-F369 AromaticContact CD2-CE2 3.77Å; F336-F369 HydrophobicContact CD2-CE2 3.77Å; F336-F369 HydrophobicContact CD2-CZ 4.1Å; F336-F369 HydrophobicContact CE1-CE2 4.17Å; F336-F369 HydrophobicContact CE2-CE2 4.38Å; F336-F369 HydrophobicContact CG-CD2 4.08Å; F336-F369 AromaticContact CG-CE2 3.33Å; F336-F369 HydrophobicContact CG-CE2 3.33Å; F336-F369 HydrophobicContact CG-CZ 4.07Å
337	I	96.4	Very high	84.5	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.6	178.7	64	164	0	0	0	111.1	M236 I255 N258 V343 Y344 L346	M236-I337 HydrophobicContact CE-CD1 4.13Å; M236-I337 HydrophobicContact SD-CD1 4.5Å; I255-I337 HydrophobicContact CB-CG2 4.26Å; I255-I337 HydrophobicContact CG1-CG2 3.87Å; I255-I337 HydrophobicContact CG2-CG2 4.24Å; N258-I337 HydrophobicContact CB-CD1 3.74Å; I337-V343 WeakPolarHBondContact O-CA 3.17Å; I337-Y344 PolarHBondContact N-O 3.49Å; I337-Y344 VanDerWaalsContact N-O 3.08Å; I337-Y344 PolarHBondContact O-N 2.85Å; I337-L346 HydrophobicContact CD1-CD1 3.69Å; I337-L346 HydrophobicContact CD1-CG 4.45Å; I337-L346 HydrophobicContact CG1-CD1 3.88Å; I337-L346 HydrophobicContact CG1-CG 4.24Å; I337-L346 HydrophobicContact CG2-CD1 4.31Å
338	Y	95.3	Very high	87	Confident	107 Å²	107	35.3 Å²	35.3	42%	0.42	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.2	166.1	173.5	-101.8	0	0	0	109.6	G341 H342 V359 W365	Y338-G341 WeakPolarHBondContact OH-CA 3.48Å; Y338-H342 WeakPolarHBondContact CA-O 3.44Å; Y338-H342 WeakPolarHBondContact CD2-O 3.48Å; Y338-V359 HydrophobicContact CD2-CG2 3.76Å; Y338-V359 HydrophobicContact CE2-CB 4.04Å; Y338-V359 HydrophobicContact CE2-CG2 3.67Å; Y338-W365 HydrophobicContact CD1-CG 4.37Å; Y338-W365 HydrophobicContact CD2-CB 3.47Å; Y338-W365 VanDerWaalsContact CD2-CB 3.47Å; Y338-W365 HydrophobicContact CD2-CG 4.05Å; Y338-W365 HydrophobicContact CE2-CB 4.01Å; Y338-W365 HydrophobicContact CG-CB 3.73Å; Y338-W365 HydrophobicContact CG-CD2 4.25Å; Y338-W365 AromaticContact CG-CG 3.76Å; Y338-W365 HydrophobicContact CG-CG 3.76Å
339	S	94	Very high	88.9	Confident	26 Å²	26	32.2 Å²	32.2	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	133.4	175.8	-169.7	0	0	0	0	110.1	G341 H342 Y344	S339-G341 VanDerWaalsContact C-N 3.27Å; S339-G341 PolarHBondContact O-N 3.44Å; S339-G341 VanDerWaalsContact O-N 3.12Å; S339-H342 PolarHBondContact N-O 2.96Å; S339-H342 PolarHBondContact O-N 2.79Å; S339-Y344 WeakPolarHBondContact O-CE2 3.34Å
340	K	91.8	Very high	90.6	Very high	131 Å²	131	32 Å²	32	57%	0.57	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	43.1	174.3	-57.2	-173	-175.8	178	0	114.5	P233 D235 H342	P233-K340 HydrophobicContact CB-CD 3.83Å; P233-K340 HydrophobicContact CG-CD 3.75Å; P233-K340 HydrophobicContact CG-CG 4.32Å; D235-K340 IonicContact OD1-NZ 2.67Å; D235-K340 PolarHBondContact OD1-NZ 3.38Å; D235-K340 WeakPolarHBondContact OD2-CE 3.32Å; D235-K340 IonicContact OD2-NZ 2.96Å; D235-K340 PolarHBondContact OD2-NZ 2.98Å; K340-H342 VanDerWaalsContact C-N 3.33Å; K340-H342 PolarHBondContact O-N 3.04Å
341	G	92.6	Very high	91.7	Very high	22 Å²	22	34.1 Å²	34.1	23%	0.227	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.2	178.3	0	0	0	0	0	115.2	Y338 S339 A358 V359	Y338-G341 WeakPolarHBondContact OH-CA 3.48Å; S339-G341 VanDerWaalsContact C-N 3.27Å; S339-G341 PolarHBondContact O-N 3.44Å; S339-G341 VanDerWaalsContact O-N 3.12Å; G341-A358 CarbonylContact O-C 3.51Å; G341-A358 WeakPolarHBondContact O-CA 3.32Å; G341-V359 PolarHBondContact O-N 3.31Å
342	H	94.1	Very high	92.3	Very high	44 Å²	44	34.8 Å²	34.8	20%	0.204	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.3	-174.4	-75.1	-125.4	0	0	0	111.6	Y338 S339 K340 Y344 D355 G357	Y338-H342 WeakPolarHBondContact CA-O 3.44Å; Y338-H342 WeakPolarHBondContact CD2-O 3.48Å; S339-H342 PolarHBondContact N-O 2.96Å; S339-H342 PolarHBondContact O-N 2.79Å; K340-H342 VanDerWaalsContact C-N 3.33Å; K340-H342 PolarHBondContact O-N 3.04Å; H342-Y344 HydrophobicContact CB-CD2 4.22Å; H342-Y344 HydrophobicContact CB-CE2 3.47Å; H342-Y344 VanDerWaalsContact CB-CE2 3.47Å; H342-D355 IonicContact CE1-OD2 2.84Å; H342-D355 IonicContact CG-OD1 2.81Å; H342-D355 IonicContact CG-OD2 2.99Å; H342-D355 IonicContact ND1-OD1 3.27Å; H342-D355 PolarHBondContact ND1-OD1 3.43Å; H342-D355 IonicContact ND1-OD2 2.96Å; H342-D355 PolarHBondContact ND1-OD2 3.06Å; H342-G357 WeakPolarHBondContact CA-O 3.33Å
343	V	94.7	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.4	168.4	-175.3	0	0	0	0	108.9	I337 L356 G357 V359 F369 L372	I337-V343 WeakPolarHBondContact O-CA 3.17Å; V343-L356 HydrophobicContact CB-CB 4.34Å; V343-L356 HydrophobicContact CG1-CD1 4.05Å; V343-L356 WeakPolarHBondContact O-CA 3.03Å; V343-L356 WeakPolarHBondContact O-CB 3.49Å; V343-L356 PolarHBondContact O-N 3.46Å; V343-G357 PolarHBondContact N-O 3.26Å; V343-G357 VanDerWaalsContact N-O 3.1Å; V343-V359 HydrophobicContact CG2-CG2 3.59Å; V343-F369 HydrophobicContact CG1-CD2 4.45Å; V343-L372 HydrophobicContact CB-CD1 4.4Å; V343-L372 HydrophobicContact CG1-CD1 4.44Å
344	Y	95.1	Very high	92.9	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.5	178.9	-65.9	-87.4	0	0	0	111.3	A232 M236 F336 I337 S339 H342 L354 D355	A232-Y344 HydrophobicContact CB-CE1 4.41Å; M236-Y344 HydrophobicContact CE-CD1 4.19Å; M236-Y344 HydrophobicContact CE-CD2 3.4Å; M236-Y344 VanDerWaalsContact CE-CD2 3.4Å; M236-Y344 HydrophobicContact CE-CE1 4.44Å; M236-Y344 HydrophobicContact CE-CE2 3.65Å; M236-Y344 HydrophobicContact CE-CG 3.69Å; M236-Y344 HydrophobicContact SD-CG 4.31Å; F336-Y344 VanDerWaalsContact CA-O 3.29Å; F336-Y344 WeakPolarHBondContact CA-O 3.04Å; I337-Y344 PolarHBondContact N-O 3.49Å; I337-Y344 VanDerWaalsContact N-O 3.08Å; I337-Y344 PolarHBondContact O-N 2.85Å; S339-Y344 WeakPolarHBondContact O-CE2 3.34Å; H342-Y344 HydrophobicContact CB-CD2 4.22Å; H342-Y344 HydrophobicContact CB-CE2 3.47Å; H342-Y344 VanDerWaalsContact CB-CE2 3.47Å; Y344-L354 CarbonylContact C-O 3.6Å; Y344-L354 VanDerWaalsContact CA-O 3.29Å; Y344-L354 WeakPolarHBondContact CA-O 3.44Å; Y344-D355 HydrophobicContact CD1-CB 4Å; Y344-D355 HydrophobicContact CE1-CB 3.64Å
345	E	94.9	Very high	92.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.7	164.9	179.4	179	-157.6	0	0	109.4	S334 S335 F336 D347 R350 L354 L356 R376	S334-E345 WeakPolarHBondContact OG-CG 3.45Å; S334-E345 PolarHBondContact OG-OE1 3.18Å; S335-E345 CarbonylContact O-C 3.51Å; S335-E345 WeakPolarHBondContact O-CA 3.37Å; F336-E345 HydrophobicContact CD1-CB 4.1Å; F336-E345 HydrophobicContact CD1-CG 4.43Å; F336-E345 HydrophobicContact CE1-CB 3.82Å; F336-E345 HydrophobicContact CE1-CG 3.85Å; F336-E345 HydrophobicContact CZ-CG 4.04Å; E345-D347 HydrophobicContact CG-CB 4.35Å; E345-R350 IonicContact OE1-NH2 3.97Å; E345-R350 IonicContact OE2-CZ 2.67Å; E345-R350 IonicContact OE2-NH1 3.23Å; E345-R350 IonicContact OE2-NH2 2.98Å; E345-R350 PolarHBondContact OE2-NH2 3.39Å; E345-L354 HydrophobicContact CB-CB 4.2Å; E345-L354 PolarHBondContact N-O 3.25Å; E345-L354 PolarHBondContact O-N 3.01Å; E345-L356 HydrophobicContact CB-CD1 4.13Å; E345-L356 HydrophobicContact CB-CD2 4.3Å; E345-L356 HydrophobicContact CB-CG 4.28Å; E345-R376 VanDerWaalsContact CD-NH1 3.31Å; E345-R376 IonicContact OE1-CZ 3.03Å; E345-R376 IonicContact OE1-NH1 3.97Å; E345-R376 PolarHBondContact OE1-NH1 3.02Å; E345-R376 VanDerWaalsContact OE1-NH1 3.1Å; E345-R376 IonicContact OE1-NH2 3.84Å; E345-R376 PolarHBondContact OE1-NH2 3.47Å; E345-R376 IonicContact OE2-CZ 2.71Å; E345-R376 IonicContact OE2-NH1 3.78Å; E345-R376 PolarHBondContact OE2-NH1 3.11Å; E345-R376 IonicContact OE2-NH2 2.93Å
346	L	94.6	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	78.5	178	-53.4	-172.9	0	0	0	109.4	M236 F238 N254 S335 I337 P353	M236-L346 HydrophobicContact SD-CD2 3.95Å; F238-L346 HydrophobicContact CD2-CB 4.03Å; F238-L346 HydrophobicContact CD2-CD2 4.01Å; F238-L346 HydrophobicContact CE2-CB 4.29Å; N254-L346 HydrophobicContact CB-CB 4.07Å; N254-L346 HydrophobicContact CB-CD1 3.89Å; N254-L346 VanDerWaalsContact O-CD1 3.24Å; N254-L346 WeakPolarHBondContact O-CD1 3.16Å; S335-L346 PolarHBondContact N-O 3.41Å; S335-L346 PolarHBondContact O-N 3.34Å; I337-L346 HydrophobicContact CD1-CD1 3.69Å; I337-L346 HydrophobicContact CD1-CG 4.45Å; I337-L346 HydrophobicContact CG1-CD1 3.88Å; I337-L346 HydrophobicContact CG1-CG 4.24Å; I337-L346 HydrophobicContact CG2-CD1 4.31Å; L346-P353 HydrophobicContact CD2-CB 3.65Å; L346-P353 HydrophobicContact CD2-CG 3.97Å
347	D	92.1	Very high	92.3	Very high	15 Å²	15	37.1 Å²	37.1	8%	0.08	19%	0.187	C	C	.	.			trans	-89.1	112.3	178.4	178.1	-5.9	0	0	0	109.9	F238 H332 E345 L349 R350	F238-D347 WeakPolarHBondContact CZ-O 3.12Å; H332-D347 IonicContact CD2-OD1 3.99Å; H332-D347 IonicContact CE1-OD1 3.6Å; H332-D347 IonicContact NE2-OD1 2.98Å; H332-D347 PolarHBondContact NE2-OD1 2.93Å; E345-D347 HydrophobicContact CG-CB 4.35Å; D347-L349 PolarHBondContact O-N 3.34Å; D347-L349 PolarHBondContact OD1-N 3.18Å; D347-R350 HydrophobicContact CB-CB 4.48Å; D347-R350 HydrophobicContact CB-CG 3.88Å; D347-R350 WeakPolarHBondContact O-CB 3.46Å; D347-R350 PolarHBondContact O-N 3.33Å; D347-R350 IonicContact OD2-CZ 3.52Å; D347-R350 IonicContact OD2-NE 3.34Å; D347-R350 PolarHBondContact OD2-NE 3.03Å; D347-R350 VanDerWaalsContact OD2-NE 3.17Å; D347-R350 IonicContact OD2-NH2 2.89Å
348	G	90.8	Very high	92.1	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.4	-178.4	0	0	0	0	0	114.5	K240 Q241	K240-G348 CarbonylContact C-O 3.59Å; K240-G348 WeakPolarHBondContact CA-O 3.38Å; K240-G348 WeakPolarHBondContact CG-O 3.44Å; Q241-G348 PolarHBondContact N-O 3.33Å
349	L	89.4	Confident	92	Very high	53 Å²	53	35.6 Å²	35.6	28%	0.277	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.9	175.4	-62.9	179.5	0	0	0	113.9	R212 H332 D347	R212-L349 PolarHBondContact NH2-O 2.8Å; H332-L349 VanDerWaalsContact CE1-CD1 3.48Å; H332-L349 WeakPolarHBondContact CE1-CD1 3.43Å; H332-L349 VanDerWaalsContact CE1-CG 3.42Å; H332-L349 WeakPolarHBondContact CE1-CG 3.38Å; D347-L349 PolarHBondContact O-N 3.34Å; D347-L349 PolarHBondContact OD1-N 3.18Å
350	R	88.9	Confident	92	Very high	40 Å²	40	37.5 Å²	37.5	15%	0.151	21%	0.207	C	C	.	.	S	Bend	trans	-101.1	161.1	176.5	-62	-172.3	-167.9	-177.3	11.6	111.8	H216 F238 E345 D347	H216-R350 VanDerWaalsContact NE2-CZ 3.29Å; H216-R350 PolarHBondContact NE2-NH1 2.94Å; F238-R350 WeakPolarHBondContact CZ-O 3.42Å; E345-R350 IonicContact OE1-NH2 3.97Å; E345-R350 IonicContact OE2-CZ 2.67Å; E345-R350 IonicContact OE2-NH1 3.23Å; E345-R350 IonicContact OE2-NH2 2.98Å; E345-R350 PolarHBondContact OE2-NH2 3.39Å; D347-R350 HydrophobicContact CB-CB 4.48Å; D347-R350 HydrophobicContact CB-CG 3.88Å; D347-R350 WeakPolarHBondContact O-CB 3.46Å; D347-R350 PolarHBondContact O-N 3.33Å; D347-R350 IonicContact OD2-CZ 3.52Å; D347-R350 IonicContact OD2-NE 3.34Å; D347-R350 PolarHBondContact OD2-NE 3.03Å; D347-R350 VanDerWaalsContact OD2-NE 3.17Å; D347-R350 IonicContact OD2-NH2 2.89Å
351	D	89.5	Confident	92	Very high	121 Å²	121	36.6 Å²	36.6	65%	0.647	22%	0.224	S	C	*	.	S	Bend	trans	-82.7	-24.9	176.9	-60.3	-42.2	0	0	0	112.5	K240	K240-D351 IonicContact NZ-OD1 2.83Å; K240-D351 PolarHBondContact NZ-OD1 3.47Å
352	E	90.9	Very high	92	Very high	103 Å²	103	44.9 Å²	44.9	48%	0.481	26%	0.257	S	S	.	.	S	Bend	trans	-140.5	152.4	-179	61.3	-179.7	-171.5	0	0	112	R229	R229-E352 IonicContact NH1-OE1 2.94Å; R229-E352 PolarHBondContact NH1-OE1 3.24Å
353	P	93.4	Very high	91.9	Very high	22 Å²	22	44.1 Å²	44.1	14%	0.143	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55.4	142.6	166.8	-25.4	36	0	0	0	111.7	A232 M236 F238 L346	A232-P353 HydrophobicContact CB-CB 3.9Å; A232-P353 HydrophobicContact CB-CG 3.86Å; M236-P353 HydrophobicContact SD-CB 4.12Å; M236-P353 HydrophobicContact SD-CG 4.04Å; F238-P353 HydrophobicContact CB-CG 3.72Å; F238-P353 HydrophobicContact CD1-CG 3.94Å; F238-P353 HydrophobicContact CD2-CG 4.11Å; F238-P353 HydrophobicContact CG-CG 3.65Å; L346-P353 HydrophobicContact CD2-CB 3.65Å; L346-P353 HydrophobicContact CD2-CG 3.97Å
354	L	90.5	Very high	91.9	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.3	172.3	174.7	70.3	0	0	0	110.4	Y344 E345 L356	Y344-L354 CarbonylContact C-O 3.6Å; Y344-L354 VanDerWaalsContact CA-O 3.29Å; Y344-L354 WeakPolarHBondContact CA-O 3.44Å; E345-L354 HydrophobicContact CB-CB 4.2Å; E345-L354 PolarHBondContact N-O 3.25Å; E345-L354 PolarHBondContact O-N 3.01Å; L354-L356 HydrophobicContact CD2-CD2 3.63Å; L354-L356 HydrophobicContact CG-CD2 3.96Å
355	D	92.1	Very high	92	Very high	22 Å²	22	47.9 Å²	47.9	12%	0.118	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.3	168.1	-166.5	-20.4	0	0	0	109.9	P230 H342 Y344 G357	P230-D355 WeakPolarHBondContact CG-OD2 3.45Å; H342-D355 IonicContact CE1-OD2 2.84Å; H342-D355 IonicContact CG-OD1 2.81Å; H342-D355 IonicContact CG-OD2 2.99Å; H342-D355 IonicContact ND1-OD1 3.27Å; H342-D355 PolarHBondContact ND1-OD1 3.43Å; H342-D355 IonicContact ND1-OD2 2.96Å; H342-D355 PolarHBondContact ND1-OD2 3.06Å; Y344-D355 HydrophobicContact CD1-CB 4Å; Y344-D355 HydrophobicContact CE1-CB 3.64Å; D355-G357 WeakPolarHBondContact OD1-CA 3.33Å; D355-G357 PolarHBondContact OD1-N 2.97Å
356	L	90.1	Very high	92	Very high	6 Å²	6	48 Å²	48	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	3.4	178.3	-57.7	179.8	0	0	0	112.9	I219 Y226 F336 V343 E345 L354 L372	I219-L356 HydrophobicContact CG2-CD2 4.43Å; Y226-L356 PolarHBondContact OH-O 2.91Å; Y226-L356 VanDerWaalsContact OH-O 3.04Å; F336-L356 HydrophobicContact CD1-CD1 3.69Å; F336-L356 HydrophobicContact CE1-CD1 3.76Å; V343-L356 HydrophobicContact CB-CB 4.34Å; V343-L356 HydrophobicContact CG1-CD1 4.05Å; V343-L356 WeakPolarHBondContact O-CA 3.03Å; V343-L356 WeakPolarHBondContact O-CB 3.49Å; V343-L356 PolarHBondContact O-N 3.46Å; E345-L356 HydrophobicContact CB-CD1 4.13Å; E345-L356 HydrophobicContact CB-CD2 4.3Å; E345-L356 HydrophobicContact CB-CG 4.28Å; L354-L356 HydrophobicContact CD2-CD2 3.63Å; L354-L356 HydrophobicContact CG-CD2 3.96Å; L356-L372 HydrophobicContact CB-CD1 3.98Å; L356-L372 HydrophobicContact CD1-CD1 4.21Å
357	G	87	Confident	92	Very high	10 Å²	10	51.1 Å²	51.1	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.8	165.2	176.6	0	0	0	0	0	114.2	H342 V343 D355	H342-G357 WeakPolarHBondContact CA-O 3.33Å; V343-G357 PolarHBondContact N-O 3.26Å; V343-G357 VanDerWaalsContact N-O 3.1Å; D355-G357 WeakPolarHBondContact OD1-CA 3.33Å; D355-G357 PolarHBondContact OD1-N 2.97Å
358	A	92.2	Very high	92.1	Very high	60 Å²	60	51.8 Å²	51.8	50%	0.496	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.9	177.1	0	0	0	0	0	111.3	G341	G341-A358 CarbonylContact O-C 3.51Å; G341-A358 WeakPolarHBondContact O-CA 3.32Å
359	V	93.4	Very high	92.3	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-79.1	124	173.3	-178.4	0	0	0	0	108.9	Y338 G341 V343 A361 V363 W365 H368	Y338-V359 HydrophobicContact CD2-CG2 3.76Å; Y338-V359 HydrophobicContact CE2-CB 4.04Å; Y338-V359 HydrophobicContact CE2-CG2 3.67Å; G341-V359 PolarHBondContact O-N 3.31Å; V343-V359 HydrophobicContact CG2-CG2 3.59Å; V359-A361 PolarHBondContact O-N 3.09Å; V359-V363 VanDerWaalsContact CG1-O 3.27Å; V359-V363 WeakPolarHBondContact CG1-O 3.49Å; V359-W365 HydrophobicContact CG1-CB 4.29Å; V359-W365 HydrophobicContact CG2-CB 4.07Å; V359-H368 HydrophobicContact CG1-CB 4.06Å; V359-H368 HydrophobicContact CG2-CB 4.38Å
360	P	94	Very high	92.5	Very high	65 Å²	65	50.2 Å²	50.2	42%	0.422	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-57.4	138.4	174.1	-24.1	34	0	0	0	111.6	E362 V363	P360-E362 PolarHBondContact O-N 3.26Å; P360-V363 HydrophobicContact CB-CB 4.43Å; P360-V363 HydrophobicContact CB-CG2 4.21Å; P360-V363 PolarHBondContact O-N 3.46Å
361	A	91.1	Very high	92.6	Very high	112 Å²	112	54.3 Å²	54.3	93%	0.926	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.1	-174.6	0	0	0	0	0	114.4	V359	V359-A361 PolarHBondContact O-N 3.09Å
362	E	92.6	Very high	92.6	Very high	197 Å²	197	50.9 Å²	50.9	92%	0.921	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.7	-179.8	-59.1	-157.8	-156.4	0	0	114	P360	P360-E362 PolarHBondContact O-N 3.26Å
363	V	93.3	Very high	92.4	Very high	27 Å²	27	46 Å²	46	16%	0.164	26%	0.255	C	S	.	.	S	Bend	trans	-116.6	131.9	-173	-177.7	0	0	0	0	109.6	V359 P360 E367 H368	V359-V363 VanDerWaalsContact CG1-O 3.27Å; V359-V363 WeakPolarHBondContact CG1-O 3.49Å; P360-V363 HydrophobicContact CB-CB 4.43Å; P360-V363 HydrophobicContact CB-CG2 4.21Å; P360-V363 PolarHBondContact O-N 3.46Å; V363-E367 HydrophobicContact CG1-CB 3.91Å; V363-E367 HydrophobicContact CG1-CG 4.05Å; V363-H368 HydrophobicContact CG1-CB 4.22Å
364	H	95.2	Very high	92	Very high	65 Å²	65	47 Å²	47	30%	0.301	26%	0.258	S	S	.	.			trans	-67.3	140.5	173.1	-168	-93.8	0	0	0	110.2	R196 T366 E367 H368	R196-H364 PolarHBondContact O-CE1 2.97Å; H364-T366 PolarHBondContact ND1-N 3.4Å; H364-T366 PolarHBondContact ND1-OG1 2.67Å; H364-T366 PolarHBondContact O-N 3.19Å; H364-T366 VanDerWaalsContact O-N 3.1Å; H364-E367 WeakPolarHBondContact O-CB 3.5Å; H364-E367 PolarHBondContact O-N 3.01Å; H364-H368 PolarHBondContact O-N 3.17Å; H364-H368 VanDerWaalsContact O-N 3.1Å
365	W	95.8	Very high	91.5	Very high	24 Å²	24	46.1 Å²	46.1	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-33.5	-173.1	80	-94	0	0	0	113.4	A198 F201 Y338 V359 E367 H368 F369	A198-W365 HydrophobicContact CB-CH2 4.31Å; A198-W365 HydrophobicContact CB-CZ2 4Å; A198-W365 VanDerWaalsContact O-CZ2 3.27Å; A198-W365 WeakPolarHBondContact O-CZ2 3.28Å; F201-W365 AromaticContact CD2-CH2 3.48Å; F201-W365 HydrophobicContact CD2-CH2 3.48Å; F201-W365 VanDerWaalsContact CD2-CH2 3.48Å; F201-W365 AromaticContact CD2-CZ3 3.67Å; F201-W365 HydrophobicContact CD2-CZ3 3.67Å; F201-W365 AromaticContact CE2-CH2 3.22Å; F201-W365 HydrophobicContact CE2-CH2 3.22Å; F201-W365 HydrophobicContact CE2-CZ2 4.08Å; F201-W365 AromaticContact CE2-CZ3 3.5Å; F201-W365 HydrophobicContact CE2-CZ3 3.5Å; F201-W365 VanDerWaalsContact CE2-CZ3 3.5Å; F201-W365 HydrophobicContact CZ-CH2 4.35Å; Y338-W365 HydrophobicContact CD1-CG 4.37Å; Y338-W365 HydrophobicContact CD2-CB 3.47Å; Y338-W365 VanDerWaalsContact CD2-CB 3.47Å; Y338-W365 HydrophobicContact CD2-CG 4.05Å; Y338-W365 HydrophobicContact CE2-CB 4.01Å; Y338-W365 HydrophobicContact CG-CB 3.73Å; Y338-W365 HydrophobicContact CG-CD2 4.25Å; Y338-W365 AromaticContact CG-CG 3.76Å; Y338-W365 HydrophobicContact CG-CG 3.76Å; V359-W365 HydrophobicContact CG1-CB 4.29Å; V359-W365 HydrophobicContact CG2-CB 4.07Å; W365-E367 VanDerWaalsContact C-N 3.32Å; W365-E367 PolarHBondContact O-N 3.26Å; W365-H368 PolarHBondContact O-N 3.5Å; W365-F369 HydrophobicContact CE3-CB 4.19Å; W365-F369 HydrophobicContact CZ3-CB 4.2Å; W365-F369 HydrophobicContact CZ3-CG 4.46Å; W365-F369 WeakPolarHBondContact O-CB 3.47Å; W365-F369 PolarHBondContact O-N 3.01Å
366	T	96	Very high	90.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-66.1	-33.8	177.8	58.7	0	0	0	0	112.6	A198 F201 H364 Q370	A198-T366 HydrophobicContact CB-CG2 4.44Å; F201-T366 HydrophobicContact CE2-CG2 4.06Å; F201-T366 HydrophobicContact CZ-CG2 4.14Å; H364-T366 PolarHBondContact ND1-N 3.4Å; H364-T366 PolarHBondContact ND1-OG1 2.67Å; H364-T366 PolarHBondContact O-N 3.19Å; H364-T366 VanDerWaalsContact O-N 3.1Å; T366-Q370 WeakPolarHBondContact O-CB 3.28Å; T366-Q370 PolarHBondContact O-N 3.27Å
367	E	94.7	Very high	89.7	Confident	66 Å²	66	49.1 Å²	49.1	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-74.2	-38.5	175.2	-174.9	-175.8	160.6	0	0	110.6	V363 H364 W365 Q370 R371	V363-E367 HydrophobicContact CG1-CB 3.91Å; V363-E367 HydrophobicContact CG1-CG 4.05Å; H364-E367 WeakPolarHBondContact O-CB 3.5Å; H364-E367 PolarHBondContact O-N 3.01Å; W365-E367 VanDerWaalsContact C-N 3.32Å; W365-E367 PolarHBondContact O-N 3.26Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 3.43Å; E367-R371 WeakPolarHBondContact O-CG 3.34Å; E367-R371 PolarHBondContact O-N 3.46Å; E367-R371 VanDerWaalsContact O-N 3.13Å; E367-R371 IonicContact OE1-CZ 3.19Å; E367-R371 IonicContact OE1-NH2 2.65Å; E367-R371 PolarHBondContact OE1-NH2 3.21Å
368	H	93.5	Very high	88.7	Confident	28 Å²	28	53.9 Å²	53.9	13%	0.13	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-46.7	171.6	-174.3	79.2	0	0	0	111.4	V359 V363 H364 W365 Q370 R371 L372	V359-H368 HydrophobicContact CG1-CB 4.06Å; V359-H368 HydrophobicContact CG2-CB 4.38Å; V363-H368 HydrophobicContact CG1-CB 4.22Å; H364-H368 PolarHBondContact O-N 3.17Å; H364-H368 VanDerWaalsContact O-N 3.1Å; W365-H368 PolarHBondContact O-N 3.5Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.02Å; H368-R371 PolarHBondContact O-N 3.24Å; H368-L372 WeakPolarHBondContact O-CG 3.29Å; H368-L372 PolarHBondContact O-N 3.39Å; H368-L372 VanDerWaalsContact O-N 3.11Å
369	F	94.6	Very high	87.1	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-42.3	173.7	169.7	-104	0	0	0	112.4	F201 F336 V343 W365 R371 L372 I373 L392	F201-F369 HydrophobicContact CB-CE1 3.71Å; F201-F369 HydrophobicContact CB-CZ 3.69Å; F201-F369 HydrophobicContact CD1-CD1 4.43Å; F201-F369 AromaticContact CD1-CE1 3.83Å; F201-F369 HydrophobicContact CD1-CE1 3.83Å; F201-F369 AromaticContact CD2-CD1 3.31Å; F201-F369 HydrophobicContact CD2-CD1 3.31Å; F201-F369 AromaticContact CD2-CE1 3.29Å; F201-F369 HydrophobicContact CD2-CE1 3.29Å; F201-F369 AromaticContact CD2-CG 3.99Å; F201-F369 HydrophobicContact CD2-CG 3.99Å; F201-F369 AromaticContact CD2-CZ 3.97Å; F201-F369 HydrophobicContact CD2-CZ 3.97Å; F201-F369 HydrophobicContact CE1-CE1 4.26Å; F201-F369 AromaticContact CE2-CD1 3.4Å; F201-F369 HydrophobicContact CE2-CD1 3.4Å; F201-F369 VanDerWaalsContact CE2-CD1 3.4Å; F201-F369 AromaticContact CE2-CE1 3.77Å; F201-F369 HydrophobicContact CE2-CE1 3.77Å; F201-F369 HydrophobicContact CE2-CG 4.18Å; F201-F369 AromaticContact CG-CD1 3.87Å; F201-F369 HydrophobicContact CG-CD1 3.87Å; F201-F369 AromaticContact CG-CE1 3.33Å; F201-F369 HydrophobicContact CG-CE1 3.33Å; F201-F369 AromaticContact CG-CZ 3.87Å; F201-F369 HydrophobicContact CG-CZ 3.87Å; F201-F369 HydrophobicContact CZ-CD1 4.04Å; F201-F369 HydrophobicContact CZ-CE1 4.25Å; F336-F369 HydrophobicContact CB-CD2 3.97Å; F336-F369 HydrophobicContact CB-CE2 3.56Å; F336-F369 HydrophobicContact CB-CZ 4.22Å; F336-F369 HydrophobicContact CD1-CD2 4.11Å; F336-F369 AromaticContact CD1-CE2 3.57Å; F336-F369 HydrophobicContact CD1-CE2 3.57Å; F336-F369 AromaticContact CD2-CE2 3.77Å; F336-F369 HydrophobicContact CD2-CE2 3.77Å; F336-F369 HydrophobicContact CD2-CZ 4.1Å; F336-F369 HydrophobicContact CE1-CE2 4.17Å; F336-F369 HydrophobicContact CE2-CE2 4.38Å; F336-F369 HydrophobicContact CG-CD2 4.08Å; F336-F369 AromaticContact CG-CE2 3.33Å; F336-F369 HydrophobicContact CG-CE2 3.33Å; F336-F369 HydrophobicContact CG-CZ 4.07Å; V343-F369 HydrophobicContact CG1-CD2 4.45Å; W365-F369 HydrophobicContact CE3-CB 4.19Å; W365-F369 HydrophobicContact CZ3-CB 4.2Å; W365-F369 HydrophobicContact CZ3-CG 4.46Å; W365-F369 WeakPolarHBondContact O-CB 3.47Å; W365-F369 PolarHBondContact O-N 3.01Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 3.1Å; F369-L372 WeakPolarHBondContact O-CB 3.46Å; F369-L372 PolarHBondContact O-N 3.23Å; F369-L372 VanDerWaalsContact O-N 3.1Å; F369-I373 HydrophobicContact CE1-CB 4.46Å; F369-I373 HydrophobicContact CE1-CG2 4.29Å; F369-I373 HydrophobicContact CE2-CB 4.26Å; F369-I373 HydrophobicContact CZ-CB 4.07Å; F369-I373 HydrophobicContact CZ-CD1 4.48Å; F369-I373 HydrophobicContact CZ-CG1 4.27Å; F369-I373 HydrophobicContact CZ-CG2 4.38Å; F369-I373 PolarHBondContact O-N 3.21Å; F369-L392 HydrophobicContact CE1-CD1 4.24Å; F369-L392 HydrophobicContact CE1-CD2 4.27Å; F369-L392 HydrophobicContact CZ-CD1 4.03Å
370	Q	93	Very high	85.1	Confident	23 Å²	23	57.2 Å²	57.2	11%	0.107	31%	0.308	C	S	.	.	H	α-helix	trans	-56.1	-44.5	175.9	-175.4	171.4	19.6	0	0	111.7	L190 S192 M194 T366 E367 H368 I373 I374	L190-Q370 PolarHBondContact O-NE2 2.89Å; S192-Q370 PolarHBondContact O-NE2 3.08Å; M194-Q370 HydrophobicContact CE-CB 4.29Å; M194-Q370 HydrophobicContact CE-CG 3.88Å; M194-Q370 HydrophobicContact CG-CB 3.84Å; M194-Q370 HydrophobicContact CG-CG 4.03Å; T366-Q370 WeakPolarHBondContact O-CB 3.28Å; T366-Q370 PolarHBondContact O-N 3.27Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 3.43Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.02Å; Q370-I373 WeakPolarHBondContact O-CG2 3.38Å; Q370-I373 PolarHBondContact O-N 2.91Å; Q370-I374 HydrophobicContact CG-CD1 3.83Å; Q370-I374 WeakPolarHBondContact O-CB 3.24Å; Q370-I374 WeakPolarHBondContact O-CD1 3.31Å; Q370-I374 WeakPolarHBondContact O-CG1 3.48Å; Q370-I374 PolarHBondContact O-N 3.46Å
371	R	91.5	Very high	82.7	Confident	126 Å²	126	63.8 Å²	63.8	48%	0.475	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-41.7	175.6	-63.8	174.3	-161.7	157.6	1.6	111.9	E367 H368 F369 G375	E367-R371 WeakPolarHBondContact O-CG 3.34Å; E367-R371 PolarHBondContact O-N 3.46Å; E367-R371 VanDerWaalsContact O-N 3.13Å; E367-R371 IonicContact OE1-CZ 3.19Å; E367-R371 IonicContact OE1-NH2 2.65Å; E367-R371 PolarHBondContact OE1-NH2 3.21Å; H368-R371 PolarHBondContact O-N 3.24Å; F369-R371 VanDerWaalsContact C-N 3.3Å; F369-R371 PolarHBondContact O-N 3.1Å; R371-G375 PolarHBondContact O-N 3.39Å
372	L	88.8	Confident	80.3	Confident	48 Å²	48	61.4 Å²	61.4	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.2	-67.5	173.7	0	0	0	112.2	V343 L356 H368 F369 G375 R376	V343-L372 HydrophobicContact CB-CD1 4.4Å; V343-L372 HydrophobicContact CG1-CD1 4.44Å; L356-L372 HydrophobicContact CB-CD1 3.98Å; L356-L372 HydrophobicContact CD1-CD1 4.21Å; H368-L372 WeakPolarHBondContact O-CG 3.29Å; H368-L372 PolarHBondContact O-N 3.39Å; H368-L372 VanDerWaalsContact O-N 3.11Å; F369-L372 WeakPolarHBondContact O-CB 3.46Å; F369-L372 PolarHBondContact O-N 3.23Å; F369-L372 VanDerWaalsContact O-N 3.1Å; L372-G375 PolarHBondContact O-N 3.47Å; L372-R376 WeakPolarHBondContact O-CB 3.42Å; L372-R376 PolarHBondContact O-N 3.05Å
373	I	86.8	Confident	77.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-73	-37	-177.2	-160.1	64.2	0	0	0	111.8	L190 F203 F369 Q370 R376 V377	L190-I373 HydrophobicContact CD2-CG2 4.18Å; F203-I373 HydrophobicContact CD1-CD1 4.14Å; F203-I373 HydrophobicContact CD2-CD1 4.02Å; F203-I373 HydrophobicContact CD2-CG1 4.41Å; F203-I373 HydrophobicContact CE1-CD1 4.21Å; F203-I373 HydrophobicContact CE2-CD1 4.07Å; F203-I373 HydrophobicContact CE2-CG1 4.34Å; F203-I373 HydrophobicContact CG-CD1 4.05Å; F203-I373 HydrophobicContact CZ-CD1 4.18Å; F369-I373 HydrophobicContact CE1-CB 4.46Å; F369-I373 HydrophobicContact CE1-CG2 4.29Å; F369-I373 HydrophobicContact CE2-CB 4.26Å; F369-I373 HydrophobicContact CZ-CB 4.07Å; F369-I373 HydrophobicContact CZ-CD1 4.48Å; F369-I373 HydrophobicContact CZ-CG1 4.27Å; F369-I373 HydrophobicContact CZ-CG2 4.38Å; F369-I373 PolarHBondContact O-N 3.21Å; Q370-I373 WeakPolarHBondContact O-CG2 3.38Å; Q370-I373 PolarHBondContact O-N 2.91Å; I373-R376 PolarHBondContact O-N 2.96Å; I373-V377 HydrophobicContact CG1-CG2 4.33Å; I373-V377 WeakPolarHBondContact O-CB 3.2Å; I373-V377 VanDerWaalsContact O-CG2 3.28Å; I373-V377 WeakPolarHBondContact O-CG2 3.42Å; I373-V377 PolarHBondContact O-N 3.17Å
374	I	85.9	Confident	75.4	Confident	42 Å²	42	60.9 Å²	60.9	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-49.8	171.7	-71.1	170	0	0	0	109.5	L190 Q370 R376 V377 F378	L190-I374 HydrophobicContact CB-CG1 4.23Å; Q370-I374 HydrophobicContact CG-CD1 3.83Å; Q370-I374 WeakPolarHBondContact O-CB 3.24Å; Q370-I374 WeakPolarHBondContact O-CD1 3.31Å; Q370-I374 WeakPolarHBondContact O-CG1 3.48Å; Q370-I374 PolarHBondContact O-N 3.46Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 3.23Å; I374-V377 PolarHBondContact O-N 3.27Å; I374-F378 HydrophobicContact CB-CD2 4.32Å; I374-F378 HydrophobicContact CG2-CD2 3.77Å; I374-F378 HydrophobicContact CG2-CE2 4.37Å; I374-F378 WeakPolarHBondContact O-CB 3.34Å; I374-F378 VanDerWaalsContact O-CD2 3.3Å; I374-F378 WeakPolarHBondContact O-CD2 3.48Å; I374-F378 PolarHBondContact O-N 3.39Å
375	G	80.6	Confident	73.2	Confident	22 Å²	22	67.3 Å²	67.3	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-39.5	176	0	0	0	0	0	112.5	R371 L372 D379	R371-G375 PolarHBondContact O-N 3.39Å; L372-G375 PolarHBondContact O-N 3.47Å; G375-D379 WeakPolarHBondContact O-CA 3.5Å; G375-D379 VanDerWaalsContact O-CB 3.28Å; G375-D379 WeakPolarHBondContact O-CB 3.45Å; G375-D379 PolarHBondContact O-N 3.42Å
376	R	74.3	Confident	71.1	Confident	46 Å²	46	74.1 Å²	74.1	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-67.7	-37.2	177.5	-174.7	170.6	178.8	147.9	-14.7	113.7	I219 E345 L372 I373 I374	I219-R376 HydrophobicContact CD1-CG 4.34Å; E345-R376 VanDerWaalsContact CD-NH1 3.31Å; E345-R376 IonicContact OE1-CZ 3.03Å; E345-R376 IonicContact OE1-NH1 3.97Å; E345-R376 PolarHBondContact OE1-NH1 3.02Å; E345-R376 VanDerWaalsContact OE1-NH1 3.1Å; E345-R376 IonicContact OE1-NH2 3.84Å; E345-R376 PolarHBondContact OE1-NH2 3.47Å; E345-R376 IonicContact OE2-CZ 2.71Å; E345-R376 IonicContact OE2-NH1 3.78Å; E345-R376 PolarHBondContact OE2-NH1 3.11Å; E345-R376 IonicContact OE2-NH2 2.93Å; L372-R376 WeakPolarHBondContact O-CB 3.42Å; L372-R376 PolarHBondContact O-N 3.05Å; I373-R376 PolarHBondContact O-N 2.96Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 3.23Å
377	V	69.5	Low	69.3	Low	44 Å²	44	77 Å²	77	27%	0.267	40%	0.399	S	S	.	.	H	α-helix	trans	-81.8	-37.2	-177.8	173	0	0	0	0	111.5	L190 F203 I373 I374 Y390	L190-V377 HydrophobicContact CD1-CB 4.43Å; L190-V377 HydrophobicContact CD1-CG1 4.37Å; L190-V377 HydrophobicContact CD1-CG2 4.25Å; F203-V377 HydrophobicContact CE2-CG2 4.2Å; F203-V377 HydrophobicContact CZ-CG2 3.85Å; I373-V377 HydrophobicContact CG1-CG2 4.33Å; I373-V377 WeakPolarHBondContact O-CB 3.2Å; I373-V377 VanDerWaalsContact O-CG2 3.28Å; I373-V377 WeakPolarHBondContact O-CG2 3.42Å; I373-V377 PolarHBondContact O-N 3.17Å; I374-V377 PolarHBondContact O-N 3.27Å; V377-Y390 HydrophobicContact CG1-CD1 4.39Å; V377-Y390 HydrophobicContact CG1-CE1 3.89Å
378	F	66.2	Low	67.6	Low	111 Å²	111	80.7 Å²	80.7	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-106.5	-27.3	-170.1	-63.1	-75.3	0	0	0	115.2	L190 I374	L190-F378 HydrophobicContact CD1-CE2 4.03Å; I374-F378 HydrophobicContact CB-CD2 4.32Å; I374-F378 HydrophobicContact CG2-CD2 3.77Å; I374-F378 HydrophobicContact CG2-CE2 4.37Å; I374-F378 WeakPolarHBondContact O-CB 3.34Å; I374-F378 VanDerWaalsContact O-CD2 3.3Å; I374-F378 WeakPolarHBondContact O-CD2 3.48Å; I374-F378 PolarHBondContact O-N 3.39Å
379	D	58.6	Low	66.5	Low	116 Å²	116	84.6 Å²	84.6	62%	0.62	43%	0.432	S	S	*	.	S	Bend	trans	-98.2	-4.7	-175.1	-62.9	-31.3	0	0	0	114.5	G375 H381	G375-D379 WeakPolarHBondContact O-CA 3.5Å; G375-D379 VanDerWaalsContact O-CB 3.28Å; G375-D379 WeakPolarHBondContact O-CB 3.45Å; G375-D379 PolarHBondContact O-N 3.42Å; D379-H381 PolarHBondContact O-N 2.85Å; D379-H381 PolarHBondContact O-ND1 3.14Å
380	G	51.8	Low	65.9	Low	35 Å²	35	88.2 Å²	88.2	36%	0.361	45%	0.447	S	S	.	.			trans	-69	112.8	176.8	0	0	0	0	0	112.3	S382	G380-S382 PolarHBondContact O-N 3.09Å; G380-S382 PolarHBondContact O-OG 3.06Å
381	H	42.7	Very low	65.6	Low	202 Å²	202	88 Å²	88	94%	0.935	45%	0.448	S	S	*	.			trans	-64.1	31.4	-178.8	-74.4	58	0	0	0	116.1	D379	D379-H381 PolarHBondContact O-N 2.85Å; D379-H381 PolarHBondContact O-ND1 3.14Å
382	S	41	Very low	65.5	Low	63 Å²	63	82 Å²	82	44%	0.441	43%	0.425	S	S	.	.			trans	-84.9	135.2	167.7	34.6	0	0	0	0	109.9	G380 S384	G380-S382 PolarHBondContact O-N 3.09Å; G380-S382 PolarHBondContact O-OG 3.06Å; S382-S384 PolarHBondContact O-N 3.45Å
383	T	40.8	Very low	65.6	Low	161 Å²	161	81.9 Å²	81.9	99%	0.988	42%	0.424	S	S	*	.	S	Bend	trans	-60.1	28.1	-174.3	12.9	0	0	0	0	116.3
384	S	43.3	Very low	66	Low	52 Å²	52	81.8 Å²	81.8	36%	0.364	42%	0.423	S	S	.	.			trans	-137.3	66.6	-175.8	52.5	0	0	0	0	110.4	S382 Q386 E387	S382-S384 PolarHBondContact O-N 3.45Å; S384-Q386 PolarHBondContact O-N 2.71Å; S384-E387 PolarHBondContact O-N 2.93Å
385	Q	47	Very low	66.3	Low	200 Å²	200	79.8 Å²	79.8	94%	0.935	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	22.5	169.7	-75.4	-173.5	-26.1	0	0	114
386	Q	51.9	Low	67	Low	166 Å²	166	78.9 Å²	78.9	78%	0.776	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	12.1	-174.1	-70	-173.3	-28.9	0	0	113.6	S384 I388	S384-Q386 PolarHBondContact O-N 2.71Å; Q386-I388 PolarHBondContact O-N 3.22Å
387	E	58.4	Low	67.8	Low	64 Å²	64	77.3 Å²	77.3	30%	0.299	40%	0.399	S	S	.	.			trans	-78.3	85.5	177.4	-172.9	129.9	-129.7	0	0	111.3	K206 S384 R389	K206-E387 WeakPolarHBondContact CD-OE1 3.31Å; S384-E387 PolarHBondContact O-N 2.93Å; E387-R389 HydrophobicContact CG-CB 4.34Å; E387-R389 PolarHBondContact O-N 2.94Å; E387-R389 IonicContact OE1-CZ 2.71Å; E387-R389 IonicContact OE1-NE 3.83Å; E387-R389 PolarHBondContact OE1-NE 3.03Å; E387-R389 IonicContact OE1-NH2 3.7Å; E387-R389 PolarHBondContact OE1-NH2 3.2Å
388	I	59.8	Low	68.8	Low	142 Å²	142	76.5 Å²	76.5	73%	0.728	40%	0.395	S	S	*	.			trans	-73.9	0.8	178.5	-56.5	155.2	0	0	0	112.1	Q386 Y390	Q386-I388 PolarHBondContact O-N 3.22Å; I388-Y390 VanDerWaalsContact C-N 3.29Å; I388-Y390 PolarHBondContact O-N 3.27Å
389	R	71.1	Confident	69.9	Low	110 Å²	110	73.2 Å²	73.2	42%	0.415	39%	0.385	S	S	.	.			trans	-88.3	62	-170.4	-62.5	-174.3	-65.8	-164.4	-3.1	112.7	K206 D329 F331 E387	K206-R389 VanDerWaalsContact CD-NH2 3.34Å; D329-R389 IonicContact OD2-CZ 3.64Å; D329-R389 VanDerWaalsContact OD2-CZ 3.26Å; D329-R389 IonicContact OD2-NH1 3.88Å; D329-R389 PolarHBondContact OD2-NH1 3.48Å; D329-R389 IonicContact OD2-NH2 3.91Å; F331-R389 HydrophobicContact CE1-CB 4.14Å; E387-R389 HydrophobicContact CG-CB 4.34Å; E387-R389 PolarHBondContact O-N 2.94Å; E387-R389 IonicContact OE1-CZ 2.71Å; E387-R389 IonicContact OE1-NE 3.83Å; E387-R389 PolarHBondContact OE1-NE 3.03Å; E387-R389 IonicContact OE1-NH2 3.7Å; E387-R389 PolarHBondContact OE1-NH2 3.2Å
390	Y	81.2	Confident	71.4	Confident	77 Å²	77	68.2 Å²	68.2	30%	0.302	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.6	169	65.7	-91.5	0	0	0	110.2	L190 F203 L204 V377 I388	L190-Y390 HydrophobicContact CD1-CE2 3.87Å; L190-Y390 HydrophobicContact CG-CE2 4.35Å; F203-Y390 AromaticContact CE2-CD2 3.88Å; F203-Y390 HydrophobicContact CE2-CD2 3.88Å; F203-Y390 HydrophobicContact CE2-CG 4.13Å; F203-Y390 HydrophobicContact CZ-CG 4.37Å; L204-Y390 CarbonylContact O-C 3.49Å; L204-Y390 WeakPolarHBondContact O-CA 3.42Å; L204-Y390 WeakPolarHBondContact O-CB 3.19Å; V377-Y390 HydrophobicContact CG1-CD1 4.39Å; V377-Y390 HydrophobicContact CG1-CE1 3.89Å; I388-Y390 VanDerWaalsContact C-N 3.29Å; I388-Y390 PolarHBondContact O-N 3.27Å
391	S	86	Confident	73.1	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.14	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.4	167.2	173.2	0	0	0	0	108	E186 L204	E186-S391 PolarHBondContact OE1-OG 2.95Å; L204-S391 PolarHBondContact N-O 2.79Å; L204-S391 PolarHBondContact O-N 2.76Å
392	L	90.5	Very high	75.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.9	175.7	179.8	67.6	0	0	0	107.7	V187 L190 M194 F201 F203 F369	V187-L392 HydrophobicContact CB-CB 4.19Å; V187-L392 HydrophobicContact CB-CD2 4Å; V187-L392 HydrophobicContact CB-CG 4.1Å; V187-L392 HydrophobicContact CG1-CD2 4.09Å; V187-L392 HydrophobicContact CG2-CD2 4.27Å; V187-L392 HydrophobicContact CG2-CG 4.26Å; V187-L392 PolarHBondContact N-O 3.49Å; L190-L392 HydrophobicContact CD2-CB 4.49Å; L190-L392 HydrophobicContact CD2-CD2 3.43Å; L190-L392 VanDerWaalsContact CD2-CD2 3.43Å; M194-L392 HydrophobicContact CE-CD2 3.89Å; M194-L392 HydrophobicContact SD-CD2 4.38Å; F201-L392 HydrophobicContact CB-CD1 3.96Å; F201-L392 HydrophobicContact CD1-CD1 4.32Å; F201-L392 HydrophobicContact CD1-CG 4.41Å; F201-L392 HydrophobicContact CG-CD1 4.49Å; F203-L392 HydrophobicContact CB-CD1 4.22Å; F203-L392 HydrophobicContact CD2-CB 4.33Å; F203-L392 HydrophobicContact CD2-CD1 4.03Å; F369-L392 HydrophobicContact CE1-CD1 4.24Å; F369-L392 HydrophobicContact CE1-CD2 4.27Å; F369-L392 HydrophobicContact CZ-CD1 4.03Å
393	M	90.6	Very high	77.8	Confident	44 Å²	44	60.9 Å²	60.9	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.7	178.2	-65.8	172.5	-78.1	0	0	109.9	V184 E185 F201 V202 F333	V184-M393 HydrophobicContact CG1-CB 3.71Å; V184-M393 HydrophobicContact CG1-CG 4.22Å; V184-M393 HydrophobicContact CG1-SD 4.07Å; E185-M393 CarbonylContact O-C 3.53Å; E185-M393 VanDerWaalsContact O-CA 3.24Å; E185-M393 WeakPolarHBondContact O-CA 3.4Å; F201-M393 CarbonylContact C-O 3.58Å; F201-M393 VanDerWaalsContact CA-O 3.23Å; F201-M393 WeakPolarHBondContact CA-O 3.44Å; V202-M393 HydrophobicContact CB-CB 4.4Å; V202-M393 HydrophobicContact CB-CE 4.29Å; V202-M393 HydrophobicContact CG1-CE 3.9Å; V202-M393 PolarHBondContact N-O 2.98Å; V202-M393 PolarHBondContact O-N 3.36Å; F333-M393 HydrophobicContact CD1-CE 4.39Å; F333-M393 HydrophobicContact CE1-CE 3.84Å
394	A	94.4	Very high	80.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.8	173.9	0	0	0	0	0	109.7	V184 E185 V187 A198 F201 I396	V184-A394 WeakPolarHBondContact CA-O 3.3Å; E185-A394 PolarHBondContact N-O 3.28Å; E185-A394 PolarHBondContact O-N 2.92Å; V187-A394 HydrophobicContact CG2-CB 4.31Å; A198-A394 HydrophobicContact CB-CB 4.39Å; F201-A394 HydrophobicContact CD1-CB 3.79Å; F201-A394 HydrophobicContact CE1-CB 3.62Å; A394-I396 HydrophobicContact CB-CG2 3.88Å
395	V	93.6	Very high	82.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.8	168.2	-175.1	0	0	0	0	107	V182 V184 A198 Y199 G200 V202 L252 I255 L256	V182-V395 HydrophobicContact CG1-CG1 3.48Å; V182-V395 VanDerWaalsContact CG1-CG1 3.48Å; V184-V395 HydrophobicContact CG2-CG2 4.48Å; A198-V395 CarbonylContact C-O 3.52Å; A198-V395 WeakPolarHBondContact CA-O 3.47Å; Y199-V395 HydrophobicContact CD2-CG1 4.29Å; Y199-V395 PolarHBondContact N-O 3.37Å; G200-V395 PolarHBondContact O-N 3.2Å; V202-V395 HydrophobicContact CG2-CG2 4.31Å; L252-V395 HydrophobicContact CD2-CG2 3.99Å; I255-V395 HydrophobicContact CD1-CG2 3.71Å; I255-V395 HydrophobicContact CG2-CB 4.15Å; I255-V395 HydrophobicContact CG2-CG1 4.31Å; I255-V395 HydrophobicContact CG2-CG2 4.24Å; L256-V395 HydrophobicContact CD2-CG1 4.26Å
396	I	94	Very high	84.5	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	161.9	-169.5	59	162.1	0	0	0	111.2	V182 A183 E185 N195 A198 A394 C398 P399	V182-I396 WeakPolarHBondContact CA-O 3.36Å; A183-I396 HydrophobicContact CB-CG1 4.24Å; A183-I396 PolarHBondContact N-O 3.4Å; A183-I396 PolarHBondContact O-N 3.48Å; E185-I396 HydrophobicContact CB-CD1 3.99Å; E185-I396 HydrophobicContact CB-CG1 4.45Å; E185-I396 WeakPolarHBondContact OE2-CD1 3.09Å; N195-I396 HydrophobicContact CB-CG2 4.31Å; A198-I396 HydrophobicContact CB-CG2 4.15Å; A394-I396 HydrophobicContact CB-CG2 3.88Å; I396-C398 PolarHBondContact O-N 3.31Å; I396-P399 HydrophobicContact CD1-CG 4.11Å
397	P	91.7	Very high	86.5	Confident	13 Å²	13	47.5 Å²	47.5	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	136.2	162.7	-22.8	29.9	0	0	0	110.5	G181 R197 Y199 P399 E402	G181-P397 CarbonylContact O-C 3.55Å; G181-P397 WeakPolarHBondContact O-CA 3.41Å; R197-P397 HydrophobicContact CB-CG 4.2Å; R197-P397 WeakPolarHBondContact O-CD 3.32Å; Y199-P397 HydrophobicContact CE2-CG 3.94Å; P397-P399 WeakPolarHBondContact O-CD 3.44Å; P397-E402 HydrophobicContact CB-CG 4.5Å; P397-E402 WeakPolarHBondContact CB-OE1 3.45Å
398	C	89.9	Confident	88.1	Confident	26 Å²	26	49.1 Å²	49.1	18%	0.176	23%	0.225	C	C	.	.			trans	-67	114.3	-177.6	179.1	0	0	0	0	110.5	G181 A183 I396 L400 Y401 E402	G181-C398 VanDerWaalsContact C-CB 3.45Å; G181-C398 PolarHBondContact O-N 2.97Å; A183-C398 HydrophobicContact CB-CB 4.15Å; I396-C398 PolarHBondContact O-N 3.31Å; C398-L400 VanDerWaalsContact C-N 3.26Å; C398-L400 PolarHBondContact O-N 3.11Å; C398-Y401 PolarHBondContact O-N 3.15Å; C398-E402 PolarHBondContact O-N 3.42Å
399	P	90.5	Very high	89.6	Confident	43 Å²	43	46.3 Å²	46.3	28%	0.279	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-34.8	-177.3	-23.8	35	0	0	0	112.7	I396 P397 A403 L536	I396-P399 HydrophobicContact CD1-CG 4.11Å; P397-P399 WeakPolarHBondContact O-CD 3.44Å; P399-A403 VanDerWaalsContact O-CB 3.23Å; P399-A403 WeakPolarHBondContact O-CB 3.33Å; P399-A403 PolarHBondContact O-N 3.25Å; P399-L536 HydrophobicContact CB-CD1 4.06Å; P399-L536 HydrophobicContact CB-CD2 4.09Å
400	L	89.1	Confident	90.6	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-47.4	177.5	177.5	58.8	0	0	0	111.1	C398 E402 A403 Q404 V533 L536 Q537 R540	C398-L400 VanDerWaalsContact C-N 3.26Å; C398-L400 PolarHBondContact O-N 3.11Å; L400-E402 PolarHBondContact O-N 2.98Å; L400-A403 PolarHBondContact O-N 3.38Å; L400-Q404 HydrophobicContact CD1-CG 3.99Å; L400-Q404 HydrophobicContact CG-CG 4.48Å; L400-Q404 WeakPolarHBondContact O-CB 3.48Å; L400-Q404 VanDerWaalsContact O-CG 3.27Å; L400-Q404 WeakPolarHBondContact O-CG 3.36Å; L400-Q404 PolarHBondContact O-N 3.08Å; L400-V533 HydrophobicContact CD1-CG1 4.1Å; L400-L536 HydrophobicContact CB-CB 4.11Å; L400-L536 HydrophobicContact CD1-CB 3.87Å; L400-Q537 HydrophobicContact CD1-CG 3.74Å; L400-Q537 HydrophobicContact CD2-CG 4.23Å; L400-R540 HydrophobicContact CD2-CB 4.42Å
401	Y	87.7	Confident	91.2	Very high	83 Å²	83	40.9 Å²	40.9	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-61.1	-45.6	178.7	-177.2	-104.7	0	0	0	111.5	C398 Q404 R405	C398-Y401 PolarHBondContact O-N 3.15Å; Y401-Q404 PolarHBondContact O-N 3.41Å; Y401-R405 WeakPolarHBondContact O-CB 3.47Å; Y401-R405 PolarHBondContact O-N 3.43Å
402	E	90	Very high	91.4	Very high	52 Å²	52	45.1 Å²	45.1	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176.6	-70.4	-175.9	145	0	0	112.4	R197 P397 C398 L400 R405 R406	R197-E402 IonicContact CZ-OE2 2.71Å; R197-E402 VanDerWaalsContact NH1-CD 3.28Å; R197-E402 IonicContact NH1-OE1 3.26Å; R197-E402 PolarHBondContact NH1-OE1 2.98Å; R197-E402 VanDerWaalsContact NH1-OE1 3.12Å; R197-E402 IonicContact NH1-OE2 3.1Å; R197-E402 PolarHBondContact NH1-OE2 2.87Å; R197-E402 IonicContact NH2-OE2 2.84Å; R197-E402 PolarHBondContact NH2-OE2 3.44Å; P397-E402 HydrophobicContact CB-CG 4.5Å; P397-E402 WeakPolarHBondContact CB-OE1 3.45Å; C398-E402 PolarHBondContact O-N 3.42Å; L400-E402 PolarHBondContact O-N 2.98Å; E402-R405 PolarHBondContact O-N 3.07Å; E402-R406 WeakPolarHBondContact O-CB 3.38Å; E402-R406 PolarHBondContact O-N 3.49Å
403	A	92.2	Very high	91.3	Very high	11 Å²	11	46.4 Å²	46.4	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-42.6	179.4	0	0	0	0	0	111.7	P399 L400 R406 L407 V533 L536	P399-A403 VanDerWaalsContact O-CB 3.23Å; P399-A403 WeakPolarHBondContact O-CB 3.33Å; P399-A403 PolarHBondContact O-N 3.25Å; L400-A403 PolarHBondContact O-N 3.38Å; A403-R406 PolarHBondContact O-N 3.32Å; A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.45Å; A403-L407 PolarHBondContact O-N 2.95Å; A403-V533 HydrophobicContact CB-CG2 3.71Å; A403-L536 HydrophobicContact CB-CD1 4.24Å
404	Q	91.4	Very high	91.3	Very high	72 Å²	72	45.4 Å²	45.4	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-43.8	175.6	-74	177.4	-39.5	0	0	112.1	L400 Y401 L407 K408 V533	L400-Q404 HydrophobicContact CD1-CG 3.99Å; L400-Q404 HydrophobicContact CG-CG 4.48Å; L400-Q404 WeakPolarHBondContact O-CB 3.48Å; L400-Q404 VanDerWaalsContact O-CG 3.27Å; L400-Q404 WeakPolarHBondContact O-CG 3.36Å; L400-Q404 PolarHBondContact O-N 3.08Å; Y401-Q404 PolarHBondContact O-N 3.41Å; Q404-L407 PolarHBondContact O-N 3.02Å; Q404-K408 PolarHBondContact O-N 2.96Å; Q404-V533 HydrophobicContact CG-CG1 3.99Å; Q404-V533 HydrophobicContact CG-CG2 4.12Å
405	R	90.2	Very high	91.1	Very high	131 Å²	131	51 Å²	51	49%	0.494	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-48	176.7	-166.5	-174	78.3	-150.6	-4.8	111.2	Y401 E402 L407 K408 E409	Y401-R405 WeakPolarHBondContact O-CB 3.47Å; Y401-R405 PolarHBondContact O-N 3.43Å; E402-R405 PolarHBondContact O-N 3.07Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 2.9Å; R405-K408 PolarHBondContact O-N 3.44Å; R405-E409 WeakPolarHBondContact CG-OE1 3.21Å; R405-E409 IonicContact NE-OE1 3.75Å; R405-E409 PolarHBondContact NE-OE1 3.27Å; R405-E409 VanDerWaalsContact NE-OE1 3.11Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 2.85Å
406	R	91.4	Very high	90.9	Very high	73 Å²	73	52.6 Å²	52.6	28%	0.275	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-38.7	178.1	-175.3	176.7	172.4	145.8	-2.2	112.2	E402 A403 E409 L410 E525 L529	E402-R406 WeakPolarHBondContact O-CB 3.38Å; E402-R406 PolarHBondContact O-N 3.49Å; A403-R406 PolarHBondContact O-N 3.32Å; R406-E409 PolarHBondContact O-N 3.39Å; R406-L410 HydrophobicContact CG-CD1 4.08Å; R406-L410 WeakPolarHBondContact O-CB 3.48Å; R406-L410 WeakPolarHBondContact O-CG 3.29Å; R406-L410 PolarHBondContact O-N 2.92Å; R406-E525 IonicContact CZ-OE1 3.33Å; R406-E525 VanDerWaalsContact CZ-OE1 3.27Å; R406-E525 IonicContact NE-OE1 2.64Å; R406-E525 PolarHBondContact NE-OE1 3.12Å; R406-E525 IonicContact NH2-OE1 2.64Å; R406-E525 PolarHBondContact NH2-OE1 3.13Å; R406-L529 HydrophobicContact CB-CD1 4.33Å; R406-L529 HydrophobicContact CG-CD1 3.76Å
407	L	93.8	Very high	90.6	Very high	22 Å²	22	53 Å²	53	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-49.2	175.1	177.4	62	0	0	0	110.6	A403 Q404 R405 L410 E411 I526 L529 R530 V533	A403-L407 VanDerWaalsContact O-CB 3.28Å; A403-L407 WeakPolarHBondContact O-CB 3.45Å; A403-L407 PolarHBondContact O-N 2.95Å; Q404-L407 PolarHBondContact O-N 3.02Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-L407 PolarHBondContact O-N 2.9Å; L407-L410 PolarHBondContact O-N 2.99Å; L407-E411 HydrophobicContact CD1-CG 4.29Å; L407-E411 WeakPolarHBondContact O-CG 3.33Å; L407-E411 PolarHBondContact O-N 2.68Å; L407-I526 HydrophobicContact CD1-CB 4.32Å; L407-I526 HydrophobicContact CD1-CG1 4.31Å; L407-I526 HydrophobicContact CD1-CG2 3.86Å; L407-L529 HydrophobicContact CB-CB 4.45Å; L407-L529 HydrophobicContact CD1-CB 4.17Å; L407-R530 HydrophobicContact CD1-CG 3.86Å; L407-R530 HydrophobicContact CD2-CG 3.98Å; L407-V533 HydrophobicContact CD2-CG2 4.42Å
408	K	91.8	Very high	90.4	Very high	98 Å²	98	58 Å²	58	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-48.8	177.4	-176.6	-179	175.8	-177.4	0	112.4	Q404 R405 L410 E411 E412	Q404-K408 PolarHBondContact O-N 2.96Å; R405-K408 PolarHBondContact O-N 3.44Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 2.92Å; K408-E411 PolarHBondContact O-N 3.35Å; K408-E412 WeakPolarHBondContact CE-OE1 3.17Å; K408-E412 WeakPolarHBondContact O-CG 3.41Å; K408-E412 PolarHBondContact O-N 3.26Å
409	E	90.8	Very high	90.3	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-57.2	-42.3	177.9	-72.6	167.5	-170.7	0	0	111.7	R405 R406 K413	R405-E409 WeakPolarHBondContact CG-OE1 3.21Å; R405-E409 IonicContact NE-OE1 3.75Å; R405-E409 PolarHBondContact NE-OE1 3.27Å; R405-E409 VanDerWaalsContact NE-OE1 3.11Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 2.85Å; R406-E409 PolarHBondContact O-N 3.39Å; E409-K413 WeakPolarHBondContact O-CB 3.36Å; E409-K413 PolarHBondContact O-N 3.47Å
410	L	91.8	Very high	90	Very high	2 Å²	2	62 Å²	62	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-36.8	178.4	-76.5	171.7	0	0	0	113.1	R406 L407 K408 K413 L414 L497 E525 I526 L529	R406-L410 HydrophobicContact CG-CD1 4.08Å; R406-L410 WeakPolarHBondContact O-CB 3.48Å; R406-L410 WeakPolarHBondContact O-CG 3.29Å; R406-L410 PolarHBondContact O-N 2.92Å; L407-L410 PolarHBondContact O-N 2.99Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 2.92Å; L410-K413 PolarHBondContact O-N 3.07Å; L410-L414 VanDerWaalsContact O-CB 3.22Å; L410-L414 WeakPolarHBondContact O-CB 3.32Å; L410-L414 PolarHBondContact O-N 3.11Å; L410-L497 HydrophobicContact CD2-CB 3.85Å; L410-L497 HydrophobicContact CD2-CD1 4.29Å; L410-L497 HydrophobicContact CD2-CG 4.5Å; L410-E525 HydrophobicContact CD1-CB 4.3Å; L410-E525 HydrophobicContact CD1-CG 3.48Å; L410-E525 VanDerWaalsContact CD1-CG 3.48Å; L410-I526 HydrophobicContact CB-CD1 4.21Å; L410-I526 HydrophobicContact CB-CG1 3.88Å; L410-L529 HydrophobicContact CD1-CD1 3.49Å; L410-L529 VanDerWaalsContact CD1-CD1 3.49Å
411	E	93.5	Very high	89.8	Confident	72 Å²	72	62.2 Å²	62.2	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-43	174.7	-75.6	177.1	157.5	0	0	111.2	L407 K408 L414 Q415 I526 R530	L407-E411 HydrophobicContact CD1-CG 4.29Å; L407-E411 WeakPolarHBondContact O-CG 3.33Å; L407-E411 PolarHBondContact O-N 2.68Å; K408-E411 PolarHBondContact O-N 3.35Å; E411-L414 PolarHBondContact O-N 2.81Å; E411-Q415 PolarHBondContact O-N 3.32Å; E411-I526 HydrophobicContact CG-CD1 3.97Å; E411-I526 HydrophobicContact CG-CG1 4.29Å; E411-I526 HydrophobicContact CG-CG2 4.44Å; E411-R530 IonicContact OE1-CZ 3.88Å; E411-R530 IonicContact OE1-NE 2.68Å; E411-R530 PolarHBondContact OE1-NE 2.71Å; E411-R530 IonicContact OE1-NH2 2.73Å; E411-R530 PolarHBondContact OE1-NH2 2.95Å
412	E	90.7	Very high	89.6	Confident	108 Å²	108	64.8 Å²	64.8	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-45.2	173.5	-70.8	174	-174.8	0	0	111.6	K408 L414 Q415 L416	K408-E412 WeakPolarHBondContact CE-OE1 3.17Å; K408-E412 WeakPolarHBondContact O-CG 3.41Å; K408-E412 PolarHBondContact O-N 3.26Å; E412-L414 PolarHBondContact O-N 3.48Å; E412-Q415 WeakPolarHBondContact O-CB 3.38Å; E412-Q415 PolarHBondContact O-N 3.48Å; E412-L416 PolarHBondContact O-N 2.84Å
413	K	88.8	Confident	89.4	Confident	28 Å²	28	64 Å²	64	12%	0.122	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-40.7	176.9	-167.3	75.5	172	-158	0	112	E409 L410 Q415 L416 L417 L497 T499 V501	E409-K413 WeakPolarHBondContact O-CB 3.36Å; E409-K413 PolarHBondContact O-N 3.47Å; L410-K413 PolarHBondContact O-N 3.07Å; K413-Q415 VanDerWaalsContact C-N 3.31Å; K413-Q415 PolarHBondContact O-N 3.38Å; K413-L416 PolarHBondContact O-N 3.18Å; K413-L417 HydrophobicContact CG-CD1 4.47Å; K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 3.45Å; K413-L497 HydrophobicContact CG-CD2 3.9Å; K413-T499 PolarHBondContact NZ-O 3.34Å; K413-V501 HydrophobicContact CD-CG2 3.83Å
414	L	90.5	Very high	88.8	Confident	22 Å²	22	64.2 Å²	64.2	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.1	175.6	63.6	0	0	0	110.8	L410 E411 E412 L417 R418 I519 A522 Q523 I526	L410-L414 VanDerWaalsContact O-CB 3.22Å; L410-L414 WeakPolarHBondContact O-CB 3.32Å; L410-L414 PolarHBondContact O-N 3.11Å; E411-L414 PolarHBondContact O-N 2.81Å; E412-L414 PolarHBondContact O-N 3.48Å; L414-L417 PolarHBondContact O-N 3.44Å; L414-R418 HydrophobicContact CD1-CG 4.46Å; L414-R418 WeakPolarHBondContact O-CB 3.49Å; L414-R418 VanDerWaalsContact O-CG 3.31Å; L414-R418 WeakPolarHBondContact O-CG 3.29Å; L414-R418 PolarHBondContact O-N 3.36Å; L414-I519 HydrophobicContact CD1-CB 4.28Å; L414-I519 HydrophobicContact CD1-CG1 4.25Å; L414-I519 HydrophobicContact CD1-CG2 3.85Å; L414-A522 HydrophobicContact CB-CB 4.47Å; L414-A522 HydrophobicContact CD1-CB 4.18Å; L414-Q523 HydrophobicContact CD1-CG 4.13Å; L414-Q523 HydrophobicContact CD2-CG 4.04Å; L414-I526 HydrophobicContact CB-CD1 4.11Å; L414-I526 HydrophobicContact CD2-CD1 3.61Å; L414-I526 HydrophobicContact CG-CD1 4.46Å
415	Q	90.4	Very high	88.1	Confident	117 Å²	117	61.8 Å²	61.8	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.4	-170.5	-179.5	12.1	0	0	111.4	E411 E412 K413 R418 Q419	E411-Q415 PolarHBondContact O-N 3.32Å; E412-Q415 WeakPolarHBondContact O-CB 3.38Å; E412-Q415 PolarHBondContact O-N 3.48Å; K413-Q415 VanDerWaalsContact C-N 3.31Å; K413-Q415 PolarHBondContact O-N 3.38Å; Q415-R418 PolarHBondContact O-N 3.05Å; Q415-Q419 WeakPolarHBondContact O-CG 3.31Å; Q415-Q419 PolarHBondContact O-N 2.91Å
416	L	89.2	Confident	87.6	Confident	35 Å²	35	58.1 Å²	58.1	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-48.7	176.5	-176.1	72.9	0	0	0	112	E412 K413 R418 Q419 E420 V501	E412-L416 PolarHBondContact O-N 2.84Å; K413-L416 PolarHBondContact O-N 3.18Å; L416-R418 VanDerWaalsContact C-N 3.27Å; L416-R418 PolarHBondContact O-N 3.23Å; L416-Q419 WeakPolarHBondContact O-CB 3.39Å; L416-Q419 PolarHBondContact O-N 2.59Å; L416-Q419 VanDerWaalsContact O-N 3.11Å; L416-E420 WeakPolarHBondContact O-CG 3.29Å; L416-E420 PolarHBondContact O-N 2.8Å; L416-V501 HydrophobicContact CD2-CB 4.26Å; L416-V501 HydrophobicContact CD2-CG1 3.58Å; L416-V501 HydrophobicContact CD2-CG2 3.58Å
417	L	86.7	Confident	86.9	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-37.8	179.1	-72.2	172.6	0	0	0	112	K413 L414 E420 L421 L497 T515 L518 I519	K413-L417 HydrophobicContact CG-CD1 4.47Å; K413-L417 WeakPolarHBondContact O-CG 3.27Å; K413-L417 PolarHBondContact O-N 3.45Å; L414-L417 PolarHBondContact O-N 3.44Å; L417-E420 PolarHBondContact O-N 3.4Å; L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 PolarHBondContact O-N 2.98Å; L417-L497 HydrophobicContact CD1-CD2 3.6Å; L417-T515 HydrophobicContact CB-CG2 4.43Å; L417-T515 HydrophobicContact CD2-CG2 4.27Å; L417-L518 HydrophobicContact CD1-CB 3.98Å; L417-L518 HydrophobicContact CD2-CD1 4.44Å; L417-I519 HydrophobicContact CB-CD1 4.23Å; L417-I519 HydrophobicContact CB-CG1 3.77Å; L417-I519 HydrophobicContact CD1-CG1 4.38Å
418	R	87.8	Confident	85.8	Confident	120 Å²	120	64.2 Å²	64.2	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-44.4	174.1	-75.6	173.2	175	-111.7	-0.5	111.6	L414 Q415 L416 L421 E422 I519	L414-R418 HydrophobicContact CD1-CG 4.46Å; L414-R418 WeakPolarHBondContact O-CB 3.49Å; L414-R418 VanDerWaalsContact O-CG 3.31Å; L414-R418 WeakPolarHBondContact O-CG 3.29Å; L414-R418 PolarHBondContact O-N 3.36Å; Q415-R418 PolarHBondContact O-N 3.05Å; L416-R418 VanDerWaalsContact C-N 3.27Å; L416-R418 PolarHBondContact O-N 3.23Å; R418-L421 PolarHBondContact O-N 3.29Å; R418-E422 PolarHBondContact O-N 3.22Å; R418-I519 HydrophobicContact CG-CD1 4.17Å
419	Q	87.4	Confident	84.5	Confident	101 Å²	101	62.2 Å²	62.2	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-40.6	176.2	-71	173.7	8.1	0	0	112.3	Q415 L416 E422 A423	Q415-Q419 WeakPolarHBondContact O-CG 3.31Å; Q415-Q419 PolarHBondContact O-N 2.91Å; L416-Q419 WeakPolarHBondContact O-CB 3.39Å; L416-Q419 PolarHBondContact O-N 2.59Å; L416-Q419 VanDerWaalsContact O-N 3.11Å; Q419-E422 PolarHBondContact O-N 3.29Å; Q419-A423 VanDerWaalsContact O-CB 3.3Å; Q419-A423 WeakPolarHBondContact O-CB 3.47Å; Q419-A423 PolarHBondContact O-N 3.45Å
420	E	85.2	Confident	83	Confident	50 Å²	50	60.9 Å²	60.9	23%	0.234	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-42.8	175.4	-72.3	179.1	177	0	0	111.6	L416 L417 A423 E424 H504 I510	L416-E420 WeakPolarHBondContact O-CG 3.29Å; L416-E420 PolarHBondContact O-N 2.8Å; L417-E420 PolarHBondContact O-N 3.4Å; E420-A423 PolarHBondContact O-N 2.68Å; E420-E424 PolarHBondContact O-N 3.33Å; E420-H504 IonicContact OE1-CE1 3.88Å; E420-H504 IonicContact OE1-NE2 3.73Å; E420-I510 HydrophobicContact CB-CD1 4.17Å; E420-I510 WeakPolarHBondContact O-CD1 3.38Å
421	L	84.2	Confident	81.2	Confident	17 Å²	17	70.5 Å²	70.5	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-45.6	175.6	-177.7	62.4	0	0	0	111.9	L417 R418 E424 T425 L447 I512 T515 V516 I519	L417-L421 WeakPolarHBondContact O-CB 3.3Å; L417-L421 PolarHBondContact O-N 2.98Å; R418-L421 PolarHBondContact O-N 3.29Å; L421-E424 PolarHBondContact O-N 3.12Å; L421-T425 HydrophobicContact CD1-CG2 4.06Å; L421-T425 HydrophobicContact CG-CG2 4.39Å; L421-T425 WeakPolarHBondContact O-CB 3.04Å; L421-T425 WeakPolarHBondContact O-CG2 3.34Å; L421-T425 PolarHBondContact O-N 2.99Å; L421-T425 PolarHBondContact O-OG1 2.64Å; L421-L447 HydrophobicContact CD1-CD2 4.37Å; L421-I512 HydrophobicContact CD1-CB 4.36Å; L421-I512 HydrophobicContact CD1-CG1 4.17Å; L421-I512 HydrophobicContact CD1-CG2 3.91Å; L421-T515 HydrophobicContact CB-CG2 4.06Å; L421-V516 HydrophobicContact CD1-CG2 4.11Å; L421-V516 HydrophobicContact CD2-CG2 3.71Å; L421-I519 HydrophobicContact CB-CD1 4.39Å; L421-I519 HydrophobicContact CD2-CD1 3.73Å
422	E	84.3	Confident	79.2	Confident	136 Å²	136	72.2 Å²	72.2	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-60.4	-44.4	173.9	-91.7	-174.3	149.4	0	0	111.8	R418 Q419 E424 T425 A426	R418-E422 PolarHBondContact O-N 3.22Å; Q419-E422 PolarHBondContact O-N 3.29Å; E422-E424 PolarHBondContact O-N 3.5Å; E422-T425 WeakPolarHBondContact CA-OG1 3.47Å; E422-T425 PolarHBondContact O-N 3.33Å; E422-T425 PolarHBondContact O-OG1 2.86Å; E422-A426 WeakPolarHBondContact O-CB 3.31Å; E422-A426 PolarHBondContact O-N 2.85Å
423	A	84.5	Confident	76.9	Confident	36 Å²	36	79.1 Å²	79.1	30%	0.298	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-42	178.5	0	0	0	0	0	112	Q419 E420 R427	Q419-A423 VanDerWaalsContact O-CB 3.3Å; Q419-A423 WeakPolarHBondContact O-CB 3.47Å; Q419-A423 PolarHBondContact O-N 3.45Å; E420-A423 PolarHBondContact O-N 2.68Å; A423-R427 WeakPolarHBondContact O-CG 3.24Å; A423-R427 PolarHBondContact O-N 3.1Å
424	E	80.1	Confident	75.1	Confident	16 Å²	16	83.6 Å²	83.6	8%	0.075	42%	0.417	C	S	.	.	H	α-helix	trans	-70	-41.1	177.6	-168.8	64.4	-163.6	0	0	112.4	E420 L421 E422 A426 R427 L428 I510 I512	E420-E424 PolarHBondContact O-N 3.33Å; L421-E424 PolarHBondContact O-N 3.12Å; E422-E424 PolarHBondContact O-N 3.5Å; E424-A426 VanDerWaalsContact C-N 3.35Å; E424-R427 WeakPolarHBondContact O-CB 3.38Å; E424-R427 PolarHBondContact O-N 2.85Å; E424-R427 VanDerWaalsContact O-N 3.17Å; E424-R427 IonicContact OE2-CZ 3.05Å; E424-R427 IonicContact OE2-NE 2.84Å; E424-R427 PolarHBondContact OE2-NE 3.47Å; E424-R427 IonicContact OE2-NH2 2.59Å; E424-R427 PolarHBondContact OE2-NH2 3.36Å; E424-L428 WeakPolarHBondContact O-CG 3.22Å; E424-L428 PolarHBondContact O-N 3.5Å; E424-L428 VanDerWaalsContact O-N 3.09Å; E424-I510 HydrophobicContact CB-CD1 3.71Å; E424-I510 HydrophobicContact CB-CG1 3.65Å; E424-I510 HydrophobicContact CG-CD1 4.27Å; E424-I510 HydrophobicContact CG-CG1 3.7Å; E424-I512 HydrophobicContact CG-CD1 4.23Å; E424-I512 HydrophobicContact CG-CG1 4.15Å
425	T	76.6	Confident	73.2	Confident	21 Å²	21	87.6 Å²	87.6	13%	0.129	45%	0.446	C	S	.	.	H	α-helix	trans	-68.2	-35.8	177.6	55.2	0	0	0	0	111.6	L421 E422 R427 L428 T429 L443 L447 I512	L421-T425 HydrophobicContact CD1-CG2 4.06Å; L421-T425 HydrophobicContact CG-CG2 4.39Å; L421-T425 WeakPolarHBondContact O-CB 3.04Å; L421-T425 WeakPolarHBondContact O-CG2 3.34Å; L421-T425 PolarHBondContact O-N 2.99Å; L421-T425 PolarHBondContact O-OG1 2.64Å; E422-T425 WeakPolarHBondContact CA-OG1 3.47Å; E422-T425 PolarHBondContact O-N 3.33Å; E422-T425 PolarHBondContact O-OG1 2.86Å; T425-R427 VanDerWaalsContact C-N 3.34Å; T425-L428 PolarHBondContact O-N 3.28Å; T425-T429 WeakPolarHBondContact O-CG2 3.1Å; T425-T429 PolarHBondContact O-N 2.99Å; T425-T429 VanDerWaalsContact O-N 3.09Å; T425-T429 PolarHBondContact O-OG1 3.32Å; T425-L443 HydrophobicContact CG2-CD2 4.48Å; T425-L447 HydrophobicContact CG2-CD1 3.62Å; T425-L447 HydrophobicContact CG2-CD2 4.11Å; T425-L447 HydrophobicContact CG2-CG 4.42Å; T425-I512 HydrophobicContact CG2-CD1 4.25Å
426	A	79.6	Confident	71.3	Confident	54 Å²	54	83.4 Å²	83.4	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-34.9	170.1	0	0	0	0	0	112.6	E422 E424 L428 T429	E422-A426 WeakPolarHBondContact O-CB 3.31Å; E422-A426 PolarHBondContact O-N 2.85Å; E424-A426 VanDerWaalsContact C-N 3.35Å; A426-L428 VanDerWaalsContact C-N 3.34Å; A426-T429 WeakPolarHBondContact CA-OG1 3.4Å; A426-T429 PolarHBondContact O-N 3.46Å; A426-T429 PolarHBondContact O-OG1 2.87Å
427	R	77.2	Confident	69.5	Low	136 Å²	136	84.4 Å²	84.4	51%	0.513	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-34.5	173.2	-77.9	-171.4	-77.8	-131.9	-0.8	112.7	A423 E424 T425	A423-R427 WeakPolarHBondContact O-CG 3.24Å; A423-R427 PolarHBondContact O-N 3.1Å; E424-R427 WeakPolarHBondContact O-CB 3.38Å; E424-R427 PolarHBondContact O-N 2.85Å; E424-R427 VanDerWaalsContact O-N 3.17Å; E424-R427 IonicContact OE2-CZ 3.05Å; E424-R427 IonicContact OE2-NE 2.84Å; E424-R427 PolarHBondContact OE2-NE 3.47Å; E424-R427 IonicContact OE2-NH2 2.59Å; E424-R427 PolarHBondContact OE2-NH2 3.36Å; T425-R427 VanDerWaalsContact C-N 3.34Å
428	L	71.2	Confident	67.9	Low	86 Å²	86	88.2 Å²	88.2	45%	0.45	47%	0.47	S	S	.	.	H	α-helix	trans	-84.1	-13	-179.6	-66.8	172.6	0	0	0	113.8	E424 T425 A426 P430 L443 I512	E424-L428 WeakPolarHBondContact O-CG 3.22Å; E424-L428 PolarHBondContact O-N 3.5Å; E424-L428 VanDerWaalsContact O-N 3.09Å; T425-L428 PolarHBondContact O-N 3.28Å; A426-L428 VanDerWaalsContact C-N 3.34Å; L428-P430 VanDerWaalsContact O-CD 3.26Å; L428-P430 WeakPolarHBondContact O-CD 3.5Å; L428-L443 HydrophobicContact CB-CD2 3.98Å; L428-I512 HydrophobicContact CD1-CD1 3.44Å; L428-I512 VanDerWaalsContact CD1-CD1 3.44Å
429	T	65.2	Low	66.2	Low	56 Å²	56	87.4 Å²	87.4	34%	0.344	47%	0.474	S	S	.	.	S	Bend	trans	-87.1	111.9	175.1	45.4	0	0	0	0	110.3	T425 A426 K431 L443	T425-T429 WeakPolarHBondContact O-CG2 3.1Å; T425-T429 PolarHBondContact O-N 2.99Å; T425-T429 VanDerWaalsContact O-N 3.09Å; T425-T429 PolarHBondContact O-OG1 3.32Å; A426-T429 WeakPolarHBondContact CA-OG1 3.4Å; A426-T429 PolarHBondContact O-N 3.46Å; A426-T429 PolarHBondContact O-OG1 2.87Å; T429-K431 PolarHBondContact O-N 3.39Å; T429-L443 HydrophobicContact CG2-CD2 4.12Å
430	P	57.6	Low	64.8	Low	54 Å²	54	85 Å²	85	35%	0.351	47%	0.468	S	S	.	.			trans	-70.6	129.1	-177.3	25.9	-34.3	0	0	0	111.9	L428 T432 T436	L428-P430 VanDerWaalsContact O-CD 3.26Å; L428-P430 WeakPolarHBondContact O-CD 3.5Å; P430-T432 VanDerWaalsContact C-N 3.29Å; P430-T432 PolarHBondContact O-N 2.93Å; P430-T436 HydrophobicContact CB-CG2 3.85Å; P430-T436 HydrophobicContact CG-CG2 3.38Å
431	K	55.2	Low	63.7	Low	205 Å²	205	89.2 Å²	89.2	89%	0.891	49%	0.485	S	S	*	.			trans	-78.2	7.1	-175.2	-68.4	-174.3	176.9	-179.1	0	115.7	T429	T429-K431 PolarHBondContact O-N 3.39Å
432	T	50.4	Low	62.5	Low	108 Å²	108	89.8 Å²	89.8	66%	0.663	50%	0.496	S	S	*	.	S	Bend	trans	-126.2	137.9	-171.7	50.8	0	0	0	0	113.9	P430 T436	P430-T432 VanDerWaalsContact C-N 3.29Å; P430-T432 PolarHBondContact O-N 2.93Å; T432-T436 PolarHBondContact O-OG1 3.43Å
433	R	42.4	Very low	61.6	Low	252 Å²	252	84.7 Å²	84.7	95%	0.951	47%	0.472	S	S	*	.	S	Bend	trans	-61.1	135.6	-167.5	-69.2	160.7	75.9	175.8	2.2	113.6
434	S	52.4	Low	60.6	Low	123 Å²	123	84.3 Å²	84.3	86%	0.86	47%	0.472	S	S	*	.	S	Bend	trans	110.6	-20.8	146.9	-151.3	0	0	0	0	120.8
435	S	49.7	Very low	60	Low	105 Å²	105	91.7 Å²	91.7	73%	0.734	50%	0.5	S	S	*	.	S	Bend	trans	-120.7	-3.7	176.6	68.9	0	0	0	0	115.1
436	T	51.2	Low	59.5	Low	30 Å²	30	94.7 Å²	94.7	18%	0.184	51%	0.511	C	S	.	.			trans	-109.3	-2	-164	53.7	0	0	0	0	114.8	P430 T432 S438 I439 S440	P430-T436 HydrophobicContact CB-CG2 3.85Å; P430-T436 HydrophobicContact CG-CG2 3.38Å; T432-T436 PolarHBondContact O-OG1 3.43Å; T436-S438 PolarHBondContact O-N 3.31Å; T436-S438 VanDerWaalsContact O-N 3.14Å; T436-I439 PolarHBondContact O-N 2.74Å; T436-S440 PolarHBondContact O-N 2.79Å
437	A	50.2	Low	58.9	Low	55 Å²	55	93.3 Å²	93.3	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-57.6	-28.6	177.6	0	0	0	0	0	112.8	S440 K441	A437-S440 PolarHBondContact O-OG 3.4Å; A437-K441 VanDerWaalsContact O-CB 3.23Å; A437-K441 WeakPolarHBondContact O-CB 3.19Å; A437-K441 WeakPolarHBondContact O-CD 3.48Å; A437-K441 WeakPolarHBondContact O-CG 3.49Å; A437-K441 PolarHBondContact O-N 3.22Å; A437-K441 VanDerWaalsContact O-N 3.09Å
438	S	53.5	Low	58.4	Low	92 Å²	92	91.7 Å²	91.7	64%	0.643	50%	0.497	S	S	*	.	H	α-helix	trans	-70.3	-33.2	175.4	-61.1	0	0	0	0	112.7	T436 G442	T436-S438 PolarHBondContact O-N 3.31Å; T436-S438 VanDerWaalsContact O-N 3.14Å; S438-G442 PolarHBondContact O-N 2.99Å
439	I	52.8	Low	58.3	Low	103 Å²	103	93.3 Å²	93.3	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-75.9	-45.6	-180	-59.9	174.3	0	0	0	110	T436 G442 L443	T436-I439 PolarHBondContact O-N 2.74Å; I439-G442 WeakPolarHBondContact O-CA 3.28Å; I439-G442 PolarHBondContact O-N 3.41Å; I439-G442 VanDerWaalsContact O-N 3.1Å; I439-L443 PolarHBondContact O-N 2.94Å
440	S	57.1	Low	58.2	Low	50 Å²	50	91 Å²	91	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.5	60.2	0	0	0	0	112.1	T436 A437 G442 L443 G444	T436-S440 PolarHBondContact O-N 2.79Å; A437-S440 PolarHBondContact O-OG 3.4Å; S440-G442 VanDerWaalsContact C-N 3.27Å; S440-G442 PolarHBondContact O-N 3.36Å; S440-L443 PolarHBondContact O-N 3.18Å; S440-G444 PolarHBondContact O-N 3.01Å
441	K	61.7	Low	58.5	Low	138 Å²	138	94 Å²	94	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-30	171.2	-72.7	176.8	-178.2	-175.8	0	112.9	A437 R445	A437-K441 VanDerWaalsContact O-CB 3.23Å; A437-K441 WeakPolarHBondContact O-CB 3.19Å; A437-K441 WeakPolarHBondContact O-CD 3.48Å; A437-K441 WeakPolarHBondContact O-CG 3.49Å; A437-K441 PolarHBondContact O-N 3.22Å; A437-K441 VanDerWaalsContact O-N 3.09Å; K441-R445 WeakPolarHBondContact O-CB 3.11Å; K441-R445 VanDerWaalsContact O-CG 3.29Å; K441-R445 WeakPolarHBondContact O-CG 3.41Å; K441-R445 PolarHBondContact O-N 3.24Å; K441-R445 VanDerWaalsContact O-N 3.16Å; K441-R445 PolarHBondContact O-NE 2.75Å; K441-R445 VanDerWaalsContact O-NE 3.08Å
442	G	60.2	Low	59	Low	30 Å²	30	88.6 Å²	88.6	31%	0.309	48%	0.484	S	S	.	.	H	α-helix	trans	-70.8	-46.8	175.2	0	0	0	0	0	111.8	S438 I439 S440 R445 F446	S438-G442 PolarHBondContact O-N 2.99Å; I439-G442 WeakPolarHBondContact O-CA 3.28Å; I439-G442 PolarHBondContact O-N 3.41Å; I439-G442 VanDerWaalsContact O-N 3.1Å; S440-G442 VanDerWaalsContact C-N 3.27Å; S440-G442 PolarHBondContact O-N 3.36Å; G442-R445 PolarHBondContact O-N 3.07Å; G442-F446 WeakPolarHBondContact O-CB 3.35Å; G442-F446 PolarHBondContact O-N 2.97Å
443	L	63.9	Low	59.5	Low	28 Å²	28	83.9 Å²	83.9	15%	0.147	46%	0.455	C	S	.	.	H	α-helix	trans	-64.6	-44.7	176.9	-174	65.5	0	0	0	111.5	T425 L428 T429 I439 S440 R445 F446 L447 I512	T425-L443 HydrophobicContact CG2-CD2 4.48Å; L428-L443 HydrophobicContact CB-CD2 3.98Å; T429-L443 HydrophobicContact CG2-CD2 4.12Å; I439-L443 PolarHBondContact O-N 2.94Å; S440-L443 PolarHBondContact O-N 3.18Å; L443-R445 PolarHBondContact O-N 3.42Å; L443-F446 WeakPolarHBondContact O-CB 3.3Å; L443-F446 PolarHBondContact O-N 2.96Å; L443-F446 VanDerWaalsContact O-N 3.16Å; L443-L447 HydrophobicContact CG-CD1 4.34Å; L443-L447 WeakPolarHBondContact O-CG 3.17Å; L443-L447 PolarHBondContact O-N 3.26Å; L443-I512 HydrophobicContact CD1-CD1 4.48Å
444	G	64.6	Low	60.1	Low	29 Å²	29	75.9 Å²	75.9	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-61.3	-43.8	175.4	0	0	0	0	0	112.7	S440 F446 L447 N448	S440-G444 PolarHBondContact O-N 3.01Å; G444-F446 VanDerWaalsContact C-N 3.3Å; G444-F446 PolarHBondContact O-N 3.03Å; G444-L447 PolarHBondContact O-N 3.43Å; G444-N448 WeakPolarHBondContact O-CB 3.28Å; G444-N448 PolarHBondContact O-N 3.17Å; G444-N448 PolarHBondContact O-OD1 3.36Å
445	R	68	Low	60.2	Low	171 Å²	171	73.8 Å²	73.8	65%	0.645	42%	0.42	S	S	*	.	H	α-helix	trans	-62.6	-36.7	173.1	-80.7	-176.3	-79.9	177.1	-5.5	112.6	K441 G442 L443 F449	K441-R445 WeakPolarHBondContact O-CB 3.11Å; K441-R445 VanDerWaalsContact O-CG 3.29Å; K441-R445 WeakPolarHBondContact O-CG 3.41Å; K441-R445 PolarHBondContact O-N 3.24Å; K441-R445 VanDerWaalsContact O-N 3.16Å; K441-R445 PolarHBondContact O-NE 2.75Å; K441-R445 VanDerWaalsContact O-NE 3.08Å; G442-R445 PolarHBondContact O-N 3.07Å; L443-R445 PolarHBondContact O-N 3.42Å; R445-F449 VanDerWaalsContact O-CB 3.23Å; R445-F449 WeakPolarHBondContact O-CB 3.35Å; R445-F449 PolarHBondContact O-N 2.87Å
446	F	65.6	Low	60.4	Low	84 Å²	84	71.9 Å²	71.9	37%	0.368	41%	0.405	S	S	.	.	H	α-helix	trans	-68.5	-45.1	177.5	179.7	-110.9	0	0	0	111.9	G442 L443 G444 F449 L450 I512 P513	G442-F446 WeakPolarHBondContact O-CB 3.35Å; G442-F446 PolarHBondContact O-N 2.97Å; L443-F446 WeakPolarHBondContact O-CB 3.3Å; L443-F446 PolarHBondContact O-N 2.96Å; L443-F446 VanDerWaalsContact O-N 3.16Å; G444-F446 VanDerWaalsContact C-N 3.3Å; G444-F446 PolarHBondContact O-N 3.03Å; F446-F449 WeakPolarHBondContact O-CB 3.32Å; F446-F449 PolarHBondContact O-N 3.29Å; F446-L450 HydrophobicContact CD1-CD1 3.92Å; F446-L450 HydrophobicContact CD1-CG 4.44Å; F446-L450 HydrophobicContact CE1-CD1 3.41Å; F446-L450 VanDerWaalsContact CE1-CD1 3.41Å; F446-L450 HydrophobicContact CE1-CG 4.13Å; F446-L450 HydrophobicContact CE2-CD1 4.32Å; F446-L450 HydrophobicContact CE2-CD2 4.19Å; F446-L450 HydrophobicContact CE2-CG 4.19Å; F446-L450 HydrophobicContact CZ-CD1 3.64Å; F446-L450 HydrophobicContact CZ-CD2 4.06Å; F446-L450 HydrophobicContact CZ-CG 4Å; F446-L450 VanDerWaalsContact O-CG 3.3Å; F446-L450 WeakPolarHBondContact O-CG 3.26Å; F446-L450 PolarHBondContact O-N 3.19Å; F446-I512 HydrophobicContact CE1-CG2 4.22Å; F446-P513 HydrophobicContact CE1-CG 4.42Å; F446-P513 HydrophobicContact CZ-CG 4.11Å
447	L	66.4	Low	60.6	Low	25 Å²	25	71.5 Å²	71.5	13%	0.131	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-47.8	175	-68	172.4	0	0	0	111	L421 T425 L443 G444 F449 L450 E451 I512 V516	L421-L447 HydrophobicContact CD1-CD2 4.37Å; T425-L447 HydrophobicContact CG2-CD1 3.62Å; T425-L447 HydrophobicContact CG2-CD2 4.11Å; T425-L447 HydrophobicContact CG2-CG 4.42Å; L443-L447 HydrophobicContact CG-CD1 4.34Å; L443-L447 WeakPolarHBondContact O-CG 3.17Å; L443-L447 PolarHBondContact O-N 3.26Å; G444-L447 PolarHBondContact O-N 3.43Å; L447-F449 VanDerWaalsContact C-N 3.27Å; L447-F449 PolarHBondContact O-N 3.29Å; L447-L450 PolarHBondContact O-N 3.47Å; L447-E451 WeakPolarHBondContact O-CB 3.47Å; L447-E451 WeakPolarHBondContact O-CG 3.39Å; L447-E451 PolarHBondContact O-N 3.09Å; L447-I512 HydrophobicContact CD2-CG2 3.82Å; L447-V516 HydrophobicContact CD2-CG2 4.49Å
448	N	67.9	Low	61	Low	101 Å²	101	70.1 Å²	70.1	54%	0.54	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-40.3	175	-70.7	1.1	0	0	0	111.5	G444 E451 S452	G444-N448 WeakPolarHBondContact O-CB 3.28Å; G444-N448 PolarHBondContact O-N 3.17Å; G444-N448 PolarHBondContact O-OD1 3.36Å; N448-E451 PolarHBondContact O-N 3.44Å; N448-S452 WeakPolarHBondContact O-CB 3.45Å; N448-S452 PolarHBondContact O-N 2.89Å; N448-S452 PolarHBondContact O-OG 3.08Å
449	F	68	Low	61.2	Low	120 Å²	120	65.8 Å²	65.8	53%	0.526	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-44.3	174.3	169.9	-97.1	0	0	0	111.7	R445 F446 L447 E451 S452 S453	R445-F449 VanDerWaalsContact O-CB 3.23Å; R445-F449 WeakPolarHBondContact O-CB 3.35Å; R445-F449 PolarHBondContact O-N 2.87Å; F446-F449 WeakPolarHBondContact O-CB 3.32Å; F446-F449 PolarHBondContact O-N 3.29Å; L447-F449 VanDerWaalsContact C-N 3.27Å; L447-F449 PolarHBondContact O-N 3.29Å; F449-E451 VanDerWaalsContact C-N 3.32Å; F449-E451 PolarHBondContact O-N 2.98Å; F449-S452 PolarHBondContact O-N 3.08Å; F449-S453 WeakPolarHBondContact O-CA 3.48Å; F449-S453 WeakPolarHBondContact O-CB 3.49Å; F449-S453 PolarHBondContact O-N 2.95Å; F449-S453 PolarHBondContact O-OG 3.17Å
450	L	63.8	Low	61.3	Low	7 Å²	7	63.1 Å²	63.1	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-40.9	177.8	-69	178	0	0	0	111.4	F446 L447 S453 L457 I512 V516	F446-L450 HydrophobicContact CD1-CD1 3.92Å; F446-L450 HydrophobicContact CD1-CG 4.44Å; F446-L450 HydrophobicContact CE1-CD1 3.41Å; F446-L450 VanDerWaalsContact CE1-CD1 3.41Å; F446-L450 HydrophobicContact CE1-CG 4.13Å; F446-L450 HydrophobicContact CE2-CD1 4.32Å; F446-L450 HydrophobicContact CE2-CD2 4.19Å; F446-L450 HydrophobicContact CE2-CG 4.19Å; F446-L450 HydrophobicContact CZ-CD1 3.64Å; F446-L450 HydrophobicContact CZ-CD2 4.06Å; F446-L450 HydrophobicContact CZ-CG 4Å; F446-L450 VanDerWaalsContact O-CG 3.3Å; F446-L450 WeakPolarHBondContact O-CG 3.26Å; F446-L450 PolarHBondContact O-N 3.19Å; L447-L450 PolarHBondContact O-N 3.47Å; L450-S453 PolarHBondContact O-OG 2.89Å; L450-L457 HydrophobicContact CB-CD1 4.17Å; L450-L457 HydrophobicContact CD2-CD1 4.2Å; L450-L457 HydrophobicContact CD2-CD2 3.52Å; L450-I512 HydrophobicContact CD1-CG2 4.24Å; L450-V516 HydrophobicContact CB-CB 4.46Å; L450-V516 HydrophobicContact CB-CG1 3.85Å; L450-V516 HydrophobicContact CD1-CB 4.28Å; L450-V516 HydrophobicContact CD1-CG2 4Å
451	E	64	Low	61.1	Low	118 Å²	118	67.2 Å²	67.2	55%	0.551	35%	0.346	S	S	*	.	H	α-helix	trans	-69.4	-42.4	177.4	-72.4	175.1	-176.1	0	0	112.4	L447 N448 F449	L447-E451 WeakPolarHBondContact O-CB 3.47Å; L447-E451 WeakPolarHBondContact O-CG 3.39Å; L447-E451 PolarHBondContact O-N 3.09Å; N448-E451 PolarHBondContact O-N 3.44Å; F449-E451 VanDerWaalsContact C-N 3.32Å; F449-E451 PolarHBondContact O-N 2.98Å
452	S	64.8	Low	60.6	Low	91 Å²	91	61.8 Å²	61.8	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-84.5	-14.5	-177.6	78.7	0	0	0	0	113.7	N448 F449 S454	N448-S452 WeakPolarHBondContact O-CB 3.45Å; N448-S452 PolarHBondContact O-N 2.89Å; N448-S452 PolarHBondContact O-OG 3.08Å; F449-S452 PolarHBondContact O-N 3.08Å; S452-S454 PolarHBondContact O-N 2.98Å; S452-S454 VanDerWaalsContact O-N 3.15Å
453	S	60.4	Low	60	Low	10 Å²	10	65.2 Å²	65.2	7%	0.07	35%	0.351	C	S	.	.			trans	-69.7	112.1	-178.8	64.8	0	0	0	0	109.2	F449 L450 T455 R520	F449-S453 WeakPolarHBondContact O-CA 3.48Å; F449-S453 WeakPolarHBondContact O-CB 3.49Å; F449-S453 PolarHBondContact O-N 2.95Å; F449-S453 PolarHBondContact O-OG 3.17Å; L450-S453 PolarHBondContact O-OG 2.89Å; S453-T455 WeakPolarHBondContact CB-OG1 3.5Å; S453-T455 PolarHBondContact O-N 2.76Å; S453-T455 VanDerWaalsContact O-N 3.07Å; S453-T455 PolarHBondContact OG-OG1 2.79Å; S453-R520 PolarHBondContact O-NH1 3.1Å; S453-R520 PolarHBondContact O-NH2 2.96Å
454	S	55.6	Low	59.4	Low	83 Å²	83	67 Å²	67	58%	0.58	36%	0.364	S	S	*	.			trans	-62.3	-13.1	168	53.3	0	0	0	0	112.2	E76 S452	E76-S454 WeakPolarHBondContact OE1-CB 3.24Å; S452-S454 PolarHBondContact O-N 2.98Å; S452-S454 VanDerWaalsContact O-N 3.15Å
455	T	54.7	Low	58.5	Low	79 Å²	79	75 Å²	75	49%	0.485	39%	0.391	S	S	.	.	S	Bend	trans	-63	131	175.6	61.8	0	0	0	0	111.8	S453 L457 R520	S453-T455 WeakPolarHBondContact CB-OG1 3.5Å; S453-T455 PolarHBondContact O-N 2.76Å; S453-T455 VanDerWaalsContact O-N 3.07Å; S453-T455 PolarHBondContact OG-OG1 2.79Å; T455-L457 PolarHBondContact O-N 3.02Å; T455-R520 PolarHBondContact O-NH1 3.46Å
456	P	54.6	Low	57.4	Low	66 Å²	66	76.2 Å²	76.2	43%	0.429	40%	0.404	S	S	.	.			trans	-60.1	115.3	174.6	21.7	-30	0	0	0	109.2	R458	P456-R458 PolarHBondContact O-N 2.83Å
457	L	55	Low	56.4	Low	21 Å²	21	78.3 Å²	78.3	11%	0.11	42%	0.424	C	S	.	.			trans	-69.7	113.3	174.7	-67.4	176	0	0	0	107.9	L450 T455 L459 V516 A517	L450-L457 HydrophobicContact CB-CD1 4.17Å; L450-L457 HydrophobicContact CD2-CD1 4.2Å; L450-L457 HydrophobicContact CD2-CD2 3.52Å; T455-L457 PolarHBondContact O-N 3.02Å; L457-L459 PolarHBondContact O-N 3.47Å; L457-V516 HydrophobicContact CD1-CB 4.03Å; L457-V516 HydrophobicContact CD1-CG1 3.56Å; L457-A517 HydrophobicContact CB-CB 3.57Å; L457-A517 VanDerWaalsContact O-CB 3.31Å; L457-A517 WeakPolarHBondContact O-CB 3.44Å
458	R	58.8	Low	55.3	Low	27 Å²	27	78.9 Å²	78.9	10%	0.102	43%	0.43	C	S	.	.			trans	-73.9	128.1	-179.3	-61.7	-162.4	-153.4	168.9	13.2	110.9	P456 R460 R461 P472 I474 E485	P456-R458 PolarHBondContact O-N 2.83Å; R458-R460 PolarHBondContact O-N 2.95Å; R458-R460 VanDerWaalsContact O-N 3.14Å; R458-R461 HydrophobicContact CB-CB 4.31Å; R458-R461 HydrophobicContact CB-CG 4.18Å; R458-R461 PolarHBondContact O-N 3.46Å; R458-P472 PolarHBondContact NH1-O 3.49Å; R458-I474 VanDerWaalsContact CZ-CD1 3.48Å; R458-E485 WeakPolarHBondContact CD-OE1 3.08Å; R458-E485 IonicContact CZ-OE1 3.42Å; R458-E485 IonicContact CZ-OE2 3.74Å; R458-E485 IonicContact NE-OE1 2.76Å; R458-E485 IonicContact NH1-OE1 3.47Å; R458-E485 PolarHBondContact NH1-OE1 3.31Å; R458-E485 IonicContact NH1-OE2 2.68Å; R458-E485 PolarHBondContact NH1-OE2 3.45Å
459	L	57.7	Low	53.8	Low	1 Å²	1	80.8 Å²	80.8	1%	0.005	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.1	169.3	-69.9	167.6	0	0	0	112.1	L457 I492 A493 R514 A517 L518 Y521	L457-L459 PolarHBondContact O-N 3.47Å; L459-I492 HydrophobicContact CD1-CB 4.36Å; L459-I492 HydrophobicContact CD1-CG2 4.08Å; L459-A493 HydrophobicContact CD1-CB 3.66Å; L459-R514 HydrophobicContact CD2-CG 3.61Å; L459-R514 PolarHBondContact O-NH1 2.9Å; L459-A517 HydrophobicContact CD2-CB 3.77Å; L459-A517 HydrophobicContact CG-CB 4.21Å; L459-L518 HydrophobicContact CD1-CD2 4.18Å; L459-L518 HydrophobicContact CD2-CD2 3.7Å; L459-L518 HydrophobicContact CD2-CG 3.68Å; L459-Y521 HydrophobicContact CD1-CD2 4.3Å; L459-Y521 HydrophobicContact CD1-CE2 4.14Å; L459-Y521 HydrophobicContact CG-CE2 4.35Å
460	R	54.3	Low	52.5	Low	47 Å²	47	85.1 Å²	85.1	18%	0.177	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0	-176.5	-70	-169.1	-101.4	-158.8	-7.8	116.2	R458 S471 L488 D489	R458-R460 PolarHBondContact O-N 2.95Å; R458-R460 VanDerWaalsContact O-N 3.14Å; R460-S471 WeakPolarHBondContact CD-OG 3.27Å; R460-L488 VanDerWaalsContact NH2-CD2 3.25Å; R460-D489 IonicContact CZ-OD1 2.72Å; R460-D489 VanDerWaalsContact CZ-OD1 3.27Å; R460-D489 IonicContact NE-OD1 3.72Å; R460-D489 PolarHBondContact NE-OD1 3.12Å; R460-D489 IonicContact NH2-OD1 3.63Å; R460-D489 PolarHBondContact NH2-OD1 3.13Å
461	R	53.6	Low	51.5	Low	135 Å²	135	86.1 Å²	86.1	51%	0.509	47%	0.465	S	S	.	.			trans	-106.6	19	-174.2	-81.1	-176.8	175.8	-160	-7.4	116.5	R458 A463 P473	R458-R461 HydrophobicContact CB-CB 4.31Å; R458-R461 HydrophobicContact CB-CG 4.18Å; R458-R461 PolarHBondContact O-N 3.46Å; R461-A463 PolarHBondContact O-N 2.89Å; R461-P473 VanDerWaalsContact NH2-CA 3.25Å
462	C	50.4	Low	50.5	Low	24 Å²	24	84.3 Å²	84.3	16%	0.162	46%	0.464	C	S	.	.			trans	-70.7	130.1	176.8	-174.2	0	0	0	0	113.1	C464 C468 C511	C462-C464 HydrophobicContact CB-CB 4.48Å; C462-C464 WeakPolarHBondContact CB-SG 3.39Å; C462-C464 PolarHBondContact O-N 3.3Å; C462-C464 WeakPolarHBondContact SG-CB 3.23Å; C462-C464 PolarHBondContact SG-N 2.58Å; C462-C464 CovalentContact SG-SG 2.04Å; C462-C464 PolarHBondContact SG-SG 3.37Å; C462-C468 HydrophobicContact CB-CB 4.29Å; C462-C511 HydrophobicContact CB-CB 4.37Å; C462-C511 WeakPolarHBondContact CB-SG 3.39Å; C462-C511 PolarHBondContact SG-SG 3.42Å
463	A	48.2	Very low	49.9	Very low	103 Å²	103	82.2 Å²	82.2	85%	0.851	45%	0.448	S	S	*	.			trans	-75.7	6.2	170.7	0	0	0	0	0	114.6	R461 K465	R461-A463 PolarHBondContact O-N 2.89Å; A463-K465 PolarHBondContact O-N 3.38Å; A463-K465 VanDerWaalsContact O-N 3.09Å
464	C	51.5	Low	49.5	Very low	65 Å²	65	83.3 Å²	83.3	44%	0.439	45%	0.453	S	S	.	.	S	Bend	trans	-82	82.7	178.5	51.7	0	0	0	0	110.3	C462	C462-C464 HydrophobicContact CB-CB 4.48Å; C462-C464 WeakPolarHBondContact CB-SG 3.39Å; C462-C464 PolarHBondContact O-N 3.3Å; C462-C464 WeakPolarHBondContact SG-CB 3.23Å; C462-C464 PolarHBondContact SG-N 2.58Å; C462-C464 CovalentContact SG-SG 2.04Å; C462-C464 PolarHBondContact SG-SG 3.37Å
465	K	45.9	Very low	49.6	Very low	196 Å²	196	83.8 Å²	83.8	85%	0.852	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	11.6	111.6	164.6	-64.8	-175	176.5	-177.2	0	118	A463	A463-K465 PolarHBondContact O-N 3.38Å; A463-K465 VanDerWaalsContact O-N 3.09Å
466	Q	45.4	Very low	49.7	Very low	197 Å²	197	90.2 Å²	90.2	92%	0.921	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-5.9	149.4	-65.8	-162.2	-3.2	0	0	123
467	T	43.3	Very low	50	Low	129 Å²	129	88.9 Å²	88.9	79%	0.791	46%	0.461	S	S	*	.	S	Bend	trans	-139.2	3.2	175.2	48.2	0	0	0	0	117.2	L469	T467-L469 PolarHBondContact O-N 3.29Å
468	C	43.9	Very low	51.1	Low	37 Å²	37	92.3 Å²	92.3	25%	0.25	48%	0.479	C	S	.	.	S	Bend	trans	-91.8	96.6	172.8	-69	0	0	0	0	110.4	C462	C462-C468 HydrophobicContact CB-CB 4.29Å
469	L	36.7	Very low	51.8	Low	141 Å²	141	97 Å²	97	74%	0.738	50%	0.502	S	S	*	.			trans	-54.2	130.5	-175	-77.2	152.2	0	0	0	113	T467 S471	T467-L469 PolarHBondContact O-N 3.29Å; L469-S471 PolarHBondContact O-N 3.21Å; L469-S471 VanDerWaalsContact O-N 3.07Å
470	K	40.3	Very low	52.7	Low	210 Å²	210	100.5 Å²	100.5	91%	0.913	53%	0.526	S	S	*	.			trans	-63.8	99.7	-179.8	-63.9	175.6	-179.9	176.1	0	111.2
471	S	43.2	Very low	53.6	Low	28 Å²	28	99.9 Å²	99.9	20%	0.196	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-90.8	137.1	165.2	-58.3	0	0	0	0	111.4	R460 L469 E485	R460-S471 WeakPolarHBondContact CD-OG 3.27Å; L469-S471 PolarHBondContact O-N 3.21Å; L469-S471 VanDerWaalsContact O-N 3.07Å; S471-E485 VanDerWaalsContact CB-OE1 3.25Å; S471-E485 WeakPolarHBondContact CB-OE1 3.4Å
472	P	43	Very low	54.4	Low	81 Å²	81	97.1 Å²	97.1	53%	0.526	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-62.7	160.5	173.8	26.1	-32.6	0	0	0	111.9	R458 I474 L477	R458-P472 PolarHBondContact NH1-O 3.49Å; P472-I474 PolarHBondContact O-N 2.9Å; P472-L477 HydrophobicContact CG-CD2 4.36Å
473	P	51.5	Low	55.4	Low	47 Å²	47	101.8 Å²	101.8	31%	0.305	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-65.4	117.7	179.1	-14.6	27.9	0	0	0	113.5	R461 S475 R476	R461-P473 VanDerWaalsContact NH2-CA 3.25Å; P473-S475 PolarHBondContact O-N 3.29Å; P473-R476 WeakPolarHBondContact O-CA 3.46Å; P473-R476 WeakPolarHBondContact O-CB 3.47Å; P473-R476 PolarHBondContact O-N 2.65Å
474	I	53.1	Low	56.8	Low	32 Å²	32	103.4 Å²	103.4	16%	0.164	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-26.4	-43.1	159	-70.6	166.8	0	0	0	114.2	R458 P472 R476 L477 R482 E485	R458-I474 VanDerWaalsContact CZ-CD1 3.48Å; P472-I474 PolarHBondContact O-N 2.9Å; I474-R476 PolarHBondContact O-N 2.82Å; I474-L477 WeakPolarHBondContact O-CB 2.95Å; I474-L477 PolarHBondContact O-N 3.44Å; I474-R482 HydrophobicContact CG2-CB 4.39Å; I474-R482 HydrophobicContact CG2-CG 3.71Å; I474-R482 PolarHBondContact O-NE 3.25Å; I474-E485 WeakPolarHBondContact CG1-OE2 3.44Å
475	S	56.3	Low	57.7	Low	93 Å²	93	101 Å²	101	65%	0.65	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-59.8	-21.4	179.1	59	0	0	0	0	113.9	P473 R482	P473-S475 PolarHBondContact O-N 3.29Å; S475-R482 PolarHBondContact O-NH2 3.38Å
476	R	57.9	Low	58.9	Low	215 Å²	215	94.8 Å²	94.8	81%	0.811	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-100.6	-1.3	175	-63	-173.2	177.3	-177.3	-1.5	113.8	P473 I474	P473-R476 WeakPolarHBondContact O-CA 3.46Å; P473-R476 WeakPolarHBondContact O-CB 3.47Å; P473-R476 PolarHBondContact O-N 2.65Å; I474-R476 PolarHBondContact O-N 2.82Å
477	L	60.4	Low	60.5	Low	38 Å²	38	88.1 Å²	88.1	20%	0.199	46%	0.461	C	S	.	.	S	Bend	trans	-88.4	140.9	175.2	-64.9	-174.5	0	0	0	109.1	P472 I474 R482 E485	P472-L477 HydrophobicContact CG-CD2 4.36Å; I474-L477 WeakPolarHBondContact O-CB 2.95Å; I474-L477 PolarHBondContact O-N 3.44Å; L477-R482 HydrophobicContact CB-CG 3.76Å; L477-R482 PolarHBondContact O-NE 2.9Å; L477-R482 PolarHBondContact O-NH2 3.48Å; L477-E485 HydrophobicContact CD1-CB 4.41Å; L477-E485 WeakPolarHBondContact CD1-OE2 3.22Å
478	D	77	Confident	62.1	Low	92 Å²	92	85.3 Å²	85.3	49%	0.492	44%	0.441	S	S	.	.			trans	-64	162.7	164.2	57.9	42.1	0	0	0	110.8	S480 S481 R482	D478-S480 VanDerWaalsContact C-N 3.28Å; D478-S480 PolarHBondContact O-N 2.94Å; D478-S480 PolarHBondContact OD1-OG 3.2Å; D478-S481 PolarHBondContact O-N 3.42Å; D478-S481 VanDerWaalsContact O-N 3.09Å; D478-S481 WeakPolarHBondContact OD1-CB 3.27Å; D478-S481 PolarHBondContact OD1-N 3.09Å; D478-S481 PolarHBondContact OD1-OG 3.35Å; D478-R482 VanDerWaalsContact O-CG 3.32Å; D478-R482 WeakPolarHBondContact O-CG 3.46Å; D478-R482 PolarHBondContact O-N 2.96Å
479	E	74.1	Confident	63.6	Low	126 Å²	126	83.8 Å²	83.8	59%	0.589	43%	0.43	S	S	*	.	H	α-helix	trans	-59.5	-37.4	-171.8	-162.1	58.8	-154.1	0	0	112.9	R482 Q483	E479-R482 WeakPolarHBondContact O-CB 3.41Å; E479-R482 PolarHBondContact O-N 3.5Å; E479-R482 IonicContact OE2-NH1 3.31Å; E479-R482 PolarHBondContact OE2-NH1 3.2Å; E479-R482 VanDerWaalsContact OE2-NH1 3.16Å; E479-Q483 PolarHBondContact O-N 3.09Å
480	S	77	Confident	65.7	Low	74 Å²	74	81 Å²	81	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-58.2	-51.5	172.4	32.7	0	0	0	0	112.2	D478 R482 Q483 E484	D478-S480 VanDerWaalsContact C-N 3.28Å; D478-S480 PolarHBondContact O-N 2.94Å; D478-S480 PolarHBondContact OD1-OG 3.2Å; S480-R482 VanDerWaalsContact C-N 3.25Å; S480-R482 PolarHBondContact O-N 3.13Å; S480-Q483 PolarHBondContact O-N 3.46Å; S480-E484 WeakPolarHBondContact O-CG 3.47Å; S480-E484 PolarHBondContact O-N 2.88Å
481	S	73.9	Confident	67.6	Low	35 Å²	35	76.4 Å²	76.4	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-31.4	-179.3	-62.4	0	0	0	0	111.6	D478 E485	D478-S481 PolarHBondContact O-N 3.42Å; D478-S481 VanDerWaalsContact O-N 3.09Å; D478-S481 WeakPolarHBondContact OD1-CB 3.27Å; D478-S481 PolarHBondContact OD1-N 3.09Å; D478-S481 PolarHBondContact OD1-OG 3.35Å; S481-E485 WeakPolarHBondContact O-CB 3.42Å; S481-E485 PolarHBondContact O-N 3.25Å
482	R	69.6	Low	69.3	Low	77 Å²	77	77.6 Å²	77.6	29%	0.291	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-47.3	173	-66.2	-179.1	179.9	166.1	-0.5	111.4	I474 S475 L477 D478 E479 S480 E484 E485 I486	I474-R482 HydrophobicContact CG2-CB 4.39Å; I474-R482 HydrophobicContact CG2-CG 3.71Å; I474-R482 PolarHBondContact O-NE 3.25Å; S475-R482 PolarHBondContact O-NH2 3.38Å; L477-R482 HydrophobicContact CB-CG 3.76Å; L477-R482 PolarHBondContact O-NE 2.9Å; L477-R482 PolarHBondContact O-NH2 3.48Å; D478-R482 VanDerWaalsContact O-CG 3.32Å; D478-R482 WeakPolarHBondContact O-CG 3.46Å; D478-R482 PolarHBondContact O-N 2.96Å; E479-R482 WeakPolarHBondContact O-CB 3.41Å; E479-R482 PolarHBondContact O-N 3.5Å; E479-R482 IonicContact OE2-NH1 3.31Å; E479-R482 PolarHBondContact OE2-NH1 3.2Å; E479-R482 VanDerWaalsContact OE2-NH1 3.16Å; S480-R482 VanDerWaalsContact C-N 3.25Å; S480-R482 PolarHBondContact O-N 3.13Å; R482-E484 VanDerWaalsContact C-N 3.32Å; R482-E484 PolarHBondContact O-N 3.37Å; R482-E485 PolarHBondContact O-N 2.77Å; R482-I486 VanDerWaalsContact O-CG1 3.26Å; R482-I486 WeakPolarHBondContact O-CG1 3.39Å; R482-I486 PolarHBondContact O-N 3.21Å
483	Q	72.4	Confident	71.2	Confident	121 Å²	121	73.8 Å²	73.8	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-64	-39.1	179.8	-169.9	61.6	19.6	0	0	111.7	E479 S480 I486 S487	E479-Q483 PolarHBondContact O-N 3.09Å; S480-Q483 PolarHBondContact O-N 3.46Å; Q483-I486 PolarHBondContact O-N 3.15Å; Q483-S487 VanDerWaalsContact O-CB 3.29Å; Q483-S487 WeakPolarHBondContact O-CB 3.38Å; Q483-S487 PolarHBondContact O-N 2.8Å
484	E	75.9	Confident	72.8	Confident	137 Å²	137	72.1 Å²	72.1	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-45	172.9	-72.6	178.7	-175.4	0	0	112.2	S480 R482 I486 S487 L488	S480-E484 WeakPolarHBondContact O-CG 3.47Å; S480-E484 PolarHBondContact O-N 2.88Å; R482-E484 VanDerWaalsContact C-N 3.32Å; R482-E484 PolarHBondContact O-N 3.37Å; E484-I486 PolarHBondContact O-N 3.5Å; E484-S487 PolarHBondContact O-N 2.96Å; E484-L488 WeakPolarHBondContact O-CB 3.25Å; E484-L488 PolarHBondContact O-N 3.42Å
485	E	70.4	Confident	74.3	Confident	16 Å²	16	73.6 Å²	73.6	8%	0.075	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-41.5	178.4	-165.2	179.7	179.6	0	0	111.3	R458 S471 I474 L477 S481 R482 L488 D489	R458-E485 WeakPolarHBondContact CD-OE1 3.08Å; R458-E485 IonicContact CZ-OE1 3.42Å; R458-E485 IonicContact CZ-OE2 3.74Å; R458-E485 IonicContact NE-OE1 2.76Å; R458-E485 IonicContact NH1-OE1 3.47Å; R458-E485 PolarHBondContact NH1-OE1 3.31Å; R458-E485 IonicContact NH1-OE2 2.68Å; R458-E485 PolarHBondContact NH1-OE2 3.45Å; S471-E485 VanDerWaalsContact CB-OE1 3.25Å; S471-E485 WeakPolarHBondContact CB-OE1 3.4Å; I474-E485 WeakPolarHBondContact CG1-OE2 3.44Å; L477-E485 HydrophobicContact CD1-CB 4.41Å; L477-E485 WeakPolarHBondContact CD1-OE2 3.22Å; S481-E485 WeakPolarHBondContact O-CB 3.42Å; S481-E485 PolarHBondContact O-N 3.25Å; R482-E485 PolarHBondContact O-N 2.77Å; E485-L488 PolarHBondContact O-N 3.05Å; E485-D489 WeakPolarHBondContact O-CB 3.27Å; E485-D489 PolarHBondContact O-N 3.08Å
486	I	72.5	Confident	75.5	Confident	65 Å²	65	72 Å²	72	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-47	176	-68	165.1	0	0	0	110.9	R482 Q483 E484 L488 D489 Y490	R482-I486 VanDerWaalsContact O-CG1 3.26Å; R482-I486 WeakPolarHBondContact O-CG1 3.39Å; R482-I486 PolarHBondContact O-N 3.21Å; Q483-I486 PolarHBondContact O-N 3.15Å; E484-I486 PolarHBondContact O-N 3.5Å; I486-L488 VanDerWaalsContact C-N 3.31Å; I486-L488 PolarHBondContact O-N 3.37Å; I486-D489 PolarHBondContact O-N 3.37Å; I486-Y490 WeakPolarHBondContact O-CB 3.26Å; I486-Y490 PolarHBondContact O-N 3.46Å
487	S	77.5	Confident	76.8	Confident	56 Å²	56	62.1 Å²	62.1	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-43.7	177.7	-178.4	0	0	0	0	111.6	Q483 E484 Y490 Q491	Q483-S487 VanDerWaalsContact O-CB 3.29Å; Q483-S487 WeakPolarHBondContact O-CB 3.38Å; Q483-S487 PolarHBondContact O-N 2.8Å; E484-S487 PolarHBondContact O-N 2.96Å; S487-Y490 WeakPolarHBondContact O-CB 3.24Å; S487-Y490 PolarHBondContact O-N 2.88Å; S487-Q491 WeakPolarHBondContact O-CG 3.37Å; S487-Q491 PolarHBondContact O-N 2.78Å
488	L	77.7	Confident	77.7	Confident	71 Å²	71	64.2 Å²	64.2	37%	0.372	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-39.9	179.1	-176.3	58.2	0	0	0	112.5	R460 E484 E485 I486 Y490 Q491 I492	R460-L488 VanDerWaalsContact NH2-CD2 3.25Å; E484-L488 WeakPolarHBondContact O-CB 3.25Å; E484-L488 PolarHBondContact O-N 3.42Å; E485-L488 PolarHBondContact O-N 3.05Å; I486-L488 VanDerWaalsContact C-N 3.31Å; I486-L488 PolarHBondContact O-N 3.37Å; L488-Y490 VanDerWaalsContact C-N 3.31Å; L488-Y490 PolarHBondContact O-N 2.74Å; L488-Q491 PolarHBondContact O-N 2.84Å; L488-I492 HydrophobicContact CG-CD1 4.25Å; L488-I492 VanDerWaalsContact O-CG1 3.27Å; L488-I492 WeakPolarHBondContact O-CG1 3.29Å; L488-I492 PolarHBondContact O-N 3.1Å
489	D	74.5	Confident	77.8	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-39.5	173.5	-84.1	11	0	0	0	111.2	R460 E485 I486 I492 A493 Y521	R460-D489 IonicContact CZ-OD1 2.72Å; R460-D489 VanDerWaalsContact CZ-OD1 3.27Å; R460-D489 IonicContact NE-OD1 3.72Å; R460-D489 PolarHBondContact NE-OD1 3.12Å; R460-D489 IonicContact NH2-OD1 3.63Å; R460-D489 PolarHBondContact NH2-OD1 3.13Å; E485-D489 WeakPolarHBondContact O-CB 3.27Å; E485-D489 PolarHBondContact O-N 3.08Å; I486-D489 PolarHBondContact O-N 3.37Å; D489-I492 PolarHBondContact O-N 3.4Å; D489-A493 WeakPolarHBondContact O-CB 3.27Å; D489-A493 PolarHBondContact O-N 2.79Å; D489-Y521 WeakPolarHBondContact CB-OH 3.26Å
490	Y	81.8	Confident	77.4	Confident	82 Å²	82	62.7 Å²	62.7	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-45.7	172.8	176.5	-95.6	0	0	0	112.1	I486 S487 L488 I492 A493 M494 Y521 E525	I486-Y490 WeakPolarHBondContact O-CB 3.26Å; I486-Y490 PolarHBondContact O-N 3.46Å; S487-Y490 WeakPolarHBondContact O-CB 3.24Å; S487-Y490 PolarHBondContact O-N 2.88Å; L488-Y490 VanDerWaalsContact C-N 3.31Å; L488-Y490 PolarHBondContact O-N 2.74Å; Y490-I492 VanDerWaalsContact C-N 3.34Å; Y490-I492 PolarHBondContact O-N 2.99Å; Y490-A493 WeakPolarHBondContact O-CB 3.1Å; Y490-A493 PolarHBondContact O-N 3.22Å; Y490-M494 HydrophobicContact CD1-CG 4.11Å; Y490-M494 HydrophobicContact CD2-CE 4.34Å; Y490-M494 HydrophobicContact CD2-CG 4.34Å; Y490-M494 HydrophobicContact CE1-CG 3.67Å; Y490-M494 HydrophobicContact CE2-CE 3.9Å; Y490-M494 HydrophobicContact CE2-CG 3.92Å; Y490-M494 HydrophobicContact CE2-SD 4.12Å; Y490-M494 HydrophobicContact CG-CG 4.43Å; Y490-M494 WeakPolarHBondContact O-CG 3.29Å; Y490-M494 PolarHBondContact O-N 3.27Å; Y490-Y521 AromaticContact CD2-CD1 3.96Å; Y490-Y521 HydrophobicContact CD2-CD1 3.96Å; Y490-Y521 HydrophobicContact CD2-CE1 4.17Å; Y490-E525 PolarHBondContact OH-OE2 2.64Å; Y490-E525 VanDerWaalsContact OH-OE2 3.05Å
491	Q	80.7	Confident	76.7	Confident	114 Å²	114	62.8 Å²	62.8	53%	0.533	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-43.4	176.6	-74.1	174.9	5.1	0	0	112.1	S487 L488 M494 A495	S487-Q491 WeakPolarHBondContact O-CG 3.37Å; S487-Q491 PolarHBondContact O-N 2.78Å; L488-Q491 PolarHBondContact O-N 2.84Å; Q491-M494 PolarHBondContact O-N 3.3Å; Q491-A495 WeakPolarHBondContact O-CB 3.39Å; Q491-A495 PolarHBondContact O-N 2.75Å
492	I	79	Confident	75.8	Confident	54 Å²	54	67.9 Å²	67.9	28%	0.277	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-45.3	176.2	-66.2	164.6	0	0	0	110.3	L459 L488 D489 Y490 M494 A495 E496	L459-I492 HydrophobicContact CD1-CB 4.36Å; L459-I492 HydrophobicContact CD1-CG2 4.08Å; L488-I492 HydrophobicContact CG-CD1 4.25Å; L488-I492 VanDerWaalsContact O-CG1 3.27Å; L488-I492 WeakPolarHBondContact O-CG1 3.29Å; L488-I492 PolarHBondContact O-N 3.1Å; D489-I492 PolarHBondContact O-N 3.4Å; Y490-I492 VanDerWaalsContact C-N 3.34Å; Y490-I492 PolarHBondContact O-N 2.99Å; I492-M494 PolarHBondContact O-N 3.27Å; I492-A495 PolarHBondContact O-N 3.44Å; I492-E496 PolarHBondContact O-N 3.22Å
493	A	83.3	Confident	75	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-58.7	-48.7	178	0	0	0	0	0	111.4	L459 D489 Y490 E496 L497 L518 Y521	L459-A493 HydrophobicContact CD1-CB 3.66Å; D489-A493 WeakPolarHBondContact O-CB 3.27Å; D489-A493 PolarHBondContact O-N 2.79Å; Y490-A493 WeakPolarHBondContact O-CB 3.1Å; Y490-A493 PolarHBondContact O-N 3.22Å; A493-E496 PolarHBondContact O-N 2.93Å; A493-L497 WeakPolarHBondContact O-CB 3.49Å; A493-L497 VanDerWaalsContact O-CG 3.26Å; A493-L497 WeakPolarHBondContact O-CG 3.4Å; A493-L497 PolarHBondContact O-N 3.22Å; A493-L518 HydrophobicContact CB-CD2 4.25Å; A493-Y521 HydrophobicContact CB-CD1 4.02Å; A493-Y521 HydrophobicContact CB-CD2 3.55Å; A493-Y521 HydrophobicContact CB-CE2 4.18Å; A493-Y521 HydrophobicContact CB-CG 3.47Å; A493-Y521 VanDerWaalsContact CB-CG 3.47Å
494	M	84.8	Confident	73.9	Confident	13 Å²	13	68.5 Å²	68.5	6%	0.064	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-41.2	-179.9	-69.3	-56.9	107.7	0	0	111.9	Y490 Q491 I492 E496 L497 L498 E525	Y490-M494 HydrophobicContact CD1-CG 4.11Å; Y490-M494 HydrophobicContact CD2-CE 4.34Å; Y490-M494 HydrophobicContact CD2-CG 4.34Å; Y490-M494 HydrophobicContact CE1-CG 3.67Å; Y490-M494 HydrophobicContact CE2-CE 3.9Å; Y490-M494 HydrophobicContact CE2-CG 3.92Å; Y490-M494 HydrophobicContact CE2-SD 4.12Å; Y490-M494 HydrophobicContact CG-CG 4.43Å; Y490-M494 WeakPolarHBondContact O-CG 3.29Å; Y490-M494 PolarHBondContact O-N 3.27Å; Q491-M494 PolarHBondContact O-N 3.3Å; I492-M494 PolarHBondContact O-N 3.27Å; M494-E496 VanDerWaalsContact C-N 3.33Å; M494-E496 PolarHBondContact O-N 2.81Å; M494-L497 HydrophobicContact CE-CD1 3.6Å; M494-L497 PolarHBondContact O-N 2.67Å; M494-L498 VanDerWaalsContact O-CB 3.3Å; M494-L498 WeakPolarHBondContact O-CB 3.45Å; M494-L498 WeakPolarHBondContact O-CD1 3.31Å; M494-L498 WeakPolarHBondContact O-CG 3.48Å; M494-L498 PolarHBondContact O-N 3.06Å; M494-E525 HydrophobicContact CE-CB 3.99Å; M494-E525 HydrophobicContact CE-CG 4.25Å; M494-E525 HydrophobicContact SD-CB 4.21Å; M494-E525 HydrophobicContact SD-CG 3.8Å
495	A	83.4	Confident	72.4	Confident	63 Å²	63	66.1 Å²	66.1	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-42.4	175.3	0	0	0	0	0	111.7	Q491 I492 T499	Q491-A495 WeakPolarHBondContact O-CB 3.39Å; Q491-A495 PolarHBondContact O-N 2.75Å; I492-A495 PolarHBondContact O-N 3.44Å; A495-T499 VanDerWaalsContact O-CG2 3.29Å; A495-T499 WeakPolarHBondContact O-CG2 3.38Å; A495-T499 PolarHBondContact O-N 2.9Å
496	E	82.9	Confident	71.3	Confident	59 Å²	59	73.3 Å²	73.3	28%	0.276	41%	0.412	S	S	.	.	H	α-helix	trans	-69.9	-40.9	177.7	-172.8	167	-176	0	0	112.3	I492 A493 M494 L498 T499 R514 L518	I492-E496 PolarHBondContact O-N 3.22Å; A493-E496 PolarHBondContact O-N 2.93Å; M494-E496 VanDerWaalsContact C-N 3.33Å; M494-E496 PolarHBondContact O-N 2.81Å; E496-L498 VanDerWaalsContact C-N 3.35Å; E496-L498 PolarHBondContact O-N 2.8Å; E496-T499 PolarHBondContact O-N 3.44Å; E496-T499 PolarHBondContact O-OG1 3.28Å; E496-R514 IonicContact OE1-NE 3.13Å; E496-R514 PolarHBondContact OE1-NE 3.2Å; E496-R514 IonicContact OE1-NH2 2.64Å; E496-R514 IonicContact OE2-CZ 3.03Å; E496-R514 VanDerWaalsContact OE2-CZ 3.31Å; E496-R514 IonicContact OE2-NE 3.64Å; E496-R514 PolarHBondContact OE2-NE 2.74Å; E496-R514 IonicContact OE2-NH2 2.58Å; E496-R514 PolarHBondContact OE2-NH2 3.15Å; E496-L518 HydrophobicContact CB-CD2 4.17Å; E496-L518 HydrophobicContact CG-CD1 4.1Å; E496-L518 HydrophobicContact CG-CD2 4.21Å; E496-L518 VanDerWaalsContact OE1-CD1 3.3Å; E496-L518 WeakPolarHBondContact OE1-CD1 3.39Å
497	L	84.6	Confident	70.4	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-66.9	-35.6	178.9	-72.9	168.8	0	0	0	112.6	L410 K413 L417 A493 M494 T499 A522	L410-L497 HydrophobicContact CD2-CB 3.85Å; L410-L497 HydrophobicContact CD2-CD1 4.29Å; L410-L497 HydrophobicContact CD2-CG 4.5Å; K413-L497 HydrophobicContact CG-CD2 3.9Å; L417-L497 HydrophobicContact CD1-CD2 3.6Å; A493-L497 WeakPolarHBondContact O-CB 3.49Å; A493-L497 VanDerWaalsContact O-CG 3.26Å; A493-L497 WeakPolarHBondContact O-CG 3.4Å; A493-L497 PolarHBondContact O-N 3.22Å; M494-L497 HydrophobicContact CE-CD1 3.6Å; M494-L497 PolarHBondContact O-N 2.67Å; L497-T499 VanDerWaalsContact C-N 3.29Å; L497-T499 PolarHBondContact O-N 2.98Å; L497-A522 HydrophobicContact CD1-CB 3.8Å; L497-A522 HydrophobicContact CD2-CB 3.92Å
498	L	79.6	Confident	69.5	Low	82 Å²	82	82 Å²	82	43%	0.429	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.4	178.2	-66.2	171	0	0	0	113.6	M494 E496	M494-L498 VanDerWaalsContact O-CB 3.3Å; M494-L498 WeakPolarHBondContact O-CB 3.45Å; M494-L498 WeakPolarHBondContact O-CD1 3.31Å; M494-L498 WeakPolarHBondContact O-CG 3.48Å; M494-L498 PolarHBondContact O-N 3.06Å; E496-L498 VanDerWaalsContact C-N 3.35Å; E496-L498 PolarHBondContact O-N 2.8Å
499	T	77.8	Confident	69	Low	72 Å²	72	87.4 Å²	87.4	44%	0.442	46%	0.462	S	S	.	.	S	Bend	trans	-68.8	129.1	174.2	55.9	0	0	0	0	110.5	K413 A495 E496 L497 V501	K413-T499 PolarHBondContact NZ-O 3.34Å; A495-T499 VanDerWaalsContact O-CG2 3.29Å; A495-T499 WeakPolarHBondContact O-CG2 3.38Å; A495-T499 PolarHBondContact O-N 2.9Å; E496-T499 PolarHBondContact O-N 3.44Å; E496-T499 PolarHBondContact O-OG1 3.28Å; L497-T499 VanDerWaalsContact C-N 3.29Å; L497-T499 PolarHBondContact O-N 2.98Å; T499-V501 PolarHBondContact O-N 2.65Å
500	P	67	Low	69.1	Low	114 Å²	114	89 Å²	89	74%	0.74	47%	0.471	S	S	*	.			trans	-53.4	134.6	173.8	-23.6	31.9	0	0	0	110.3	L502	P500-L502 PolarHBondContact O-N 3.43Å
501	V	62	Low	68.8	Low	75 Å²	75	86 Å²	86	46%	0.455	46%	0.461	S	S	.	.			trans	-67.1	104	174.3	-179.2	0	0	0	0	107.5	K413 L416 T499	K413-V501 HydrophobicContact CD-CG2 3.83Å; L416-V501 HydrophobicContact CD2-CB 4.26Å; L416-V501 HydrophobicContact CD2-CG1 3.58Å; L416-V501 HydrophobicContact CD2-CG2 3.58Å; T499-V501 PolarHBondContact O-N 2.65Å
502	L	54.2	Low	68.6	Low	143 Å²	143	81.4 Å²	81.4	75%	0.749	44%	0.44	S	S	*	.			trans	-63.1	139.6	171.4	-73.9	172	0	0	0	109.2	P500 H504	P500-L502 PolarHBondContact O-N 3.43Å; L502-H504 PolarHBondContact O-N 3.45Å; L502-H504 VanDerWaalsContact O-N 3.15Å
503	P	53.5	Low	68.4	Low	116 Å²	116	81 Å²	81	75%	0.753	44%	0.441	S	S	*	.			trans	-54.6	124.2	173.4	-20.8	31.1	0	0	0	109	A505	P503-A505 PolarHBondContact O-N 3.25Å
504	H	49.3	Very low	68.1	Low	94 Å²	94	84 Å²	84	44%	0.435	45%	0.452	S	S	.	.			trans	-58.2	94.4	-171.1	-79.8	37.6	0	0	0	112.8	E420 L502	E420-H504 IonicContact OE1-CE1 3.88Å; E420-H504 IonicContact OE1-NE2 3.73Å; L502-H504 PolarHBondContact O-N 3.45Å; L502-H504 VanDerWaalsContact O-N 3.15Å
505	A	43	Very low	67.9	Low	88 Å²	88	83.8 Å²	83.8	73%	0.727	45%	0.451	S	S	*	.	S	Bend	trans	-104.1	117.1	154.7	0	0	0	0	0	106.9	P503	P503-A505 PolarHBondContact O-N 3.25Å
506	E	47.4	Very low	67.8	Low	167 Å²	167	81 Å²	81	78%	0.78	43%	0.428	S	S	*	.			trans	73.3	85.3	179.3	-53.1	-174.5	172.3	0	0	116	N508	E506-N508 VanDerWaalsContact C-N 3.29Å; E506-N508 PolarHBondContact O-N 3.12Å
507	R	54.1	Low	67.7	Low	178 Å²	178	78.2 Å²	78.2	67%	0.672	42%	0.415	S	S	*	.			trans	-65.6	86.8	166.8	-68.2	-173.6	-151.7	-145.9	3.9	110.2
508	N	58.8	Low	67.6	Low	125 Å²	125	78 Å²	78	67%	0.668	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-62.5	148.7	166.5	-79.4	-35.9	0	0	0	110.4	E506 I510	E506-N508 VanDerWaalsContact C-N 3.29Å; E506-N508 PolarHBondContact O-N 3.12Å; N508-I510 PolarHBondContact O-N 2.88Å
509	K	68.2	Low	68	Low	184 Å²	184	74.6 Å²	74.6	80%	0.8	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-56.6	124	173.9	-67.5	179.7	179.8	179.1	0	108.9
510	I	75.7	Confident	68.3	Low	39 Å²	39	74.4 Å²	74.4	20%	0.2	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-78.1	153.5	176.7	63.2	166.3	0	0	0	110.7	E420 E424 N508 T515	E420-I510 HydrophobicContact CB-CD1 4.17Å; E420-I510 WeakPolarHBondContact O-CD1 3.38Å; E424-I510 HydrophobicContact CB-CD1 3.71Å; E424-I510 HydrophobicContact CB-CG1 3.65Å; E424-I510 HydrophobicContact CG-CD1 4.27Å; E424-I510 HydrophobicContact CG-CG1 3.7Å; N508-I510 PolarHBondContact O-N 2.88Å; I510-T515 HydrophobicContact CD1-CG2 4.18Å
511	C	75.5	Confident	69.3	Low	18 Å²	18	70.4 Å²	70.4	12%	0.122	36%	0.358	C	S	.	.			trans	-85.2	109.9	167.9	165.6	0	0	0	0	109.6	C462 P513 R514 T515	C462-C511 HydrophobicContact CB-CB 4.37Å; C462-C511 WeakPolarHBondContact CB-SG 3.39Å; C462-C511 PolarHBondContact SG-SG 3.42Å; C511-P513 VanDerWaalsContact SG-CD 3.58Å; C511-R514 HydrophobicContact CB-CB 3.69Å; C511-R514 PolarHBondContact O-N 2.82Å; C511-R514 VanDerWaalsContact O-N 3.11Å; C511-R514 WeakPolarHBondContact SG-CB 3.41Å; C511-R514 PolarHBondContact SG-N 3.38Å; C511-T515 PolarHBondContact O-N 2.76Å; C511-T515 PolarHBondContact O-OG1 3.17Å; C511-T515 VanDerWaalsContact O-OG1 3.09Å
512	I	77.5	Confident	70.6	Confident	17 Å²	17	66.8 Å²	66.8	9%	0.087	34%	0.336	C	S	.	.	H	α-helix	trans	-52.7	-54.2	179.3	-67.3	173.3	0	0	0	112.5	L421 E424 T425 L428 L443 F446 L447 L450 R514 T515 V516	L421-I512 HydrophobicContact CD1-CB 4.36Å; L421-I512 HydrophobicContact CD1-CG1 4.17Å; L421-I512 HydrophobicContact CD1-CG2 3.91Å; E424-I512 HydrophobicContact CG-CD1 4.23Å; E424-I512 HydrophobicContact CG-CG1 4.15Å; T425-I512 HydrophobicContact CG2-CD1 4.25Å; L428-I512 HydrophobicContact CD1-CD1 3.44Å; L428-I512 VanDerWaalsContact CD1-CD1 3.44Å; L443-I512 HydrophobicContact CD1-CD1 4.48Å; F446-I512 HydrophobicContact CE1-CG2 4.22Å; L447-I512 HydrophobicContact CD2-CG2 3.82Å; L450-I512 HydrophobicContact CD1-CG2 4.24Å; I512-R514 VanDerWaalsContact C-N 3.28Å; I512-R514 PolarHBondContact O-N 3.49Å; I512-T515 PolarHBondContact O-N 2.83Å; I512-V516 HydrophobicContact CG2-CG2 4.3Å; I512-V516 VanDerWaalsContact O-CG2 3.31Å; I512-V516 WeakPolarHBondContact O-CG2 3.4Å; I512-V516 PolarHBondContact O-N 3.39Å
513	P	74.8	Confident	72.4	Confident	45 Å²	45	63.1 Å²	63.1	29%	0.292	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-37.1	177.7	-27	33.1	0	0	0	114.7	F446 C511 A517	F446-P513 HydrophobicContact CE1-CG 4.42Å; F446-P513 HydrophobicContact CZ-CG 4.11Å; C511-P513 VanDerWaalsContact SG-CD 3.58Å; P513-A517 WeakPolarHBondContact O-CB 3.25Å; P513-A517 PolarHBondContact O-N 3.38Å
514	R	76	Confident	74	Confident	65 Å²	65	60.3 Å²	60.3	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-71.1	-45.1	179	-175.1	-173.8	178.3	92	-3.4	110.6	L459 E496 C511 I512 V516 A517 L518	L459-R514 HydrophobicContact CD2-CG 3.61Å; L459-R514 PolarHBondContact O-NH1 2.9Å; E496-R514 IonicContact OE1-NE 3.13Å; E496-R514 PolarHBondContact OE1-NE 3.2Å; E496-R514 IonicContact OE1-NH2 2.64Å; E496-R514 IonicContact OE2-CZ 3.03Å; E496-R514 VanDerWaalsContact OE2-CZ 3.31Å; E496-R514 IonicContact OE2-NE 3.64Å; E496-R514 PolarHBondContact OE2-NE 2.74Å; E496-R514 IonicContact OE2-NH2 2.58Å; E496-R514 PolarHBondContact OE2-NH2 3.15Å; C511-R514 HydrophobicContact CB-CB 3.69Å; C511-R514 PolarHBondContact O-N 2.82Å; C511-R514 VanDerWaalsContact O-N 3.11Å; C511-R514 WeakPolarHBondContact SG-CB 3.41Å; C511-R514 PolarHBondContact SG-N 3.38Å; I512-R514 VanDerWaalsContact C-N 3.28Å; I512-R514 PolarHBondContact O-N 3.49Å; R514-V516 VanDerWaalsContact C-N 3.35Å; R514-V516 PolarHBondContact O-N 2.95Å; R514-A517 WeakPolarHBondContact O-CB 3.36Å; R514-A517 PolarHBondContact O-N 2.93Å; R514-L518 HydrophobicContact CG-CD1 4.48Å; R514-L518 WeakPolarHBondContact O-CG 3.16Å; R514-L518 PolarHBondContact O-N 2.66Å
515	T	80.8	Confident	76	Confident	7 Å²	7	56 Å²	56	4%	0.043	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-42.9	176.5	-57.3	0	0	0	0	111	L417 L421 I510 C511 I512 A517 L518 I519	L417-T515 HydrophobicContact CB-CG2 4.43Å; L417-T515 HydrophobicContact CD2-CG2 4.27Å; L421-T515 HydrophobicContact CB-CG2 4.06Å; I510-T515 HydrophobicContact CD1-CG2 4.18Å; C511-T515 PolarHBondContact O-N 2.76Å; C511-T515 PolarHBondContact O-OG1 3.17Å; C511-T515 VanDerWaalsContact O-OG1 3.09Å; I512-T515 PolarHBondContact O-N 2.83Å; T515-A517 VanDerWaalsContact C-N 3.34Å; T515-A517 PolarHBondContact O-N 3.45Å; T515-L518 PolarHBondContact O-N 3.27Å; T515-I519 HydrophobicContact CG2-CD1 4.13Å; T515-I519 VanDerWaalsContact O-CG1 3.31Å; T515-I519 WeakPolarHBondContact O-CG1 3.36Å; T515-I519 PolarHBondContact O-N 2.83Å
516	V	82	Confident	78.5	Confident	4 Å²	4	52 Å²	52	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-38.8	175.1	-177.3	0	0	0	0	111.3	L421 L447 L450 L457 I512 R514 I519 R520	L421-V516 HydrophobicContact CD1-CG2 4.11Å; L421-V516 HydrophobicContact CD2-CG2 3.71Å; L447-V516 HydrophobicContact CD2-CG2 4.49Å; L450-V516 HydrophobicContact CB-CB 4.46Å; L450-V516 HydrophobicContact CB-CG1 3.85Å; L450-V516 HydrophobicContact CD1-CB 4.28Å; L450-V516 HydrophobicContact CD1-CG2 4Å; L457-V516 HydrophobicContact CD1-CB 4.03Å; L457-V516 HydrophobicContact CD1-CG1 3.56Å; I512-V516 HydrophobicContact CG2-CG2 4.3Å; I512-V516 VanDerWaalsContact O-CG2 3.31Å; I512-V516 WeakPolarHBondContact O-CG2 3.4Å; I512-V516 PolarHBondContact O-N 3.39Å; R514-V516 VanDerWaalsContact C-N 3.35Å; R514-V516 PolarHBondContact O-N 2.95Å; V516-I519 PolarHBondContact O-N 3.07Å; V516-R520 WeakPolarHBondContact O-CG 3.5Å; V516-R520 PolarHBondContact O-N 2.86Å; V516-R520 VanDerWaalsContact O-N 3.08Å
517	A	78.9	Confident	80.8	Confident	1 Å²	1	50 Å²	50	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-48.3	172.3	0	0	0	0	0	112.1	L457 L459 P513 R514 T515 I519 R520 Y521	L457-A517 HydrophobicContact CB-CB 3.57Å; L457-A517 VanDerWaalsContact O-CB 3.31Å; L457-A517 WeakPolarHBondContact O-CB 3.44Å; L459-A517 HydrophobicContact CD2-CB 3.77Å; L459-A517 HydrophobicContact CG-CB 4.21Å; P513-A517 WeakPolarHBondContact O-CB 3.25Å; P513-A517 PolarHBondContact O-N 3.38Å; R514-A517 WeakPolarHBondContact O-CB 3.36Å; R514-A517 PolarHBondContact O-N 2.93Å; T515-A517 VanDerWaalsContact C-N 3.34Å; T515-A517 PolarHBondContact O-N 3.45Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 2.82Å; A517-R520 PolarHBondContact O-N 3.28Å; A517-Y521 WeakPolarHBondContact O-CD2 3.33Å; A517-Y521 PolarHBondContact O-N 3.1Å
518	L	84.1	Confident	82.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-41.8	177.2	-70.5	170.2	0	0	0	112.3	L417 L459 A493 E496 R514 T515 R520 Y521 A522	L417-L518 HydrophobicContact CD1-CB 3.98Å; L417-L518 HydrophobicContact CD2-CD1 4.44Å; L459-L518 HydrophobicContact CD1-CD2 4.18Å; L459-L518 HydrophobicContact CD2-CD2 3.7Å; L459-L518 HydrophobicContact CD2-CG 3.68Å; A493-L518 HydrophobicContact CB-CD2 4.25Å; E496-L518 HydrophobicContact CB-CD2 4.17Å; E496-L518 HydrophobicContact CG-CD1 4.1Å; E496-L518 HydrophobicContact CG-CD2 4.21Å; E496-L518 VanDerWaalsContact OE1-CD1 3.3Å; E496-L518 WeakPolarHBondContact OE1-CD1 3.39Å; R514-L518 HydrophobicContact CG-CD1 4.48Å; R514-L518 WeakPolarHBondContact O-CG 3.16Å; R514-L518 PolarHBondContact O-N 2.66Å; T515-L518 PolarHBondContact O-N 3.27Å; L518-R520 VanDerWaalsContact C-N 3.3Å; L518-R520 PolarHBondContact O-N 3.08Å; L518-Y521 PolarHBondContact O-N 2.87Å; L518-A522 WeakPolarHBondContact O-CB 3.43Å; L518-A522 PolarHBondContact O-N 2.77Å
519	I	87.5	Confident	84.3	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.062	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-45.4	175.3	-75.6	169	0	0	0	110.4	L414 L417 R418 L421 T515 V516 A517 A522 Q523	L414-I519 HydrophobicContact CD1-CB 4.28Å; L414-I519 HydrophobicContact CD1-CG1 4.25Å; L414-I519 HydrophobicContact CD1-CG2 3.85Å; L417-I519 HydrophobicContact CB-CD1 4.23Å; L417-I519 HydrophobicContact CB-CG1 3.77Å; L417-I519 HydrophobicContact CD1-CG1 4.38Å; R418-I519 HydrophobicContact CG-CD1 4.17Å; L421-I519 HydrophobicContact CB-CD1 4.39Å; L421-I519 HydrophobicContact CD2-CD1 3.73Å; T515-I519 HydrophobicContact CG2-CD1 4.13Å; T515-I519 VanDerWaalsContact O-CG1 3.31Å; T515-I519 WeakPolarHBondContact O-CG1 3.36Å; T515-I519 PolarHBondContact O-N 2.83Å; V516-I519 PolarHBondContact O-N 3.07Å; A517-I519 VanDerWaalsContact C-N 3.34Å; A517-I519 PolarHBondContact O-N 2.82Å; I519-A522 PolarHBondContact O-N 2.91Å; I519-Q523 VanDerWaalsContact O-CG 3.31Å; I519-Q523 WeakPolarHBondContact O-CG 3.37Å; I519-Q523 PolarHBondContact O-N 2.8Å
520	R	84.9	Confident	85.7	Confident	67 Å²	67	39.1 Å²	39.1	25%	0.253	18%	0.183	S	C	.	.	H	α-helix	trans	-66.7	-41.2	179.1	-69.2	-177.1	70.6	-172.5	3.2	112.8	S453 T455 V516 A517 L518 A522 Q523 A524	S453-R520 PolarHBondContact O-NH1 3.1Å; S453-R520 PolarHBondContact O-NH2 2.96Å; T455-R520 PolarHBondContact O-NH1 3.46Å; V516-R520 WeakPolarHBondContact O-CG 3.5Å; V516-R520 PolarHBondContact O-N 2.86Å; V516-R520 VanDerWaalsContact O-N 3.08Å; A517-R520 PolarHBondContact O-N 3.28Å; L518-R520 VanDerWaalsContact C-N 3.3Å; L518-R520 PolarHBondContact O-N 3.08Å; R520-A522 VanDerWaalsContact C-N 3.33Å; R520-Q523 PolarHBondContact O-N 3.3Å; R520-A524 PolarHBondContact O-N 2.95Å
521	Y	86.4	Confident	86.7	Confident	30 Å²	30	41.2 Å²	41.2	12%	0.118	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-41	173	-80.4	-68.2	0	0	0	112	L459 D489 Y490 A493 A517 L518 E525	L459-Y521 HydrophobicContact CD1-CD2 4.3Å; L459-Y521 HydrophobicContact CD1-CE2 4.14Å; L459-Y521 HydrophobicContact CG-CE2 4.35Å; D489-Y521 WeakPolarHBondContact CB-OH 3.26Å; Y490-Y521 AromaticContact CD2-CD1 3.96Å; Y490-Y521 HydrophobicContact CD2-CD1 3.96Å; Y490-Y521 HydrophobicContact CD2-CE1 4.17Å; A493-Y521 HydrophobicContact CB-CD1 4.02Å; A493-Y521 HydrophobicContact CB-CD2 3.55Å; A493-Y521 HydrophobicContact CB-CE2 4.18Å; A493-Y521 HydrophobicContact CB-CG 3.47Å; A493-Y521 VanDerWaalsContact CB-CG 3.47Å; A517-Y521 WeakPolarHBondContact O-CD2 3.33Å; A517-Y521 PolarHBondContact O-N 3.1Å; L518-Y521 PolarHBondContact O-N 2.87Å; Y521-E525 WeakPolarHBondContact O-CB 3.16Å; Y521-E525 PolarHBondContact O-N 3.45Å
522	A	89.7	Confident	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-43.8	175.9	0	0	0	0	0	111.7	L414 L497 L518 I519 R520 E525 I526	L414-A522 HydrophobicContact CB-CB 4.47Å; L414-A522 HydrophobicContact CD1-CB 4.18Å; L497-A522 HydrophobicContact CD1-CB 3.8Å; L497-A522 HydrophobicContact CD2-CB 3.92Å; L518-A522 WeakPolarHBondContact O-CB 3.43Å; L518-A522 PolarHBondContact O-N 2.77Å; I519-A522 PolarHBondContact O-N 2.91Å; R520-A522 VanDerWaalsContact C-N 3.33Å; A522-E525 PolarHBondContact O-N 3.35Å; A522-I526 WeakPolarHBondContact O-CB 3.49Å; A522-I526 WeakPolarHBondContact O-CD1 3.5Å; A522-I526 WeakPolarHBondContact O-CG1 3.11Å; A522-I526 PolarHBondContact O-N 3.22Å
523	Q	91.5	Very high	88.5	Confident	66 Å²	66	41.8 Å²	41.8	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-48.9	176.9	-73.5	174.4	-63.4	0	0	112.2	L414 I519 R520 E525 I526 E527	L414-Q523 HydrophobicContact CD1-CG 4.13Å; L414-Q523 HydrophobicContact CD2-CG 4.04Å; I519-Q523 VanDerWaalsContact O-CG 3.31Å; I519-Q523 WeakPolarHBondContact O-CG 3.37Å; I519-Q523 PolarHBondContact O-N 2.8Å; R520-Q523 PolarHBondContact O-N 3.3Å; Q523-E525 VanDerWaalsContact C-N 3.31Å; Q523-E525 PolarHBondContact O-N 3.05Å; Q523-I526 PolarHBondContact O-N 3.45Å; Q523-E527 WeakPolarHBondContact O-CG 3.46Å; Q523-E527 PolarHBondContact O-N 2.79Å
524	A	88.9	Confident	89.4	Confident	56 Å²	56	42.1 Å²	42.1	46%	0.463	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-40.5	178.2	0	0	0	0	0	112	R520 E527 R528	R520-A524 PolarHBondContact O-N 2.95Å; A524-E527 PolarHBondContact O-N 2.88Å; A524-R528 PolarHBondContact O-N 2.97Å; A524-R528 VanDerWaalsContact O-N 3.08Å
525	E	91.5	Very high	90.3	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-38	177.1	-179.9	65.8	171.8	0	0	112.4	R406 L410 Y490 M494 Y521 A522 Q523 R528 L529	R406-E525 IonicContact CZ-OE1 3.33Å; R406-E525 VanDerWaalsContact CZ-OE1 3.27Å; R406-E525 IonicContact NE-OE1 2.64Å; R406-E525 PolarHBondContact NE-OE1 3.12Å; R406-E525 IonicContact NH2-OE1 2.64Å; R406-E525 PolarHBondContact NH2-OE1 3.13Å; L410-E525 HydrophobicContact CD1-CB 4.3Å; L410-E525 HydrophobicContact CD1-CG 3.48Å; L410-E525 VanDerWaalsContact CD1-CG 3.48Å; Y490-E525 PolarHBondContact OH-OE2 2.64Å; Y490-E525 VanDerWaalsContact OH-OE2 3.05Å; M494-E525 HydrophobicContact CE-CB 3.99Å; M494-E525 HydrophobicContact CE-CG 4.25Å; M494-E525 HydrophobicContact SD-CB 4.21Å; M494-E525 HydrophobicContact SD-CG 3.8Å; Y521-E525 WeakPolarHBondContact O-CB 3.16Å; Y521-E525 PolarHBondContact O-N 3.45Å; A522-E525 PolarHBondContact O-N 3.35Å; Q523-E525 VanDerWaalsContact C-N 3.31Å; Q523-E525 PolarHBondContact O-N 3.05Å; E525-R528 VanDerWaalsContact CD-NH2 3.31Å; E525-R528 PolarHBondContact O-N 2.89Å; E525-R528 IonicContact OE1-CZ 2.72Å; E525-R528 IonicContact OE1-NE 2.65Å; E525-R528 IonicContact OE1-NH2 3.9Å; E525-R528 PolarHBondContact OE1-NH2 2.91Å; E525-R528 IonicContact OE2-CZ 3.99Å; E525-R528 IonicContact OE2-NE 3.66Å; E525-R528 PolarHBondContact OE2-NE 2.97Å; E525-R528 IonicContact OE2-NH2 3.48Å; E525-R528 PolarHBondContact OE2-NH2 2.73Å; E525-L529 HydrophobicContact CG-CD1 4.04Å; E525-L529 WeakPolarHBondContact O-CB 3.15Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.14Å; E525-L529 PolarHBondContact O-N 3.2Å
526	I	94.7	Very high	90.7	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-45.2	173.6	-77.1	164.4	0	0	0	110.7	L407 L410 E411 L414 A522 Q523 R528 L529 R530	L407-I526 HydrophobicContact CD1-CB 4.32Å; L407-I526 HydrophobicContact CD1-CG1 4.31Å; L407-I526 HydrophobicContact CD1-CG2 3.86Å; L410-I526 HydrophobicContact CB-CD1 4.21Å; L410-I526 HydrophobicContact CB-CG1 3.88Å; E411-I526 HydrophobicContact CG-CD1 3.97Å; E411-I526 HydrophobicContact CG-CG1 4.29Å; E411-I526 HydrophobicContact CG-CG2 4.44Å; L414-I526 HydrophobicContact CB-CD1 4.11Å; L414-I526 HydrophobicContact CD2-CD1 3.61Å; L414-I526 HydrophobicContact CG-CD1 4.46Å; A522-I526 WeakPolarHBondContact O-CB 3.49Å; A522-I526 WeakPolarHBondContact O-CD1 3.5Å; A522-I526 WeakPolarHBondContact O-CG1 3.11Å; A522-I526 PolarHBondContact O-N 3.22Å; Q523-I526 PolarHBondContact O-N 3.45Å; I526-R528 PolarHBondContact O-N 2.78Å; I526-L529 PolarHBondContact O-N 2.94Å; I526-R530 HydrophobicContact CG2-CG 4.45Å; I526-R530 WeakPolarHBondContact O-CB 3.19Å; I526-R530 VanDerWaalsContact O-CG 3.29Å; I526-R530 WeakPolarHBondContact O-CG 3.39Å; I526-R530 PolarHBondContact O-N 3.41Å
527	E	94.6	Very high	91	Very high	124 Å²	124	49.1 Å²	49.1	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-62.3	-42.9	177.4	-73.7	171.4	-172.7	0	0	112	Q523 A524 R530 S531	Q523-E527 WeakPolarHBondContact O-CG 3.46Å; Q523-E527 PolarHBondContact O-N 2.79Å; A524-E527 PolarHBondContact O-N 2.88Å; E527-R530 PolarHBondContact O-N 3.23Å; E527-S531 PolarHBondContact O-N 3.37Å; E527-S531 VanDerWaalsContact O-N 3.1Å; E527-S531 PolarHBondContact O-OG 2.82Å
528	R	93.3	Very high	91.5	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-44.8	174.7	-168	-170	68.3	75.2	2.7	111.6	A524 E525 I526 S531 S532	A524-R528 PolarHBondContact O-N 2.97Å; A524-R528 VanDerWaalsContact O-N 3.08Å; E525-R528 VanDerWaalsContact CD-NH2 3.31Å; E525-R528 PolarHBondContact O-N 2.89Å; E525-R528 IonicContact OE1-CZ 2.72Å; E525-R528 IonicContact OE1-NE 2.65Å; E525-R528 IonicContact OE1-NH2 3.9Å; E525-R528 PolarHBondContact OE1-NH2 2.91Å; E525-R528 IonicContact OE2-CZ 3.99Å; E525-R528 IonicContact OE2-NE 3.66Å; E525-R528 PolarHBondContact OE2-NE 2.97Å; E525-R528 IonicContact OE2-NH2 3.48Å; E525-R528 PolarHBondContact OE2-NH2 2.73Å; I526-R528 PolarHBondContact O-N 2.78Å; R528-S531 PolarHBondContact O-N 3.2Å; R528-S532 PolarHBondContact O-N 2.98Å
529	L	95	Very high	91.5	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-40.5	177.9	-76	168.8	0	0	0	112.1	R406 L407 L410 E525 I526 S531 S532 V533	R406-L529 HydrophobicContact CB-CD1 4.33Å; R406-L529 HydrophobicContact CG-CD1 3.76Å; L407-L529 HydrophobicContact CB-CB 4.45Å; L407-L529 HydrophobicContact CD1-CB 4.17Å; L410-L529 HydrophobicContact CD1-CD1 3.49Å; L410-L529 VanDerWaalsContact CD1-CD1 3.49Å; E525-L529 HydrophobicContact CG-CD1 4.04Å; E525-L529 WeakPolarHBondContact O-CB 3.15Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.14Å; E525-L529 PolarHBondContact O-N 3.2Å; I526-L529 PolarHBondContact O-N 2.94Å; L529-S531 VanDerWaalsContact C-N 3.3Å; L529-S531 PolarHBondContact O-N 3.48Å; L529-S532 PolarHBondContact O-N 3.04Å; L529-V533 WeakPolarHBondContact O-CB 3.48Å; L529-V533 VanDerWaalsContact O-CG2 3.28Å; L529-V533 WeakPolarHBondContact O-CG2 3.43Å; L529-V533 PolarHBondContact O-N 2.88Å
530	R	97.3	Very high	91.1	Very high	132 Å²	132	68.3 Å²	68.3	50%	0.498	33%	0.326	S	S	.	.	H	α-helix	trans	-58.7	-43.3	175	-76.6	173.1	179	173.8	-1.1	111.7	L407 E411 I526 E527 V533 A534	L407-R530 HydrophobicContact CD1-CG 3.86Å; L407-R530 HydrophobicContact CD2-CG 3.98Å; E411-R530 IonicContact OE1-CZ 3.88Å; E411-R530 IonicContact OE1-NE 2.68Å; E411-R530 PolarHBondContact OE1-NE 2.71Å; E411-R530 IonicContact OE1-NH2 2.73Å; E411-R530 PolarHBondContact OE1-NH2 2.95Å; I526-R530 HydrophobicContact CG2-CG 4.45Å; I526-R530 WeakPolarHBondContact O-CB 3.19Å; I526-R530 VanDerWaalsContact O-CG 3.29Å; I526-R530 WeakPolarHBondContact O-CG 3.39Å; I526-R530 PolarHBondContact O-N 3.41Å; E527-R530 PolarHBondContact O-N 3.23Å; R530-V533 PolarHBondContact O-N 3.24Å; R530-A534 WeakPolarHBondContact O-CB 3.46Å; R530-A534 PolarHBondContact O-N 2.72Å
531	S	96.1	Very high	90.9	Very high	83 Å²	83	69.4 Å²	69.4	58%	0.58	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-45.2	175.6	-55.6	0	0	0	0	111.5	E527 R528 L529 A534 E535	E527-S531 PolarHBondContact O-N 3.37Å; E527-S531 VanDerWaalsContact O-N 3.1Å; E527-S531 PolarHBondContact O-OG 2.82Å; R528-S531 PolarHBondContact O-N 3.2Å; L529-S531 VanDerWaalsContact C-N 3.3Å; L529-S531 PolarHBondContact O-N 3.48Å; S531-A534 PolarHBondContact O-N 2.65Å; S531-E535 PolarHBondContact O-N 3.46Å; S531-E535 VanDerWaalsContact O-N 3.12Å
532	S	95.1	Very high	90.7	Very high	37 Å²	37	72 Å²	72	26%	0.259	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-40.2	177.4	-177.7	0	0	0	0	113.1	R528 L529 E535 L536	R528-S532 PolarHBondContact O-N 2.98Å; L529-S532 PolarHBondContact O-N 3.04Å; S532-E535 PolarHBondContact O-N 2.89Å; S532-L536 WeakPolarHBondContact O-CB 3.45Å; S532-L536 VanDerWaalsContact O-CG 3.28Å; S532-L536 WeakPolarHBondContact O-CG 3.48Å; S532-L536 PolarHBondContact O-N 3.17Å
533	V	94.7	Very high	90	Very high	10 Å²	10	78.8 Å²	78.8	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-44	175.2	167.4	0	0	0	0	110.2	L400 A403 Q404 L407 L529 R530 E535 L536 Q537	L400-V533 HydrophobicContact CD1-CG1 4.1Å; A403-V533 HydrophobicContact CB-CG2 3.71Å; Q404-V533 HydrophobicContact CG-CG1 3.99Å; Q404-V533 HydrophobicContact CG-CG2 4.12Å; L407-V533 HydrophobicContact CD2-CG2 4.42Å; L529-V533 WeakPolarHBondContact O-CB 3.48Å; L529-V533 VanDerWaalsContact O-CG2 3.28Å; L529-V533 WeakPolarHBondContact O-CG2 3.43Å; L529-V533 PolarHBondContact O-N 2.88Å; R530-V533 PolarHBondContact O-N 3.24Å; V533-E535 PolarHBondContact O-N 3.35Å; V533-L536 PolarHBondContact O-N 3.34Å; V533-Q537 HydrophobicContact CG1-CG 4.18Å; V533-Q537 WeakPolarHBondContact O-CB 3.42Å; V533-Q537 VanDerWaalsContact O-CG 3.23Å; V533-Q537 WeakPolarHBondContact O-CG 3.48Å; V533-Q537 PolarHBondContact O-N 2.91Å
534	A	95.6	Very high	89.4	Confident	53 Å²	53	79.2 Å²	79.2	44%	0.438	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-44.4	177.6	0	0	0	0	0	112.3	R530 S531 Q537 Q538	R530-A534 WeakPolarHBondContact O-CB 3.46Å; R530-A534 PolarHBondContact O-N 2.72Å; S531-A534 PolarHBondContact O-N 2.65Å; A534-Q537 PolarHBondContact O-N 2.94Å; A534-Q538 PolarHBondContact O-N 3.11Å
535	E	94.6	Very high	88.9	Confident	111 Å²	111	79.6 Å²	79.6	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.8	-172.2	-170.2	157	0	0	111.8	S531 S532 V533 Q537 Q538 R539	S531-E535 PolarHBondContact O-N 3.46Å; S531-E535 VanDerWaalsContact O-N 3.12Å; S532-E535 PolarHBondContact O-N 2.89Å; V533-E535 PolarHBondContact O-N 3.35Å; E535-Q537 VanDerWaalsContact C-N 3.35Å; E535-Q537 PolarHBondContact O-N 3.26Å; E535-Q538 WeakPolarHBondContact O-CB 3.15Å; E535-Q538 PolarHBondContact O-N 2.93Å; E535-R539 WeakPolarHBondContact O-CG 3.34Å; E535-R539 PolarHBondContact O-N 3.12Å
536	L	88.7	Confident	88.2	Confident	32 Å²	32	82.2 Å²	82.2	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-65.9	-36.1	179.1	-71.5	168.5	0	0	0	112.3	P399 L400 A403 S532 V533 R539 R540	P399-L536 HydrophobicContact CB-CD1 4.06Å; P399-L536 HydrophobicContact CB-CD2 4.09Å; L400-L536 HydrophobicContact CB-CB 4.11Å; L400-L536 HydrophobicContact CD1-CB 3.87Å; A403-L536 HydrophobicContact CB-CD1 4.24Å; S532-L536 WeakPolarHBondContact O-CB 3.45Å; S532-L536 VanDerWaalsContact O-CG 3.28Å; S532-L536 WeakPolarHBondContact O-CG 3.48Å; S532-L536 PolarHBondContact O-N 3.17Å; V533-L536 PolarHBondContact O-N 3.34Å; L536-R539 PolarHBondContact O-N 3.11Å; L536-R540 PolarHBondContact O-N 2.87Å
537	Q	87.5	Confident	87.2	Confident	80 Å²	80	83.8 Å²	83.8	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-43	172.1	-76.8	173.6	-28.3	0	0	111.4	L400 V533 A534 E535 R539 R540 N541	L400-Q537 HydrophobicContact CD1-CG 3.74Å; L400-Q537 HydrophobicContact CD2-CG 4.23Å; V533-Q537 HydrophobicContact CG1-CG 4.18Å; V533-Q537 WeakPolarHBondContact O-CB 3.42Å; V533-Q537 VanDerWaalsContact O-CG 3.23Å; V533-Q537 WeakPolarHBondContact O-CG 3.48Å; V533-Q537 PolarHBondContact O-N 2.91Å; A534-Q537 PolarHBondContact O-N 2.94Å; E535-Q537 VanDerWaalsContact C-N 3.35Å; E535-Q537 PolarHBondContact O-N 3.26Å; Q537-R539 VanDerWaalsContact C-N 3.34Å; Q537-R539 PolarHBondContact O-N 2.76Å; Q537-R540 PolarHBondContact O-N 3.5Å; Q537-N541 VanDerWaalsContact O-CG 3.23Å; Q537-N541 PolarHBondContact O-N 2.72Å; Q537-N541 PolarHBondContact O-OD1 2.89Å
538	Q	90.5	Very high	86.5	Confident	139 Å²	139	83.2 Å²	83.2	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-60.5	-43.2	175.3	-173.9	-178.8	-0.9	0	0	111.6	A534 E535 N541 Q542	A534-Q538 PolarHBondContact O-N 3.11Å; E535-Q538 WeakPolarHBondContact O-CB 3.15Å; E535-Q538 PolarHBondContact O-N 2.93Å; Q538-N541 PolarHBondContact O-N 2.95Å; Q538-Q542 PolarHBondContact O-N 2.81Å
539	R	82.9	Confident	86.2	Confident	130 Å²	130	84.2 Å²	84.2	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-62.9	-42.1	175.4	-67.3	178.4	92.4	175.8	3.8	111.9	E535 L536 Q537 N541 Q542 Y543	E535-R539 WeakPolarHBondContact O-CG 3.34Å; E535-R539 PolarHBondContact O-N 3.12Å; L536-R539 PolarHBondContact O-N 3.11Å; Q537-R539 VanDerWaalsContact C-N 3.34Å; Q537-R539 PolarHBondContact O-N 2.76Å; R539-N541 PolarHBondContact O-N 2.75Å; R539-Q542 WeakPolarHBondContact O-CB 3.42Å; R539-Q542 PolarHBondContact O-N 2.79Å; R539-Y543 WeakPolarHBondContact O-CD2 3.49Å; R539-Y543 PolarHBondContact O-N 3.1Å; R539-Y543 VanDerWaalsContact O-N 3.12Å
540	R	80.6	Confident	85.3	Confident	149 Å²	149	90.1 Å²	90.1	56%	0.562	42%	0.42	S	S	*	.	H	α-helix	trans	-59.6	-44.9	173.7	-179.4	-180	176.8	-172.1	-1.5	111.7	L400 L536 Q537 Q542 Y543 I544	L400-R540 HydrophobicContact CD2-CB 4.42Å; L536-R540 PolarHBondContact O-N 2.87Å; Q537-R540 PolarHBondContact O-N 3.5Å; R540-Q542 VanDerWaalsContact C-N 3.29Å; R540-Q542 PolarHBondContact O-N 2.97Å; R540-Y543 WeakPolarHBondContact O-CB 3.29Å; R540-Y543 PolarHBondContact O-N 3Å; R540-Y543 VanDerWaalsContact O-N 3.15Å; R540-I544 HydrophobicContact CG-CD1 4.4Å; R540-I544 WeakPolarHBondContact O-CG1 3.33Å; R540-I544 PolarHBondContact O-N 2.93Å; R540-I544 VanDerWaalsContact O-N 3.11Å
541	N	80	Confident	84.3	Confident	90 Å²	90	86 Å²	86	48%	0.481	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-36.9	177.9	-67.9	-10.1	0	0	0	111.6	Q537 Q538 R539 Y543 I544 I545	Q537-N541 VanDerWaalsContact O-CG 3.23Å; Q537-N541 PolarHBondContact O-N 2.72Å; Q537-N541 PolarHBondContact O-OD1 2.89Å; Q538-N541 PolarHBondContact O-N 2.95Å; R539-N541 PolarHBondContact O-N 2.75Å; N541-Y543 VanDerWaalsContact C-N 3.34Å; N541-Y543 PolarHBondContact O-N 2.92Å; N541-I544 PolarHBondContact O-N 2.84Å; N541-I545 WeakPolarHBondContact O-CG1 3.42Å; N541-I545 PolarHBondContact O-N 2.8Å
542	Q	81.6	Confident	83.6	Confident	84 Å²	84	86.9 Å²	86.9	39%	0.393	40%	0.404	S	S	.	.	H	α-helix	trans	-61	-42	173.3	-173.6	58.3	54.6	0	0	111.8	Q538 R539 R540 I544 I545 D546	Q538-Q542 PolarHBondContact O-N 2.81Å; R539-Q542 WeakPolarHBondContact O-CB 3.42Å; R539-Q542 PolarHBondContact O-N 2.79Å; R540-Q542 VanDerWaalsContact C-N 3.29Å; R540-Q542 PolarHBondContact O-N 2.97Å; Q542-I544 PolarHBondContact O-N 3.1Å; Q542-I545 PolarHBondContact O-N 3.13Å; Q542-D546 PolarHBondContact NE2-OD1 3.42Å; Q542-D546 PolarHBondContact NE2-OD2 3.46Å; Q542-D546 WeakPolarHBondContact O-CB 3.37Å; Q542-D546 VanDerWaalsContact O-CG 3.23Å; Q542-D546 PolarHBondContact O-N 2.76Å
543	Y	76.3	Confident	83.1	Confident	143 Å²	143	87.4 Å²	87.4	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-64.7	-36.9	176.6	-59.9	-30.7	0	0	0	113.2	R539 R540 N541 D546 D547	R539-Y543 WeakPolarHBondContact O-CD2 3.49Å; R539-Y543 PolarHBondContact O-N 3.1Å; R539-Y543 VanDerWaalsContact O-N 3.12Å; R540-Y543 WeakPolarHBondContact O-CB 3.29Å; R540-Y543 PolarHBondContact O-N 3Å; R540-Y543 VanDerWaalsContact O-N 3.15Å; N541-Y543 VanDerWaalsContact C-N 3.34Å; N541-Y543 PolarHBondContact O-N 2.92Å; Y543-D546 PolarHBondContact O-N 3.49Å; Y543-D547 PolarHBondContact O-N 2.88Å
544	I	77.7	Confident	82.8	Confident	76 Å²	76	92 Å²	92	39%	0.39	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-49.5	174.2	-65.7	168	0	0	0	109.8	R540 N541 Q542 D546 D547 E548	R540-I544 HydrophobicContact CG-CD1 4.4Å; R540-I544 WeakPolarHBondContact O-CG1 3.33Å; R540-I544 PolarHBondContact O-N 2.93Å; R540-I544 VanDerWaalsContact O-N 3.11Å; N541-I544 PolarHBondContact O-N 2.84Å; Q542-I544 PolarHBondContact O-N 3.1Å; I544-D546 VanDerWaalsContact C-N 3.3Å; I544-D546 PolarHBondContact O-N 2.96Å; I544-D547 PolarHBondContact O-N 3.04Å; I544-E548 WeakPolarHBondContact O-CG 3.21Å; I544-E548 PolarHBondContact O-N 3.1Å
545	I	79	Confident	82.5	Confident	63 Å²	63	94.2 Å²	94.2	32%	0.323	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-40	178	-66.7	166.3	0	0	0	111.4	N541 Q542 D547 E548 R549	N541-I545 WeakPolarHBondContact O-CG1 3.42Å; N541-I545 PolarHBondContact O-N 2.8Å; Q542-I545 PolarHBondContact O-N 3.13Å; I545-D547 VanDerWaalsContact C-N 3.34Å; I545-E548 PolarHBondContact O-N 3.11Å; I545-R549 WeakPolarHBondContact O-CB 3.47Å; I545-R549 VanDerWaalsContact O-CG 3.24Å; I545-R549 WeakPolarHBondContact O-CG 3.43Å; I545-R549 PolarHBondContact O-N 2.99Å
546	D	75.9	Confident	82.3	Confident	59 Å²	59	92.3 Å²	92.3	32%	0.316	42%	0.419	S	S	.	.	H	α-helix	trans	-68.4	-33.7	179.2	-71.2	-19.7	0	0	0	112.3	Q542 Y543 I544 R549 R550	Q542-D546 PolarHBondContact NE2-OD1 3.42Å; Q542-D546 PolarHBondContact NE2-OD2 3.46Å; Q542-D546 WeakPolarHBondContact O-CB 3.37Å; Q542-D546 VanDerWaalsContact O-CG 3.23Å; Q542-D546 PolarHBondContact O-N 2.76Å; Y543-D546 PolarHBondContact O-N 3.49Å; I544-D546 VanDerWaalsContact C-N 3.3Å; I544-D546 PolarHBondContact O-N 2.96Å; D546-R549 IonicContact OD1-NH1 3.68Å; D546-R550 VanDerWaalsContact O-CB 3.31Å; D546-R550 WeakPolarHBondContact O-CB 3.46Å; D546-R550 PolarHBondContact O-N 3.28Å; D546-R550 VanDerWaalsContact O-N 3.07Å
547	D	75	Confident	82.4	Confident	38 Å²	38	96.7 Å²	96.7	20%	0.203	44%	0.437	C	S	.	.	H	α-helix	trans	-69.5	-47.1	172.9	-166.7	59.6	0	0	0	111.5	H300 Y543 I544 I545 R549 R550 V551	H300-D547 IonicContact CE1-OD1 3.16Å; H300-D547 IonicContact CE1-OD2 3.31Å; H300-D547 PolarHBondContact CE1-OD2 3.22Å; H300-D547 IonicContact CG-OD1 3.3Å; H300-D547 VanDerWaalsContact ND1-CG 3.28Å; H300-D547 IonicContact ND1-OD1 3.27Å; H300-D547 PolarHBondContact ND1-OD1 3.45Å; H300-D547 IonicContact ND1-OD2 3.11Å; H300-D547 PolarHBondContact ND1-OD2 2.89Å; Y543-D547 PolarHBondContact O-N 2.88Å; I544-D547 PolarHBondContact O-N 3.04Å; I545-D547 VanDerWaalsContact C-N 3.34Å; D547-R549 VanDerWaalsContact C-N 3.28Å; D547-R549 PolarHBondContact O-N 2.85Å; D547-R550 WeakPolarHBondContact O-CA 3.27Å; D547-R550 WeakPolarHBondContact O-CB 3.46Å; D547-R550 PolarHBondContact O-N 3.45Å; D547-V551 WeakPolarHBondContact O-CG2 3.18Å; D547-V551 PolarHBondContact O-N 2.94Å
548	E	79.9	Confident	82.7	Confident	112 Å²	112	97 Å²	97	52%	0.523	44%	0.44	S	S	.	.	H	α-helix	trans	-53.7	-46	174.6	-73.5	179.3	169.8	0	0	111.6	I544 I545 R550 V551 H552	I544-E548 WeakPolarHBondContact O-CG 3.21Å; I544-E548 PolarHBondContact O-N 3.1Å; I545-E548 PolarHBondContact O-N 3.11Å; E548-R550 VanDerWaalsContact C-N 3.31Å; E548-R550 PolarHBondContact O-N 3.02Å; E548-V551 PolarHBondContact O-N 3.23Å; E548-H552 VanDerWaalsContact O-CB 3.28Å; E548-H552 WeakPolarHBondContact O-CB 3.36Å; E548-H552 PolarHBondContact O-N 2.88Å; E548-H552 VanDerWaalsContact O-N 3.08Å
549	R	85.7	Confident	82.8	Confident	141 Å²	141	97.7 Å²	97.7	53%	0.532	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-36.5	175.2	-72.6	169.1	177.9	178.8	-0.5	112.4	I545 D546 D547 Y554	I545-R549 WeakPolarHBondContact O-CB 3.47Å; I545-R549 VanDerWaalsContact O-CG 3.24Å; I545-R549 WeakPolarHBondContact O-CG 3.43Å; I545-R549 PolarHBondContact O-N 2.99Å; D546-R549 IonicContact OD1-NH1 3.68Å; D547-R549 VanDerWaalsContact C-N 3.28Å; D547-R549 PolarHBondContact O-N 2.85Å; R549-Y554 VanDerWaalsContact O-CE2 3.32Å; R549-Y554 WeakPolarHBondContact O-CE2 3.43Å; R549-Y554 PolarHBondContact O-OH 3.36Å
550	R	75.8	Confident	83.3	Confident	131 Å²	131	95.9 Å²	95.9	49%	0.494	44%	0.441	S	S	.	.	H	α-helix	trans	-70.5	-37.7	-177.8	179.2	-173.8	-61.3	166.5	0.9	112.4	R302 D546 D547 E548	R302-R550 HydrophobicContact CG-CG 3.87Å; D546-R550 VanDerWaalsContact O-CB 3.31Å; D546-R550 WeakPolarHBondContact O-CB 3.46Å; D546-R550 PolarHBondContact O-N 3.28Å; D546-R550 VanDerWaalsContact O-N 3.07Å; D547-R550 WeakPolarHBondContact O-CA 3.27Å; D547-R550 WeakPolarHBondContact O-CB 3.46Å; D547-R550 PolarHBondContact O-N 3.45Å; E548-R550 VanDerWaalsContact C-N 3.31Å; E548-R550 PolarHBondContact O-N 3.02Å
551	V	76.3	Confident	84	Confident	45 Å²	45	93.8 Å²	93.8	27%	0.273	44%	0.436	S	S	.	.	H	α-helix	trans	-90.3	-15.2	-176.2	-55.3	0	0	0	0	112.8	S299 D547 E548	S299-V551 WeakPolarHBondContact O-CG1 3.45Å; D547-V551 WeakPolarHBondContact O-CG2 3.18Å; D547-V551 PolarHBondContact O-N 2.94Å; E548-V551 PolarHBondContact O-N 3.23Å
552	H	82.7	Confident	84.7	Confident	101 Å²	101	94 Å²	94	47%	0.468	44%	0.437	S	S	.	.			trans	-63.5	139.3	-176.9	-171.8	74.6	0	0	0	114.4	E548 Y554	E548-H552 VanDerWaalsContact O-CB 3.28Å; E548-H552 WeakPolarHBondContact O-CB 3.36Å; E548-H552 PolarHBondContact O-N 2.88Å; E548-H552 VanDerWaalsContact O-N 3.08Å; H552-Y554 HydrophobicContact CB-CE2 4.23Å; H552-Y554 AromaticContact CD2-CD1 3.92Å; H552-Y554 AromaticContact CD2-CE1 3.93Å; H552-Y554 WeakPolarHBondContact O-CD2 3.47Å; H552-Y554 PolarHBondContact O-N 2.71Å
553	D	84.4	Confident	85.3	Confident	49 Å²	49	95.6 Å²	95.6	26%	0.262	45%	0.447	S	S	.	.			trans	-77.1	101.8	169.7	-160.9	-8.9	0	0	0	111.6	Q303 E555 P556	Q303-D553 VanDerWaalsContact CD-CB 3.45Å; Q303-D553 VanDerWaalsContact CD-CG 3.42Å; Q303-D553 PolarHBondContact NE2-OD2 2.94Å; Q303-D553 VanDerWaalsContact OE1-N 3.16Å; D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 2.84Å; D553-E555 WeakPolarHBondContact OD1-CB 3.49Å; D553-E555 PolarHBondContact OD1-N 2.62Å; D553-P556 VanDerWaalsContact CG-CD 3.41Å; D553-P556 WeakPolarHBondContact O-CD 3.36Å
554	Y	89.3	Confident	86.1	Confident	107 Å²	107	94.3 Å²	94.3	42%	0.42	44%	0.441	S	S	.	.	H	α-helix	trans	-77	-10.1	173.1	-69.8	-81.5	0	0	0	113.4	R549 H552 F557 I558	R549-Y554 VanDerWaalsContact O-CE2 3.32Å; R549-Y554 WeakPolarHBondContact O-CE2 3.43Å; R549-Y554 PolarHBondContact O-OH 3.36Å; H552-Y554 HydrophobicContact CB-CE2 4.23Å; H552-Y554 AromaticContact CD2-CD1 3.92Å; H552-Y554 AromaticContact CD2-CE1 3.93Å; H552-Y554 WeakPolarHBondContact O-CD2 3.47Å; H552-Y554 PolarHBondContact O-N 2.71Å; Y554-F557 HydrophobicContact CD1-CD1 4.36Å; Y554-F557 PolarHBondContact O-N 2.87Å; Y554-I558 WeakPolarHBondContact O-CB 3.44Å; Y554-I558 WeakPolarHBondContact O-CD1 3.16Å; Y554-I558 WeakPolarHBondContact O-CG1 3.3Å; Y554-I558 PolarHBondContact O-N 3.31Å
555	E	87.3	Confident	86.8	Confident	99 Å²	99	94.5 Å²	94.5	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-59.7	-49.7	-176.3	179.5	175.5	-168.9	0	0	113.1	D553 F557 I558 R559	D553-E555 VanDerWaalsContact C-N 3.27Å; D553-E555 PolarHBondContact O-N 2.84Å; D553-E555 WeakPolarHBondContact OD1-CB 3.49Å; D553-E555 PolarHBondContact OD1-N 2.62Å; E555-F557 VanDerWaalsContact C-N 3.31Å; E555-F557 PolarHBondContact O-N 3.21Å; E555-I558 PolarHBondContact O-N 2.65Å; E555-R559 HydrophobicContact CG-CG 4.35Å; E555-R559 WeakPolarHBondContact O-CB 3.42Å; E555-R559 WeakPolarHBondContact O-CG 3.36Å; E555-R559 PolarHBondContact O-N 2.96Å; E555-R559 IonicContact OE1-CZ 2.74Å; E555-R559 IonicContact OE1-NE 3.45Å; E555-R559 PolarHBondContact OE1-NE 3.33Å; E555-R559 IonicContact OE1-NH2 3.2Å; E555-R559 PolarHBondContact OE1-NH2 3.48Å
556	P	90.5	Very high	87.4	Confident	70 Å²	70	94.4 Å²	94.4	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-60	-39.8	176.3	-24.4	34.7	0	0	0	113.1	D553 T560	D553-P556 VanDerWaalsContact CG-CD 3.41Å; D553-P556 WeakPolarHBondContact O-CD 3.36Å; P556-T560 WeakPolarHBondContact O-CB 3.48Å; P556-T560 PolarHBondContact O-N 2.67Å; P556-T560 PolarHBondContact O-OG1 3.38Å
557	F	92.1	Very high	88.2	Confident	125 Å²	125	94.5 Å²	94.5	55%	0.548	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-50.4	176.8	170.6	-101.1	0	0	0	111.2	Y554 E555 R559 T560 F561	Y554-F557 HydrophobicContact CD1-CD1 4.36Å; Y554-F557 PolarHBondContact O-N 2.87Å; E555-F557 VanDerWaalsContact C-N 3.31Å; E555-F557 PolarHBondContact O-N 3.21Å; F557-R559 PolarHBondContact O-N 3.22Å; F557-T560 PolarHBondContact O-N 2.98Å; F557-F561 WeakPolarHBondContact O-CB 3.28Å; F557-F561 PolarHBondContact O-N 2.86Å
558	I	92.9	Very high	89	Confident	85 Å²	85	96.7 Å²	96.7	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-46	179.7	-68.1	165	0	0	0	110.5	Y554 E555 T560 F561 L562	Y554-I558 WeakPolarHBondContact O-CB 3.44Å; Y554-I558 WeakPolarHBondContact O-CD1 3.16Å; Y554-I558 WeakPolarHBondContact O-CG1 3.3Å; Y554-I558 PolarHBondContact O-N 3.31Å; E555-I558 PolarHBondContact O-N 2.65Å; I558-T560 VanDerWaalsContact C-N 3.34Å; I558-T560 PolarHBondContact O-N 3.03Å; I558-F561 PolarHBondContact O-N 3.17Å; I558-L562 HydrophobicContact CG2-CD1 3.91Å; I558-L562 HydrophobicContact CG2-CG 4.32Å; I558-L562 WeakPolarHBondContact O-CB 3.48Å; I558-L562 VanDerWaalsContact O-CG 3.3Å; I558-L562 WeakPolarHBondContact O-CG 3.49Å; I558-L562 PolarHBondContact O-N 2.84Å
559	R	93	Very high	89.4	Confident	154 Å²	154	96 Å²	96	58%	0.581	45%	0.453	S	S	*	.	H	α-helix	trans	-57.9	-47.4	177	-75.6	178.6	177.7	-152.1	3.1	111.5	E555 F557 L562 L563	E555-R559 HydrophobicContact CG-CG 4.35Å; E555-R559 WeakPolarHBondContact O-CB 3.42Å; E555-R559 WeakPolarHBondContact O-CG 3.36Å; E555-R559 PolarHBondContact O-N 2.96Å; E555-R559 IonicContact OE1-CZ 2.74Å; E555-R559 IonicContact OE1-NE 3.45Å; E555-R559 PolarHBondContact OE1-NE 3.33Å; E555-R559 IonicContact OE1-NH2 3.2Å; E555-R559 PolarHBondContact OE1-NH2 3.48Å; F557-R559 PolarHBondContact O-N 3.22Å; R559-L562 PolarHBondContact O-N 3.35Å; R559-L563 WeakPolarHBondContact O-CB 3.38Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.28Å; R559-L563 PolarHBondContact O-N 2.81Å
560	T	94.5	Very high	89.6	Confident	93 Å²	93	97 Å²	97	57%	0.571	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-43	179.3	-55.9	0	0	0	0	111.6	P556 F557 I558 L563 R564	P556-T560 WeakPolarHBondContact O-CB 3.48Å; P556-T560 PolarHBondContact O-N 2.67Å; P556-T560 PolarHBondContact O-OG1 3.38Å; F557-T560 PolarHBondContact O-N 2.98Å; I558-T560 VanDerWaalsContact C-N 3.34Å; I558-T560 PolarHBondContact O-N 3.03Å; T560-L563 PolarHBondContact O-N 3.04Å; T560-R564 WeakPolarHBondContact O-CB 3.17Å; T560-R564 PolarHBondContact O-N 2.89Å
561	F	94.8	Very high	90	Very high	104 Å²	104	97.6 Å²	97.6	46%	0.456	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-47.5	177.1	-179.3	-107.2	0	0	0	111.8	F557 I558 R564 L565	F557-F561 WeakPolarHBondContact O-CB 3.28Å; F557-F561 PolarHBondContact O-N 2.86Å; I558-F561 PolarHBondContact O-N 3.17Å; F561-R564 PolarHBondContact O-N 3.34Å; F561-L565 HydrophobicContact CD1-CD1 4.02Å; F561-L565 HydrophobicContact CE1-CD1 3.56Å; F561-L565 HydrophobicContact CE1-CG 4.25Å; F561-L565 HydrophobicContact CZ-CD1 3.98Å; F561-L565 HydrophobicContact CZ-CD2 4.4Å; F561-L565 HydrophobicContact CZ-CG 4.31Å; F561-L565 WeakPolarHBondContact O-CG 3.47Å; F561-L565 PolarHBondContact O-N 3.24Å
562	L	94.4	Very high	90.4	Very high	96 Å²	96	102.3 Å²	102.3	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-44.1	176.8	-69.5	174.9	0	0	0	112.2	I558 R559 R564 L565 V566	I558-L562 HydrophobicContact CG2-CD1 3.91Å; I558-L562 HydrophobicContact CG2-CG 4.32Å; I558-L562 WeakPolarHBondContact O-CB 3.48Å; I558-L562 VanDerWaalsContact O-CG 3.3Å; I558-L562 WeakPolarHBondContact O-CG 3.49Å; I558-L562 PolarHBondContact O-N 2.84Å; R559-L562 PolarHBondContact O-N 3.35Å; L562-R564 PolarHBondContact O-N 3.49Å; L562-L565 HydrophobicContact CD2-CD1 4.46Å; L562-L565 PolarHBondContact O-N 2.84Å; L562-V566 WeakPolarHBondContact O-CG2 3.15Å; L562-V566 PolarHBondContact O-N 2.96Å
563	L	93.8	Very high	90.3	Very high	117 Å²	117	104.8 Å²	104.8	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-57.4	-40.7	173.9	-74.5	170.7	0	0	0	111.2	R559 T560 V566 D567	R559-L563 WeakPolarHBondContact O-CB 3.38Å; R559-L563 VanDerWaalsContact O-CG 3.29Å; R559-L563 WeakPolarHBondContact O-CG 3.28Å; R559-L563 PolarHBondContact O-N 2.81Å; T560-L563 PolarHBondContact O-N 3.04Å; L563-V566 PolarHBondContact O-N 3.1Å; L563-D567 PolarHBondContact O-N 3.01Å
564	R	92.7	Very high	89.7	Confident	115 Å²	115	108 Å²	108	43%	0.434	51%	0.513	S	S	.	.	H	α-helix	trans	-70.4	-34.7	179.9	-166.1	51.4	170.8	-179.7	-3.7	113.2	T560 F561 L562 D567 L568	T560-R564 WeakPolarHBondContact O-CB 3.17Å; T560-R564 PolarHBondContact O-N 2.89Å; F561-R564 PolarHBondContact O-N 3.34Å; L562-R564 PolarHBondContact O-N 3.49Å; R564-D567 IonicContact NH1-OD2 2.89Å; R564-D567 PolarHBondContact NH1-OD2 3.5Å; R564-D567 PolarHBondContact O-N 2.95Å; R564-L568 WeakPolarHBondContact O-CG 3.36Å; R564-L568 PolarHBondContact O-N 3.36Å; R564-L568 VanDerWaalsContact O-N 3.08Å
565	L	93.1	Very high	88.4	Confident	81 Å²	81	116 Å²	116	42%	0.424	54%	0.543	S	S	.	.	H	α-helix	trans	-62.6	-43.7	171.6	-71.8	176.6	0	0	0	111.6	F561 L562 D567 L568 E569	F561-L565 HydrophobicContact CD1-CD1 4.02Å; F561-L565 HydrophobicContact CE1-CD1 3.56Å; F561-L565 HydrophobicContact CE1-CG 4.25Å; F561-L565 HydrophobicContact CZ-CD1 3.98Å; F561-L565 HydrophobicContact CZ-CD2 4.4Å; F561-L565 HydrophobicContact CZ-CG 4.31Å; F561-L565 WeakPolarHBondContact O-CG 3.47Å; F561-L565 PolarHBondContact O-N 3.24Å; L562-L565 HydrophobicContact CD2-CD1 4.46Å; L562-L565 PolarHBondContact O-N 2.84Å; L565-D567 VanDerWaalsContact C-N 3.34Å; L565-D567 PolarHBondContact O-N 2.94Å; L565-L568 PolarHBondContact O-N 3.1Å; L565-E569 PolarHBondContact O-N 2.72Å
566	V	92.4	Very high	88.4	Confident	61 Å²	61	116.9 Å²	116.9	37%	0.37	55%	0.547	S	S	.	.	H	α-helix	trans	-62.4	-41	176.6	173.2	0	0	0	0	111.4	L562 L563 L568 E569 R570	L562-V566 WeakPolarHBondContact O-CG2 3.15Å; L562-V566 PolarHBondContact O-N 2.96Å; L563-V566 PolarHBondContact O-N 3.1Å; V566-L568 VanDerWaalsContact C-N 3.34Å; V566-L568 PolarHBondContact O-N 3.43Å; V566-E569 PolarHBondContact O-N 2.75Å; V566-R570 WeakPolarHBondContact O-CG 3.25Å; V566-R570 PolarHBondContact O-N 3.17Å
567	D	91.5	Very high	88.3	Confident	61 Å²	61	119.4 Å²	119.4	33%	0.326	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-40.1	175.2	-80.3	-10.7	0	0	0	112.7	L563 R564 L565 R570 R571	L563-D567 PolarHBondContact O-N 3.01Å; R564-D567 IonicContact NH1-OD2 2.89Å; R564-D567 PolarHBondContact NH1-OD2 3.5Å; R564-D567 PolarHBondContact O-N 2.95Å; L565-D567 VanDerWaalsContact C-N 3.34Å; L565-D567 PolarHBondContact O-N 2.94Å; D567-R570 PolarHBondContact O-N 3.11Å; D567-R571 VanDerWaalsContact O-CG 3.27Å; D567-R571 WeakPolarHBondContact O-CG 3.1Å; D567-R571 PolarHBondContact O-N 3.44Å
568	L	91.1	Very high	88.1	Confident	84 Å²	84	119.1 Å²	119.1	44%	0.44	55%	0.552	S	S	.	*	H	α-helix	trans	-65.4	-45.4	176.9	-72.2	171.1	0	0	0	111	R564 L565 V566 R570 R571 E572	R564-L568 WeakPolarHBondContact O-CG 3.36Å; R564-L568 PolarHBondContact O-N 3.36Å; R564-L568 VanDerWaalsContact O-N 3.08Å; L565-L568 PolarHBondContact O-N 3.1Å; V566-L568 VanDerWaalsContact C-N 3.34Å; V566-L568 PolarHBondContact O-N 3.43Å; L568-R570 VanDerWaalsContact C-N 3.31Å; L568-R570 PolarHBondContact O-N 3.23Å; L568-R571 PolarHBondContact O-N 2.77Å; L568-R571 VanDerWaalsContact O-N 3.14Å; L568-E572 PolarHBondContact O-N 2.91Å
569	E	89.7	Confident	87.8	Confident	96 Å²	96	121.1 Å²	121.1	45%	0.449	56%	0.558	S	S	.	*	H	α-helix	trans	-61.6	-39	176.8	-165.9	-170.4	166.8	0	0	111.8	L565 V566 E572 K573	L565-E569 PolarHBondContact O-N 2.72Å; V566-E569 PolarHBondContact O-N 2.75Å; E569-E572 PolarHBondContact O-N 3.41Å; E569-K573 WeakPolarHBondContact O-CG 3.01Å; E569-K573 PolarHBondContact O-N 3.16Å; E569-K573 VanDerWaalsContact OE1-CE 3.32Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 2.75Å; E569-K573 PolarHBondContact OE1-NZ 2.79Å
570	R	88.9	Confident	87.5	Confident	162 Å²	162	119 Å²	119	61%	0.611	56%	0.557	S	S	*	*	H	α-helix	trans	-64.2	-40.5	174.4	-75	174.7	176.6	-179.6	-1.3	112.3	V566 D567 L568 K573 C574	V566-R570 WeakPolarHBondContact O-CG 3.25Å; V566-R570 PolarHBondContact O-N 3.17Å; D567-R570 PolarHBondContact O-N 3.11Å; L568-R570 VanDerWaalsContact C-N 3.31Å; L568-R570 PolarHBondContact O-N 3.23Å; R570-K573 PolarHBondContact O-N 3.05Å; R570-C574 PolarHBondContact O-N 2.96Å; R570-C574 VanDerWaalsContact O-N 3.13Å; R570-C574 PolarHBondContact O-SG 3.46Å; R570-C574 VanDerWaalsContact O-SG 3.42Å
571	R	85.8	Confident	87.1	Confident	145 Å²	145	120.7 Å²	120.7	55%	0.547	56%	0.556	S	S	.	*	H	α-helix	trans	-68.4	-34.3	177.4	-72.7	170.7	-176.8	-155.2	-3.3	112.4	D567 L568 R575	D567-R571 VanDerWaalsContact O-CG 3.27Å; D567-R571 WeakPolarHBondContact O-CG 3.1Å; D567-R571 PolarHBondContact O-N 3.44Å; L568-R571 PolarHBondContact O-N 2.77Å; L568-R571 VanDerWaalsContact O-N 3.14Å; R571-R575 PolarHBondContact O-N 3.31Å
572	E	83.8	Confident	86.5	Confident	144 Å²	144	121.9 Å²	121.9	67%	0.673	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-35.9	173.8	-73.1	-177.6	170.9	0	0	112.1	L568 E569 C574 R575	L568-E572 PolarHBondContact O-N 2.91Å; E569-E572 PolarHBondContact O-N 3.41Å; E572-C574 VanDerWaalsContact C-N 3.35Å; E572-R575 PolarHBondContact O-N 3.09Å
573	K	81.3	Confident	85.9	Confident	152 Å²	152	123.9 Å²	123.9	66%	0.661	57%	0.568	S	S	*	*	H	α-helix	trans	-74.1	-20.9	175.2	-71.4	175.6	-174.2	168.3	0	114.3	E569 R570	E569-K573 WeakPolarHBondContact O-CG 3.01Å; E569-K573 PolarHBondContact O-N 3.16Å; E569-K573 VanDerWaalsContact OE1-CE 3.32Å; E569-K573 WeakPolarHBondContact OE1-CE 3.42Å; E569-K573 IonicContact OE1-NZ 2.75Å; E569-K573 PolarHBondContact OE1-NZ 2.79Å; R570-K573 PolarHBondContact O-N 3.05Å
574	C	71.9	Confident	85.3	Confident	118 Å²	118	124.5 Å²	124.5	80%	0.797	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-7.1	176	-72.2	0	0	0	0	113.6	R570 E572	R570-C574 PolarHBondContact O-N 2.96Å; R570-C574 VanDerWaalsContact O-N 3.13Å; R570-C574 PolarHBondContact O-SG 3.46Å; R570-C574 VanDerWaalsContact O-SG 3.42Å; E572-C574 VanDerWaalsContact C-N 3.35Å
575	R	61	Low	84.6	Confident	275 Å²	275	125.4 Å²	125.4	100%	1.038	58%	0.576	S	S	*	*			trans	-94.2	0	168.4	-74.8	-179	175.7	-167.8	-1.5	109.4	R571 E572	R571-R575 PolarHBondContact O-N 3.31Å; E572-R575 PolarHBondContact O-N 3.09Å

Retrieved 575 of 575 residues in 405.6 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).