A0A096NHF8_PAPAN Loading...

Serine/threonine-protein kinase PLK

AlphaFold DB , UniProt , Accession A0A096NHF8, Species PAPAN (Papio anubis, Olive baboon), Gene PLK1, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	29	Very low	243 Å²	243	130.5 Å²	130.5	100%	1.197	83%	0.834	S	S	*	*				0	127.1	0	-76.3	178.9	-177.7	0	0	107.6
2	S	26.1	Very low	29	Very low	127 Å²	127	140.8 Å²	140.8	89%	0.888	85%	0.845	S	S	*	*			trans	20.3	141	163.2	-74	0	0	0	0	120.1
3	A	27.2	Very low	29.3	Very low	85 Å²	85	137 Å²	137	70%	0.702	84%	0.837	S	S	*	*			cis	-169.8	139.6	6	0	0	0	0	0	105
4	A	26.5	Very low	30.2	Very low	92 Å²	92	136.1 Å²	136.1	76%	0.76	84%	0.836	S	S	*	*				63.4	133.9	89.8	0	0	0	0	0	111.7
5	V	29.4	Very low	30.2	Very low	121 Å²	121	133.7 Å²	133.7	73%	0.733	84%	0.835	S	S	*	*			cis	-176.7	132.6	28.9	134.5	0	0	0	0	104.5
6	T	27.1	Very low	30.4	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	83%	0.833	S	S	*	*				59.7	146	100.5	-10.5	0	0	0	0	113.5
7	A	29.2	Very low	31.1	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	83%	0.826	S	S	*	*			cis	-162.8	175.9	13.3	0	0	0	0	0	104.8
8	G	27.9	Very low	31.1	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	82%	0.821	S	S	*	*			cis	172.5	166.6	22.8	0	0	0	0	0	110.1
9	K	29.9	Very low	31.2	Very low	201 Å²	201	134.5 Å²	134.5	87%	0.874	83%	0.828	S	S	*	*			trans	-60.6	158.4	-172.4	-68.5	162.5	167.3	175.1	0	115.3
10	L	30.3	Very low	31.4	Very low	183 Å²	183	133.2 Å²	133.2	96%	0.958	83%	0.831	S	S	*	*				-158.7	141	126.1	-103.5	141.4	0	0	0	111
11	A	31.1	Very low	31.3	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	83%	0.827	S	S	*	*			trans	-127.5	146.7	-176.1	0	0	0	0	0	110.6
12	R	29.4	Very low	31.5	Very low	254 Å²	254	125.3 Å²	125.3	96%	0.958	81%	0.81	S	S	*	*			trans	154	147.7	157.2	-96.4	178.8	165.4	-173.1	-3.9	107.1
13	A	32.4	Very low	31.9	Very low	91 Å²	91	125 Å²	125	75%	0.752	81%	0.805	S	S	*	*			cis	-167.6	173.8	-6	0	0	0	0	0	106
14	P	43	Very low	32.2	Very low	125 Å²	125	124.7 Å²	124.7	81%	0.812	81%	0.81	S	S	*	*			trans	-106.4	174.3	-160.1	39.2	-32.1	0	0	0	117.5
15	A	29.8	Very low	32.7	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	82%	0.816	S	S	*	*			trans	80.1	143.2	166.9	0	0	0	0	0	116.6
16	D	32.7	Very low	33	Very low	150 Å²	150	125.8 Å²	125.8	80%	0.802	82%	0.816	S	S	*	*			cis	-162.1	-156.9	19.8	-162	17.3	0	0	0	110.1
17	P	43.1	Very low	33.6	Very low	109 Å²	109	124 Å²	124	71%	0.708	81%	0.814	S	S	*	*				-111.4	168.1	-111.7	36.4	-18.1	0	0	0	117
18	G	30.5	Very low	34.1	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	82%	0.816	S	S	*	*			trans	108.6	112.8	146.2	0	0	0	0	0	118.2
19	K	34.1	Very low	34.6	Very low	219 Å²	219	125.3 Å²	125.3	95%	0.952	81%	0.813	S	S	*	*				179.5	136.3	124.5	-99.5	173.5	-176.3	-179.6	0	111.6
20	A	35	Very low	35.2	Very low	108 Å²	108	120.1 Å²	120.1	89%	0.893	81%	0.808	S	S	*	*			trans	-86	160.3	-178.1	0	0	0	0	0	113.7
21	G	29.5	Very low	35.8	Very low	73 Å²	73	117.4 Å²	117.4	75%	0.753	80%	0.802	S	S	*	*			trans	118.1	125.9	171.8	0	0	0	0	0	111
22	V	36.6	Very low	36.3	Very low	137 Å²	137	117.9 Å²	117.9	83%	0.83	81%	0.805	S	S	*	*			cis	-158.9	151.5	29.9	174.8	0	0	0	0	107.4	G24	V22-G24 PolarHBondContact O-N 3.47Å
23	P	34.4	Very low	37	Very low	122 Å²	122	110.3 Å²	110.3	79%	0.792	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.9	125.4	-179.8	-12.6	27.5	0	0	0	111.7
24	G	34.2	Very low	37.6	Very low	77 Å²	77	110.1 Å²	110.1	79%	0.794	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.1	132	174.2	0	0	0	0	0	112	V22 A26	V22-G24 PolarHBondContact O-N 3.47Å; G24-A26 PolarHBondContact O-N 3.44Å
25	V	37.3	Very low	38.1	Very low	146 Å²	146	109.6 Å²	109.6	89%	0.885	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.3	172.3	-179.3	0	0	0	0	109.2	A27	V25-A27 PolarHBondContact O-N 3.16Å
26	A	36.1	Very low	39.4	Very low	90 Å²	90	110.8 Å²	110.8	74%	0.744	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.8	175.7	0	0	0	0	0	110.6	G24	G24-A26 PolarHBondContact O-N 3.44Å
27	A	39.9	Very low	40.9	Very low	87 Å²	87	108.3 Å²	108.3	72%	0.719	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.6	145.2	172.7	0	0	0	0	0	110.7	V25 G29	V25-A27 PolarHBondContact O-N 3.16Å; A27-G29 PolarHBondContact O-N 3.44Å
28	P	39.5	Very low	42.7	Very low	129 Å²	129	109.3 Å²	109.3	84%	0.838	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.8	127.5	178.4	-2.2	14.1	0	0	0	109.4
29	G	37.8	Very low	45.6	Very low	70 Å²	70	114.4 Å²	114.4	72%	0.722	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-53.8	140.8	178.6	0	0	0	0	0	112.1	A27	A27-G29 PolarHBondContact O-N 3.44Å
30	A	42.2	Very low	48.4	Very low	93 Å²	93	105 Å²	105	77%	0.769	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-49.7	142.7	169.4	0	0	0	0	0	110.2	A32	A30-A32 PolarHBondContact O-N 3.19Å; A30-A32 VanDerWaalsContact O-N 3.14Å
31	P	42.5	Very low	51.2	Low	126 Å²	126	102 Å²	102	82%	0.818	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.3	124.7	177.5	22.6	-30.7	0	0	0	109	A33	P31-A33 PolarHBondContact O-N 2.91Å
32	A	41.8	Very low	54.3	Low	97 Å²	97	105.4 Å²	105.4	80%	0.802	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-50.7	127.1	174.9	0	0	0	0	0	109.2	A30 A34	A30-A32 PolarHBondContact O-N 3.19Å; A30-A32 VanDerWaalsContact O-N 3.14Å; A32-A34 PolarHBondContact O-N 3.45Å
33	A	44.8	Very low	57.1	Low	96 Å²	96	102.1 Å²	102.1	79%	0.793	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-53.5	131	175.3	0	0	0	0	0	109.1	P31	P31-A33 PolarHBondContact O-N 2.91Å
34	A	45.8	Very low	60.1	Low	87 Å²	87	96.4 Å²	96.4	72%	0.719	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.2	139.9	176.7	0	0	0	0	0	109.6	A32	A32-A34 PolarHBondContact O-N 3.45Å
35	P	52.7	Low	63.1	Low	114 Å²	114	96.7 Å²	96.7	74%	0.74	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.1	177	21.6	-30.8	0	0	0	110.1	A37	P35-A37 PolarHBondContact O-N 3.26Å
36	P	56.3	Low	66	Low	125 Å²	125	90.6 Å²	90.6	81%	0.812	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-57.3	134.8	-179	22.4	-31.5	0	0	0	110	K38	P36-K38 PolarHBondContact O-N 2.89Å
37	A	64.3	Low	68.7	Low	97 Å²	97	90.8 Å²	90.8	80%	0.802	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-62.4	120.9	-179.3	0	0	0	0	0	109.5	P35	P35-A37 PolarHBondContact O-N 3.26Å
38	K	82.3	Confident	71.4	Confident	130 Å²	130	97 Å²	97	57%	0.565	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-61.3	137.6	174.4	-76.1	-173.7	172	-174.2	0	110.4	P36 D124 F125	P36-K38 PolarHBondContact O-N 2.89Å; K38-D124 HydrophobicContact CD-CB 4.07Å; K38-D124 WeakPolarHBondContact CD-OD1 3.38Å; K38-D124 VanDerWaalsContact CD-OD2 3.32Å; K38-D124 WeakPolarHBondContact CD-OD2 3.08Å; K38-D124 WeakPolarHBondContact CE-OD1 3.03Å; K38-D124 IonicContact NZ-OD1 3.39Å; K38-D124 PolarHBondContact NZ-OD1 2.75Å; K38-D124 IonicContact NZ-OD2 3.59Å; K38-D124 PolarHBondContact NZ-OD2 3.15Å; K38-F125 HydrophobicContact CB-CZ 4.27Å
39	E	90.1	Very high	74	Confident	179 Å²	179	93.5 Å²	93.5	84%	0.836	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-75.7	147.5	179.5	-67.3	-174.3	178.1	0	0	111.6	F125	E39-F125 WeakPolarHBondContact O-CE2 3.44Å; E39-F125 WeakPolarHBondContact O-CZ 3.22Å
40	I	92.8	Very high	76.7	Confident	22 Å²	22	100.4 Å²	100.4	11%	0.113	59%	0.59	C	S	.	*	P	Polyproline II helix	trans	-79	127.1	177.5	-64.8	174.4	0	0	0	108.4	R55 K66 F68 I83 F125	I40-R55 PolarHBondContact O-NH2 3.05Å; I40-K66 HydrophobicContact CD1-CB 4.14Å; I40-K66 HydrophobicContact CD1-CD 3.83Å; I40-F68 HydrophobicContact CD1-CE2 3.73Å; I40-F68 HydrophobicContact CD1-CZ 4.29Å; I40-I83 HydrophobicContact CD1-CB 4.36Å; I40-I83 HydrophobicContact CD1-CG2 4.1Å; I40-I83 HydrophobicContact CG1-CG2 4.32Å; I40-I83 HydrophobicContact CG2-CD1 3.54Å; I40-I83 HydrophobicContact CG2-CG2 4.23Å; I40-F125 HydrophobicContact CG1-CD1 4.4Å; I40-F125 HydrophobicContact CG1-CE1 3.75Å; I40-F125 HydrophobicContact CG1-CZ 3.95Å
41	P	93.8	Very high	79.2	Confident	44 Å²	44	101 Å²	101	29%	0.286	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-54.2	148.9	-179.9	-25.1	33	0	0	0	113.3	L44 R55	P41-L44 HydrophobicContact CB-CD2 4.2Å; P41-R55 PolarHBondContact O-NE 2.99Å
42	E	94.7	Very high	81.8	Confident	146 Å²	146	100.4 Å²	100.4	68%	0.682	55%	0.554	S	S	*	*	S	Bend	trans	-74.2	-30	172.2	-67	-170.7	168.1	0	0	112.5	R55	E42-R55 VanDerWaalsContact O-CB 3.27Å; E42-R55 WeakPolarHBondContact O-CB 3.31Å; E42-R55 PolarHBondContact O-N 3.31Å
43	V	96.8	Very high	84.5	Confident	67 Å²	67	96 Å²	96	41%	0.406	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.8	175.6	-176.6	0	0	0	0	108.7	V45 R52 Y53	V43-V45 HydrophobicContact CG1-CG2 4.23Å; V43-R52 HydrophobicContact CG1-CB 4.25Å; V43-Y53 WeakPolarHBondContact CA-O 3.33Å
44	L	97.1	Very high	87.1	Confident	3 Å²	3	94.7 Å²	94.7	2%	0.016	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.9	179.3	-37.9	175	0	0	0	108.1	P41 R52 Y53 I70 I83 F120 F127	P41-L44 HydrophobicContact CB-CD2 4.2Å; L44-R52 CarbonylContact O-C 3.52Å; L44-R52 WeakPolarHBondContact O-CA 3.49Å; L44-Y53 PolarHBondContact N-O 3.14Å; L44-Y53 PolarHBondContact O-N 3.2Å; L44-I70 HydrophobicContact CD1-CG2 3.85Å; L44-I83 HydrophobicContact CD1-CD1 4.07Å; L44-I83 HydrophobicContact CD2-CD1 4.41Å; L44-F120 HydrophobicContact CB-CE2 4Å; L44-F120 HydrophobicContact CB-CZ 3.74Å; L44-F127 HydrophobicContact CD1-CD1 4.04Å; L44-F127 HydrophobicContact CD1-CE1 4.46Å; L44-F127 HydrophobicContact CD2-CD1 4.07Å; L44-F127 HydrophobicContact CD2-CE1 3.64Å; L44-F127 HydrophobicContact CD2-CZ 4.33Å; L44-F127 HydrophobicContact CG-CD1 4.46Å; L44-F127 HydrophobicContact CG-CE1 4.46Å
45	V	97.1	Very high	89.5	Confident	82 Å²	82	93.9 Å²	93.9	50%	0.497	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.6	-175.6	-175.3	0	0	0	0	109.5	V43 P47 R52	V43-V45 HydrophobicContact CG1-CG2 4.23Å; V45-P47 WeakPolarHBondContact O-CD 3.28Å; V45-R52 HydrophobicContact CG1-CG 4.41Å; V45-R52 HydrophobicContact CG2-CG 4.29Å
46	D	96.9	Very high	91.3	Very high	18 Å²	18	90.1 Å²	90.1	10%	0.096	46%	0.458	C	S	.	.			trans	-91.2	108.9	168.9	177.8	0.4	0	0	0	109.2	R48 S49 R50 R51 F120	D46-R48 PolarHBondContact O-N 3.5Å; D46-R48 WeakPolarHBondContact OD1-CB 3.46Å; D46-R48 PolarHBondContact OD1-N 3.07Å; D46-S49 WeakPolarHBondContact CB-OG 3.27Å; D46-S49 PolarHBondContact OD1-N 3.09Å; D46-S49 VanDerWaalsContact OD2-CB 3.28Å; D46-S49 WeakPolarHBondContact OD2-CB 3.24Å; D46-S49 PolarHBondContact OD2-OG 3.01Å; D46-R50 VanDerWaalsContact O-CA 3.22Å; D46-R50 WeakPolarHBondContact O-CA 3.45Å; D46-R50 PolarHBondContact O-N 3.1Å; D46-R51 PolarHBondContact N-O 2.81Å; D46-F120 HydrophobicContact CB-CB 4.12Å; D46-F120 HydrophobicContact CB-CD1 3.73Å; D46-F120 HydrophobicContact CB-CD2 4.17Å; D46-F120 HydrophobicContact CB-CE1 4.16Å; D46-F120 HydrophobicContact CB-CG 3.75Å
47	P	94.5	Very high	92.7	Very high	95 Å²	95	89.6 Å²	89.6	62%	0.617	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.6	-177.7	28.6	-35.1	0	0	0	113.1	V45	V45-P47 WeakPolarHBondContact O-CD 3.28Å
48	R	95.1	Very high	93.6	Very high	217 Å²	217	89.3 Å²	89.3	82%	0.819	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-50	-177.1	-63	-178.2	-176.8	-174.1	2.2	111.5	D46 R50	D46-R48 PolarHBondContact O-N 3.5Å; D46-R48 WeakPolarHBondContact OD1-CB 3.46Å; D46-R48 PolarHBondContact OD1-N 3.07Å; R48-R50 VanDerWaalsContact C-N 3.34Å
49	S	93.9	Very high	93.7	Very high	56 Å²	56	85.6 Å²	85.6	39%	0.392	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.6	178	67.2	0	0	0	0	113.4	D46 R51	D46-S49 WeakPolarHBondContact CB-OG 3.27Å; D46-S49 PolarHBondContact OD1-N 3.09Å; D46-S49 VanDerWaalsContact OD2-CB 3.28Å; D46-S49 WeakPolarHBondContact OD2-CB 3.24Å; D46-S49 PolarHBondContact OD2-OG 3.01Å; S49-R51 PolarHBondContact O-N 2.69Å; S49-R51 WeakPolarHBondContact OG-CB 3.42Å; S49-R51 PolarHBondContact OG-N 3.34Å
50	R	94.6	Very high	93.3	Very high	215 Å²	215	78.2 Å²	78.2	81%	0.811	38%	0.379	S	S	*	.			trans	59.1	16.6	-171.7	-57.9	-176.4	175.6	-178.7	-1.2	113.9	D46 R48	D46-R50 VanDerWaalsContact O-CA 3.22Å; D46-R50 WeakPolarHBondContact O-CA 3.45Å; D46-R50 PolarHBondContact O-N 3.1Å; R48-R50 VanDerWaalsContact C-N 3.34Å
51	R	95.8	Very high	92.7	Very high	105 Å²	105	84.7 Å²	84.7	40%	0.396	41%	0.406	S	S	.	.			trans	-78.6	147.3	175.2	-68.4	-175.4	179.1	-179.7	-2	111.1	D46 S49 Y53	D46-R51 PolarHBondContact N-O 2.81Å; S49-R51 PolarHBondContact O-N 2.69Å; S49-R51 WeakPolarHBondContact OG-CB 3.42Å; S49-R51 PolarHBondContact OG-N 3.34Å; R51-Y53 HydrophobicContact CB-CE2 3.84Å; R51-Y53 VanDerWaalsContact CD-OH 3.23Å; R51-Y53 WeakPolarHBondContact CD-OH 3.2Å
52	R	97.6	Very high	91.8	Very high	114 Å²	114	84.6 Å²	84.6	43%	0.43	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.5	175.9	-59.3	174.5	-63.2	141.4	5.5	108.4	V43 L44 V45 A73 D74	V43-R52 HydrophobicContact CG1-CB 4.25Å; L44-R52 CarbonylContact O-C 3.52Å; L44-R52 WeakPolarHBondContact O-CA 3.49Å; V45-R52 HydrophobicContact CG1-CG 4.41Å; V45-R52 HydrophobicContact CG2-CG 4.29Å; R52-A73 HydrophobicContact CB-CB 4Å; R52-A73 WeakPolarHBondContact O-CB 3.31Å; R52-A73 PolarHBondContact O-N 3.37Å; R52-D74 IonicContact NH2-OD1 3.9Å; R52-D74 PolarHBondContact NH2-OD1 2.57Å
53	Y	98.2	Very high	91	Very high	4 Å²	4	81 Å²	81	2%	0.016	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.1	178.6	-57.3	-87.2	0	0	0	109.9	V43 L44 R51 I70 S71 D72 F79 F120 V129	V43-Y53 WeakPolarHBondContact CA-O 3.33Å; L44-Y53 PolarHBondContact N-O 3.14Å; L44-Y53 PolarHBondContact O-N 3.2Å; R51-Y53 HydrophobicContact CB-CE2 3.84Å; R51-Y53 VanDerWaalsContact CD-OH 3.23Å; R51-Y53 WeakPolarHBondContact CD-OH 3.2Å; Y53-I70 HydrophobicContact CD1-CD1 4.15Å; Y53-I70 HydrophobicContact CD1-CG1 4.34Å; Y53-I70 HydrophobicContact CG-CD1 4.14Å; Y53-S71 CarbonylContact C-O 3.55Å; Y53-S71 WeakPolarHBondContact CA-O 3.4Å; Y53-D72 HydrophobicContact CD1-CB 4.12Å; Y53-D72 HydrophobicContact CE1-CB 4.07Å; Y53-F79 HydrophobicContact CD1-CD2 4.3Å; Y53-F79 AromaticContact CE1-CD2 3.97Å; Y53-F79 HydrophobicContact CE1-CD2 3.97Å; Y53-F79 HydrophobicContact CE1-CE2 4.04Å; Y53-F120 HydrophobicContact CD2-CE1 4.06Å; Y53-F120 HydrophobicContact CD2-CZ 4.09Å; Y53-F120 AromaticContact CE2-CE1 3.95Å; Y53-F120 HydrophobicContact CE2-CE1 3.95Å; Y53-F120 HydrophobicContact CE2-CZ 4.42Å; Y53-V129 HydrophobicContact CE1-CG1 4.27Å; Y53-V129 HydrophobicContact CE2-CG2 4.2Å
54	V	97.8	Very high	90.2	Very high	69 Å²	69	83.1 Å²	83.1	42%	0.418	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.5	173.9	-176.8	0	0	0	0	108.5	G56 I70 S71 A73	V54-G56 PolarHBondContact O-N 3.4Å; V54-I70 CarbonylContact O-C 3.59Å; V54-I70 WeakPolarHBondContact O-CA 3.35Å; V54-S71 PolarHBondContact N-O 2.69Å; V54-S71 PolarHBondContact O-N 2.92Å; V54-A73 HydrophobicContact CG2-CB 4.36Å
55	R	96.5	Very high	89.8	Confident	70 Å²	70	83.1 Å²	83.1	26%	0.264	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.2	177.4	-176.4	170.9	59.8	76.8	-4.4	109.7	I40 P41 E42 F68	I40-R55 PolarHBondContact O-NH2 3.05Å; P41-R55 PolarHBondContact O-NE 2.99Å; E42-R55 VanDerWaalsContact O-CB 3.27Å; E42-R55 WeakPolarHBondContact O-CB 3.31Å; E42-R55 PolarHBondContact O-N 3.31Å; R55-F68 HydrophobicContact CG-CB 4Å; R55-F68 HydrophobicContact CG-CD1 3.86Å; R55-F68 HydrophobicContact CG-CG 3.9Å
56	G	91.4	Very high	89.5	Confident	34 Å²	34	84 Å²	84	35%	0.351	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-145.6	175.1	0	0	0	0	0	112.5	V54 E69	V54-G56 PolarHBondContact O-N 3.4Å; G56-E69 WeakPolarHBondContact CA-O 3.5Å; G56-E69 PolarHBondContact N-O 2.96Å
57	R	85	Confident	89.3	Confident	115 Å²	115	84.8 Å²	84.8	43%	0.434	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	148.1	-174.7	66.4	-179.1	178.8	166.1	2.7	112.7	F68 E69	R57-F68 CarbonylContact O-C 3.57Å; R57-F68 WeakPolarHBondContact O-CA 3.42Å; R57-E69 HydrophobicContact CG-CB 4.14Å; R57-E69 HydrophobicContact CG-CG 3.79Å; R57-E69 WeakPolarHBondContact CG-OE2 3.34Å; R57-E69 IonicContact CZ-OE1 3.83Å; R57-E69 IonicContact CZ-OE2 3.54Å; R57-E69 IonicContact NE-OE1 3.54Å; R57-E69 PolarHBondContact NE-OE1 3.43Å; R57-E69 IonicContact NE-OE2 3.38Å; R57-E69 PolarHBondContact NE-OE2 2.86Å; R57-E69 IonicContact NH2-OE1 3.6Å; R57-E69 PolarHBondContact NH2-OE1 2.92Å; R57-E69 PolarHBondContact O-N 3.24Å
58	F	84.4	Confident	89.3	Confident	90 Å²	90	81.1 Å²	81.1	40%	0.395	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132	171.5	-179.2	-117.9	0	0	0	110.8	G60 K61 K66 C67 F68	F58-G60 VanDerWaalsContact CE2-C 3.49Å; F58-G60 WeakPolarHBondContact CE2-O 3.48Å; F58-G60 VanDerWaalsContact CZ-CA 3.44Å; F58-G60 WeakPolarHBondContact CZ-O 3.3Å; F58-K61 HydrophobicContact CZ-CB 4.28Å; F58-K66 HydrophobicContact CE2-CB 4.17Å; F58-K66 HydrophobicContact CE2-CG 4.39Å; F58-C67 VanDerWaalsContact CD2-O 3.3Å; F58-C67 WeakPolarHBondContact CD2-O 3.38Å; F58-F68 HydrophobicContact CB-CD1 3.99Å; F58-F68 HydrophobicContact CB-CE1 3.78Å; F58-F68 HydrophobicContact CD2-CD1 4.07Å; F58-F68 HydrophobicContact CD2-CD2 4.49Å; F58-F68 AromaticContact CD2-CE1 3.62Å; F58-F68 HydrophobicContact CD2-CE1 3.62Å; F58-F68 HydrophobicContact CD2-CE2 4.1Å; F58-F68 HydrophobicContact CD2-CG 4.48Å; F58-F68 AromaticContact CD2-CZ 3.64Å; F58-F68 HydrophobicContact CD2-CZ 3.64Å; F58-F68 HydrophobicContact CE2-CZ 4.31Å; F58-F68 HydrophobicContact CG-CE1 4.15Å
59	L	84.6	Confident	89.3	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.277	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-32.4	179.8	-66.6	176.7	0	0	0	112.4	C67 E69 A80 L132	L59-C67 HydrophobicContact CB-CB 4.16Å; L59-C67 PolarHBondContact N-O 2.88Å; L59-E69 HydrophobicContact CD1-CG 4Å; L59-E69 HydrophobicContact CD2-CG 3.7Å; L59-E69 HydrophobicContact CG-CG 3.98Å; L59-A80 HydrophobicContact CD1-CB 4.14Å; L59-L132 HydrophobicContact CD1-CD1 3.86Å
60	G	80.9	Confident	89.5	Confident	23 Å²	23	69.3 Å²	69.3	24%	0.237	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	178.6	-179.2	0	0	0	0	0	113.8	F58 C67	F58-G60 VanDerWaalsContact CE2-C 3.49Å; F58-G60 WeakPolarHBondContact CE2-O 3.48Å; F58-G60 VanDerWaalsContact CZ-CA 3.44Å; F58-G60 WeakPolarHBondContact CZ-O 3.3Å; G60-C67 PolarHBondContact N-O 2.84Å; G60-C67 PolarHBondContact O-N 3.22Å
61	K	80.2	Confident	89.6	Confident	159 Å²	159	60.9 Å²	60.9	69%	0.691	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.8	177.7	-174.1	-178.5	177.7	-177.1	0	110	F58 A65	F58-K61 HydrophobicContact CZ-CB 4.28Å; K61-A65 WeakPolarHBondContact CA-O 3.37Å; K61-A65 WeakPolarHBondContact CG-O 3.16Å
62	G	74.1	Confident	89.7	Confident	42 Å²	42	56 Å²	56	43%	0.433	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	113.3	177.2	0	0	0	0	0	110.8	F64 A65	G62-F64 PolarHBondContact O-N 3.44Å; G62-A65 PolarHBondContact N-O 3.5Å; G62-A65 WeakPolarHBondContact O-CB 3.44Å; G62-A65 PolarHBondContact O-N 2.89Å
63	G	79.1	Confident	89.6	Confident	69 Å²	69	51.3 Å²	51.3	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-120.2	-174.4	0	0	0	0	0	112.1
64	F	80.3	Confident	89.5	Confident	113 Å²	113	55.8 Å²	55.8	50%	0.496	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.9	176.5	-54.6	-58.2	0	0	0	113.9	G62 V84 P85 L88	G62-F64 PolarHBondContact O-N 3.44Å; F64-V84 HydrophobicContact CB-CG1 4.19Å; F64-P85 WeakPolarHBondContact O-CD 3.46Å; F64-L88 HydrophobicContact CB-CB 4.32Å; F64-L88 HydrophobicContact CB-CD1 3.92Å; F64-L88 HydrophobicContact CD1-CB 4.22Å; F64-L88 HydrophobicContact CD1-CD1 4.07Å; F64-L88 HydrophobicContact CG-CB 4.35Å; F64-L88 HydrophobicContact CG-CD1 4.4Å
65	A	88.8	Confident	89.4	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.025	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	145	-173.1	0	0	0	0	0	112.8	K61 G62 K82 I83 V84	K61-A65 WeakPolarHBondContact CA-O 3.37Å; K61-A65 WeakPolarHBondContact CG-O 3.16Å; G62-A65 PolarHBondContact N-O 3.5Å; G62-A65 WeakPolarHBondContact O-CB 3.44Å; G62-A65 PolarHBondContact O-N 2.89Å; A65-K82 HydrophobicContact CB-CD 4.2Å; A65-K82 HydrophobicContact CB-CG 3.59Å; A65-I83 WeakPolarHBondContact CA-O 3.14Å; A65-V84 HydrophobicContact CB-CG2 3.75Å
66	K	90.2	Very high	89.4	Confident	99 Å²	99	60.4 Å²	60.4	43%	0.43	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.4	161.3	-68.6	-175	177.9	-177.1	0	108.6	I40 F58 F68 I83	I40-K66 HydrophobicContact CD1-CB 4.14Å; I40-K66 HydrophobicContact CD1-CD 3.83Å; F58-K66 HydrophobicContact CE2-CB 4.17Å; F58-K66 HydrophobicContact CE2-CG 4.39Å; K66-F68 HydrophobicContact CB-CD2 4.44Å; K66-F68 HydrophobicContact CB-CE2 3.7Å; K66-F68 HydrophobicContact CB-CZ 4.47Å; K66-F68 HydrophobicContact CD-CE2 4.47Å; K66-I83 PolarHBondContact N-O 3.1Å; K66-I83 PolarHBondContact O-N 3.08Å
67	C	93.2	Very high	89.5	Confident	35 Å²	35	63.8 Å²	63.8	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.8	-179.9	-61.5	0	0	0	0	110.4	F58 L59 G60 G81	F58-C67 VanDerWaalsContact CD2-O 3.3Å; F58-C67 WeakPolarHBondContact CD2-O 3.38Å; L59-C67 HydrophobicContact CB-CB 4.16Å; L59-C67 PolarHBondContact N-O 2.88Å; G60-C67 PolarHBondContact N-O 2.84Å; G60-C67 PolarHBondContact O-N 3.22Å; C67-G81 VanDerWaalsContact CA-O 3.29Å; C67-G81 WeakPolarHBondContact CA-O 3.08Å
68	F	93.8	Very high	90.1	Very high	18 Å²	18	60 Å²	60	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.1	177.7	-66.4	-94.9	0	0	0	110.1	I40 R55 R57 F58 K66 I70 A80 G81 I83	I40-F68 HydrophobicContact CD1-CE2 3.73Å; I40-F68 HydrophobicContact CD1-CZ 4.29Å; R55-F68 HydrophobicContact CG-CB 4Å; R55-F68 HydrophobicContact CG-CD1 3.86Å; R55-F68 HydrophobicContact CG-CG 3.9Å; R57-F68 CarbonylContact O-C 3.57Å; R57-F68 WeakPolarHBondContact O-CA 3.42Å; F58-F68 HydrophobicContact CB-CD1 3.99Å; F58-F68 HydrophobicContact CB-CE1 3.78Å; F58-F68 HydrophobicContact CD2-CD1 4.07Å; F58-F68 HydrophobicContact CD2-CD2 4.49Å; F58-F68 AromaticContact CD2-CE1 3.62Å; F58-F68 HydrophobicContact CD2-CE1 3.62Å; F58-F68 HydrophobicContact CD2-CE2 4.1Å; F58-F68 HydrophobicContact CD2-CG 4.48Å; F58-F68 AromaticContact CD2-CZ 3.64Å; F58-F68 HydrophobicContact CD2-CZ 3.64Å; F58-F68 HydrophobicContact CE2-CZ 4.31Å; F58-F68 HydrophobicContact CG-CE1 4.15Å; K66-F68 HydrophobicContact CB-CD2 4.44Å; K66-F68 HydrophobicContact CB-CE2 3.7Å; K66-F68 HydrophobicContact CB-CZ 4.47Å; K66-F68 HydrophobicContact CD-CE2 4.47Å; F68-I70 HydrophobicContact CB-CG2 4.36Å; F68-A80 CarbonylContact O-C 3.59Å; F68-G81 PolarHBondContact N-O 2.75Å; F68-G81 PolarHBondContact O-N 2.66Å; F68-I83 HydrophobicContact CD2-CD1 3.83Å; F68-I83 HydrophobicContact CD2-CG1 4.48Å; F68-I83 HydrophobicContact CE2-CD1 4.34Å
69	E	95.3	Very high	90.7	Very high	23 Å²	23	56 Å²	56	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.7	155.9	-68.3	-169.4	168.7	0	0	108.5	G56 R57 L59 V78 F79 L132	G56-E69 WeakPolarHBondContact CA-O 3.5Å; G56-E69 PolarHBondContact N-O 2.96Å; R57-E69 HydrophobicContact CG-CB 4.14Å; R57-E69 HydrophobicContact CG-CG 3.79Å; R57-E69 WeakPolarHBondContact CG-OE2 3.34Å; R57-E69 IonicContact CZ-OE1 3.83Å; R57-E69 IonicContact CZ-OE2 3.54Å; R57-E69 IonicContact NE-OE1 3.54Å; R57-E69 PolarHBondContact NE-OE1 3.43Å; R57-E69 IonicContact NE-OE2 3.38Å; R57-E69 PolarHBondContact NE-OE2 2.86Å; R57-E69 IonicContact NH2-OE1 3.6Å; R57-E69 PolarHBondContact NH2-OE1 2.92Å; R57-E69 PolarHBondContact O-N 3.24Å; L59-E69 HydrophobicContact CD1-CG 4Å; L59-E69 HydrophobicContact CD2-CG 3.7Å; L59-E69 HydrophobicContact CG-CG 3.98Å; E69-V78 HydrophobicContact CB-CG1 4.21Å; E69-F79 WeakPolarHBondContact CA-O 3.4Å; E69-L132 HydrophobicContact CG-CD1 4.12Å; E69-L132 HydrophobicContact CG-CD2 4.19Å
70	I	97.7	Very high	91.3	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.2	173.9	65.6	175.8	0	0	0	107.7	L44 Y53 V54 F68 V78 F79 V129	L44-I70 HydrophobicContact CD1-CG2 3.85Å; Y53-I70 HydrophobicContact CD1-CD1 4.15Å; Y53-I70 HydrophobicContact CD1-CG1 4.34Å; Y53-I70 HydrophobicContact CG-CD1 4.14Å; V54-I70 CarbonylContact O-C 3.59Å; V54-I70 WeakPolarHBondContact O-CA 3.35Å; F68-I70 HydrophobicContact CB-CG2 4.36Å; I70-V78 WeakPolarHBondContact O-CA 3.38Å; I70-F79 HydrophobicContact CD1-CB 4.31Å; I70-F79 HydrophobicContact CG1-CB 3.79Å; I70-F79 PolarHBondContact N-O 2.77Å; I70-F79 PolarHBondContact O-N 2.95Å; I70-V129 HydrophobicContact CD1-CB 4.46Å; I70-V129 HydrophobicContact CD1-CG1 4.11Å; I70-V129 HydrophobicContact CD1-CG2 4.01Å
71	S	97.6	Very high	92.1	Very high	38 Å²	38	53.2 Å²	53.2	27%	0.266	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.4	-179.2	-54.3	0	0	0	0	109.2	Y53 V54 A73 E77	Y53-S71 CarbonylContact C-O 3.55Å; Y53-S71 WeakPolarHBondContact CA-O 3.4Å; V54-S71 PolarHBondContact N-O 2.69Å; V54-S71 PolarHBondContact O-N 2.92Å; S71-A73 PolarHBondContact O-N 2.98Å; S71-E77 CarbonylContact C-O 3.54Å; S71-E77 WeakPolarHBondContact CA-O 3.33Å
72	D	97.4	Very high	92.9	Very high	3 Å²	3	47 Å²	47	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	125.8	172.1	-173.3	-60.1	0	0	0	108.8	Y53 D74 T75 K76 E77 F79	Y53-D72 HydrophobicContact CD1-CB 4.12Å; Y53-D72 HydrophobicContact CE1-CB 4.07Å; D72-D74 PolarHBondContact O-N 3.41Å; D72-D74 WeakPolarHBondContact OD1-CA 3.23Å; D72-D74 PolarHBondContact OD1-N 2.96Å; D72-T75 WeakPolarHBondContact CB-OG1 3.49Å; D72-T75 PolarHBondContact OD1-N 3.45Å; D72-K76 WeakPolarHBondContact O-CA 3.39Å; D72-K76 PolarHBondContact O-N 3.37Å; D72-E77 PolarHBondContact N-O 2.64Å; D72-F79 HydrophobicContact CB-CE2 4.27Å
73	A	96.3	Very high	93.9	Very high	15 Å²	15	45 Å²	45	12%	0.124	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.8	-173.4	0	0	0	0	0	112.1	R52 V54 S71 K76	R52-A73 HydrophobicContact CB-CB 4Å; R52-A73 WeakPolarHBondContact O-CB 3.31Å; R52-A73 PolarHBondContact O-N 3.37Å; V54-A73 HydrophobicContact CG2-CB 4.36Å; S71-A73 PolarHBondContact O-N 2.98Å; A73-K76 WeakPolarHBondContact O-CE 3.37Å; A73-K76 PolarHBondContact O-NZ 3.2Å
74	D	95.5	Very high	94.7	Very high	99 Å²	99	42 Å²	42	53%	0.529	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-50.3	-173.8	-52.2	-46.2	0	0	0	110.2	R52 D72	R52-D74 IonicContact NH2-OD1 3.9Å; R52-D74 PolarHBondContact NH2-OD1 2.57Å; D72-D74 PolarHBondContact O-N 3.41Å; D72-D74 WeakPolarHBondContact OD1-CA 3.23Å; D72-D74 PolarHBondContact OD1-N 2.96Å
75	T	96.1	Very high	95.3	Very high	84 Å²	84	37.9 Å²	37.9	52%	0.515	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.3	-178.1	72.1	0	0	0	0	114.3	D72 E77	D72-T75 WeakPolarHBondContact CB-OG1 3.49Å; D72-T75 PolarHBondContact OD1-N 3.45Å; T75-E77 PolarHBondContact O-N 2.89Å; T75-E77 VanDerWaalsContact O-N 3.15Å; T75-E77 VanDerWaalsContact OG1-CB 3.31Å; T75-E77 WeakPolarHBondContact OG1-CB 3.22Å; T75-E77 PolarHBondContact OG1-N 2.83Å
76	K	94.7	Very high	95.5	Very high	151 Å²	151	40 Å²	40	66%	0.657	21%	0.21	S	C	*	.			trans	61.8	8.4	-170.5	-49	-53.7	-175.1	-167.7	0	114.7	D72 A73	D72-K76 WeakPolarHBondContact O-CA 3.39Å; D72-K76 PolarHBondContact O-N 3.37Å; A73-K76 WeakPolarHBondContact O-CE 3.37Å; A73-K76 PolarHBondContact O-NZ 3.2Å
77	E	95.5	Very high	95.6	Very high	105 Å²	105	39.2 Å²	39.2	49%	0.491	22%	0.216	S	C	.	.			trans	-66.1	139.9	173.3	-167.3	176.5	-176	0	0	110	S71 D72 T75 F79	S71-E77 CarbonylContact C-O 3.54Å; S71-E77 WeakPolarHBondContact CA-O 3.33Å; D72-E77 PolarHBondContact N-O 2.64Å; T75-E77 PolarHBondContact O-N 2.89Å; T75-E77 VanDerWaalsContact O-N 3.15Å; T75-E77 VanDerWaalsContact OG1-CB 3.31Å; T75-E77 WeakPolarHBondContact OG1-CB 3.22Å; T75-E77 PolarHBondContact OG1-N 2.83Å; E77-F79 HydrophobicContact CB-CE2 3.87Å; E77-F79 HydrophobicContact CB-CZ 3.96Å; E77-F79 HydrophobicContact CG-CE1 4.14Å; E77-F79 HydrophobicContact CG-CE2 3.9Å; E77-F79 HydrophobicContact CG-CZ 3.58Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.35Å
78	V	96	Very high	95.3	Very high	37 Å²	37	41 Å²	41	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.3	-173.2	-167.6	0	0	0	0	110.3	E69 I70 L132	E69-V78 HydrophobicContact CB-CG1 4.21Å; I70-V78 WeakPolarHBondContact O-CA 3.38Å; V78-L132 HydrophobicContact CB-CD2 4.24Å; V78-L132 HydrophobicContact CG1-CD2 3.69Å
79	F	97.9	Very high	95	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	169.6	-177.6	-57	-81.7	0	0	0	111.6	Y53 E69 I70 D72 E77 H117 V129 L130	Y53-F79 HydrophobicContact CD1-CD2 4.3Å; Y53-F79 AromaticContact CE1-CD2 3.97Å; Y53-F79 HydrophobicContact CE1-CD2 3.97Å; Y53-F79 HydrophobicContact CE1-CE2 4.04Å; E69-F79 WeakPolarHBondContact CA-O 3.4Å; I70-F79 HydrophobicContact CD1-CB 4.31Å; I70-F79 HydrophobicContact CG1-CB 3.79Å; I70-F79 PolarHBondContact N-O 2.77Å; I70-F79 PolarHBondContact O-N 2.95Å; D72-F79 HydrophobicContact CB-CE2 4.27Å; E77-F79 HydrophobicContact CB-CE2 3.87Å; E77-F79 HydrophobicContact CB-CZ 3.96Å; E77-F79 HydrophobicContact CG-CE1 4.14Å; E77-F79 HydrophobicContact CG-CE2 3.9Å; E77-F79 HydrophobicContact CG-CZ 3.58Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.35Å; F79-H117 HydrophobicContact CD1-CB 4.33Å; F79-H117 AromaticContact CD1-CD2 3.95Å; F79-H117 AromaticContact CD1-CG 3.96Å; F79-H117 HydrophobicContact CE1-CB 4.17Å; F79-H117 AromaticContact CE1-CE1 3.96Å; F79-H117 AromaticContact CE1-CG 3.7Å; F79-H117 AromaticContact CE1-ND1 3.66Å; F79-V129 HydrophobicContact CB-CG1 3.72Å; F79-V129 HydrophobicContact CD1-CG1 3.96Å; F79-V129 HydrophobicContact CD2-CG1 4.09Å; F79-V129 HydrophobicContact CG-CG1 3.65Å; F79-L130 WeakPolarHBondContact CB-O 3.16Å
80	A	97.5	Very high	94.6	Very high	16 Å²	16	46.5 Å²	46.5	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.8	163.9	0	0	0	0	0	109.6	L59 F68 L130 L132	L59-A80 HydrophobicContact CD1-CB 4.14Å; F68-A80 CarbonylContact O-C 3.59Å; A80-L130 HydrophobicContact CB-CB 4.39Å; A80-L130 PolarHBondContact N-O 2.72Å; A80-L130 PolarHBondContact O-N 2.81Å; A80-L132 HydrophobicContact CB-CD1 4.18Å
81	G	97.3	Very high	94.2	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.8	174	0	0	0	0	0	111.2	C67 F68 V128	C67-G81 VanDerWaalsContact CA-O 3.29Å; C67-G81 WeakPolarHBondContact CA-O 3.08Å; F68-G81 PolarHBondContact N-O 2.75Å; F68-G81 PolarHBondContact O-N 2.66Å; G81-V128 WeakPolarHBondContact CA-O 3.21Å
82	K	96.4	Very high	93.8	Very high	29 Å²	29	55.9 Å²	55.9	13%	0.126	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.1	170.5	-176.9	179.1	-178.8	175.8	0	108.7	A65 E101 V128 L130 D194	A65-K82 HydrophobicContact CB-CD 4.2Å; A65-K82 HydrophobicContact CB-CG 3.59Å; K82-E101 IonicContact NZ-OE1 2.93Å; K82-E101 PolarHBondContact NZ-OE1 3.49Å; K82-E101 IonicContact NZ-OE2 3.84Å; K82-V128 HydrophobicContact CB-CB 4.27Å; K82-V128 PolarHBondContact N-O 2.88Å; K82-V128 PolarHBondContact O-N 2.81Å; K82-L130 HydrophobicContact CB-CD1 4.38Å; K82-D194 IonicContact NZ-OD1 3.53Å
83	I	96	Very high	93.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.1	-172.6	-48.3	-177.9	0	0	0	109.2	I40 L44 A65 K66 F68 F125 V126 F127	I40-I83 HydrophobicContact CD1-CB 4.36Å; I40-I83 HydrophobicContact CD1-CG2 4.1Å; I40-I83 HydrophobicContact CG1-CG2 4.32Å; I40-I83 HydrophobicContact CG2-CD1 3.54Å; I40-I83 HydrophobicContact CG2-CG2 4.23Å; L44-I83 HydrophobicContact CD1-CD1 4.07Å; L44-I83 HydrophobicContact CD2-CD1 4.41Å; A65-I83 WeakPolarHBondContact CA-O 3.14Å; K66-I83 PolarHBondContact N-O 3.1Å; K66-I83 PolarHBondContact O-N 3.08Å; F68-I83 HydrophobicContact CD2-CD1 3.83Å; F68-I83 HydrophobicContact CD2-CG1 4.48Å; F68-I83 HydrophobicContact CE2-CD1 4.34Å; I83-F125 HydrophobicContact CG2-CB 4.15Å; I83-F125 HydrophobicContact CG2-CD1 3.85Å; I83-F125 HydrophobicContact CG2-CG 4.2Å; I83-V126 WeakPolarHBondContact CA-O 3.35Å; I83-F127 HydrophobicContact CB-CD1 4.37Å; I83-F127 HydrophobicContact CD1-CD1 4.21Å; I83-F127 HydrophobicContact CD1-CE1 4.39Å; I83-F127 HydrophobicContact CG1-CD1 3.99Å; I83-F127 HydrophobicContact CG2-CD1 3.76Å; I83-F127 HydrophobicContact CG2-CE1 3.69Å
84	V	94.5	Very high	92.8	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.03	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.7	-177	-172.8	0	0	0	0	109.9	F64 A65 K86 L89 M98 F125 V126	F64-V84 HydrophobicContact CB-CG1 4.19Å; A65-V84 HydrophobicContact CB-CG2 3.75Å; V84-K86 PolarHBondContact O-N 2.85Å; V84-L89 HydrophobicContact CG1-CD1 3.98Å; V84-L89 HydrophobicContact CG1-CD2 4.26Å; V84-L89 HydrophobicContact CG1-CG 4.13Å; V84-M98 HydrophobicContact CG2-CE 4.02Å; V84-M98 HydrophobicContact CG2-SD 4.18Å; V84-F125 WeakPolarHBondContact O-CA 3.34Å; V84-V126 HydrophobicContact CB-CB 4.5Å; V84-V126 PolarHBondContact N-O 2.99Å; V84-V126 PolarHBondContact O-N 2.95Å
85	P	93.9	Very high	92.5	Very high	27 Å²	27	65.3 Å²	65.3	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	129.9	174	-16.8	28.8	0	0	0	111.6	F64 S87 L88 F125	F64-P85 WeakPolarHBondContact O-CD 3.46Å; P85-S87 PolarHBondContact O-N 3.05Å; P85-L88 HydrophobicContact CB-CD1 4.37Å; P85-L88 HydrophobicContact CB-CG 4.28Å; P85-L88 HydrophobicContact CG-CD1 4.04Å; P85-L88 HydrophobicContact CG-CG 4.48Å; P85-L88 WeakPolarHBondContact O-CB 3.44Å; P85-L88 PolarHBondContact O-N 3.13Å; P85-F125 HydrophobicContact CB-CD1 4.18Å; P85-F125 HydrophobicContact CB-CE1 4.07Å; P85-F125 HydrophobicContact CG-CD1 4.28Å; P85-F125 HydrophobicContact CG-CE1 4.06Å
86	K	93.7	Very high	92.1	Very high	49 Å²	49	67 Å²	67	21%	0.213	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24	175.4	-71.2	-177.1	172.1	-170	0	112.8	V84 L88 L89 E121 D122 D124 V126	V84-K86 PolarHBondContact O-N 2.85Å; K86-L88 PolarHBondContact O-N 3.09Å; K86-L89 CarbonylContact O-C 3.55Å; K86-L89 WeakPolarHBondContact O-CA 3.49Å; K86-L89 PolarHBondContact O-N 2.85Å; K86-E121 WeakPolarHBondContact CE-OE2 3.41Å; K86-E121 IonicContact NZ-OE2 3.81Å; K86-E121 PolarHBondContact NZ-OE2 3.19Å; K86-D122 WeakPolarHBondContact CE-O 3.18Å; K86-D122 PolarHBondContact NZ-O 3.44Å; K86-D124 WeakPolarHBondContact CB-O 3.46Å; K86-D124 PolarHBondContact N-O 3.26Å; K86-V126 HydrophobicContact CG-CG2 4.13Å
87	S	90.7	Very high	91.8	Very high	82 Å²	82	64.7 Å²	64.7	57%	0.573	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.5	-18.2	170.7	59.2	0	0	0	0	113.7	P85 L90	P85-S87 PolarHBondContact O-N 3.05Å; S87-L90 WeakPolarHBondContact O-CD1 3.43Å; S87-L90 WeakPolarHBondContact O-CG 3.33Å
88	L	87.4	Confident	91.6	Very high	71 Å²	71	60.5 Å²	60.5	37%	0.372	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-95.2	-2.8	173.1	-58.6	178.4	0	0	0	112.9	F64 P85 K86 Q94	F64-L88 HydrophobicContact CB-CB 4.32Å; F64-L88 HydrophobicContact CB-CD1 3.92Å; F64-L88 HydrophobicContact CD1-CB 4.22Å; F64-L88 HydrophobicContact CD1-CD1 4.07Å; F64-L88 HydrophobicContact CG-CB 4.35Å; F64-L88 HydrophobicContact CG-CD1 4.4Å; P85-L88 HydrophobicContact CB-CD1 4.37Å; P85-L88 HydrophobicContact CB-CG 4.28Å; P85-L88 HydrophobicContact CG-CD1 4.04Å; P85-L88 HydrophobicContact CG-CG 4.48Å; P85-L88 WeakPolarHBondContact O-CB 3.44Å; P85-L88 PolarHBondContact O-N 3.13Å; K86-L88 PolarHBondContact O-N 3.09Å; L88-Q94 PolarHBondContact O-NE2 2.93Å; L88-Q94 PolarHBondContact O-OE1 3.42Å
89	L	87.6	Confident	91.5	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.084	32%	0.316	C	S	.	.			trans	-114.6	31.1	-178	-57.4	179	0	0	0	111.9	V84 K86 K91 Q94 R95 M98 V126	V84-L89 HydrophobicContact CG1-CD1 3.98Å; V84-L89 HydrophobicContact CG1-CD2 4.26Å; V84-L89 HydrophobicContact CG1-CG 4.13Å; K86-L89 CarbonylContact O-C 3.55Å; K86-L89 WeakPolarHBondContact O-CA 3.49Å; K86-L89 PolarHBondContact O-N 2.85Å; L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.42Å; L89-Q94 HydrophobicContact CD2-CB 4.09Å; L89-R95 HydrophobicContact CB-CG 4.08Å; L89-R95 WeakPolarHBondContact O-CD 3.46Å; L89-R95 WeakPolarHBondContact O-CG 3.28Å; L89-M98 HydrophobicContact CD1-CB 4.42Å; L89-M98 HydrophobicContact CD1-CG 4.29Å; L89-V126 HydrophobicContact CD1-CG2 4.21Å
90	L	87.3	Confident	91.2	Very high	141 Å²	141	66.1 Å²	66.1	74%	0.738	34%	0.336	S	S	*	.			trans	-67.1	-30.2	-175.7	-61.7	174.5	0	0	0	112.8	S87	S87-L90 WeakPolarHBondContact O-CD1 3.43Å; S87-L90 WeakPolarHBondContact O-CG 3.33Å
91	K	89.6	Confident	91	Very high	145 Å²	145	66.4 Å²	66.4	63%	0.63	33%	0.334	S	S	*	.	S	Bend	trans	-86.7	137.5	-177.9	-59.3	-178.1	-179.8	-179.5	0	110.8	L89 H93 Q94 R95	L89-K91 VanDerWaalsContact C-N 3.3Å; L89-K91 PolarHBondContact O-N 3.42Å; K91-H93 VanDerWaalsContact C-N 3.3Å; K91-H93 PolarHBondContact O-N 3.16Å; K91-Q94 HydrophobicContact CB-CG 4.21Å; K91-Q94 WeakPolarHBondContact O-CB 3.33Å; K91-Q94 PolarHBondContact O-N 2.86Å; K91-R95 PolarHBondContact O-N 3.06Å
92	P	88.6	Confident	91	Very high	92 Å²	92	66.8 Å²	66.8	60%	0.597	34%	0.335	S	S	*	.	H	α-helix	trans	-49.9	-46.3	179.3	-29.3	35	0	0	0	113.7	Q94 R95 E96	P92-Q94 VanDerWaalsContact C-N 3.26Å; P92-Q94 PolarHBondContact O-N 3.46Å; P92-R95 WeakPolarHBondContact O-CB 3.27Å; P92-R95 PolarHBondContact O-N 3.32Å; P92-E96 WeakPolarHBondContact O-CG 3.33Å; P92-E96 PolarHBondContact O-N 3.34Å
93	H	85.5	Confident	91	Very high	116 Å²	116	67.9 Å²	67.9	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-32.9	177.3	-174.3	53.1	0	0	0	114.1	K91 K97	K91-H93 VanDerWaalsContact C-N 3.3Å; K91-H93 PolarHBondContact O-N 3.16Å; H93-K97 WeakPolarHBondContact NE2-CE 3.42Å; H93-K97 WeakPolarHBondContact O-CG 3.36Å; H93-K97 PolarHBondContact O-N 3.31Å; H93-K97 VanDerWaalsContact O-N 3.13Å
94	Q	86.7	Confident	91.1	Very high	49 Å²	49	67.9 Å²	67.9	23%	0.229	35%	0.347	C	S	.	.	H	α-helix	trans	-72.7	-38.3	176.6	-66.3	173.6	-58.1	0	0	111.2	L88 L89 K91 P92 K97 M98	L88-Q94 PolarHBondContact O-NE2 2.93Å; L88-Q94 PolarHBondContact O-OE1 3.42Å; L89-Q94 HydrophobicContact CD2-CB 4.09Å; K91-Q94 HydrophobicContact CB-CG 4.21Å; K91-Q94 WeakPolarHBondContact O-CB 3.33Å; K91-Q94 PolarHBondContact O-N 2.86Å; P92-Q94 VanDerWaalsContact C-N 3.26Å; P92-Q94 PolarHBondContact O-N 3.46Å; Q94-K97 PolarHBondContact O-N 2.87Å; Q94-M98 PolarHBondContact O-N 3.48Å; Q94-M98 VanDerWaalsContact O-N 3.12Å
95	R	88.8	Confident	91.3	Very high	150 Å²	150	67.9 Å²	67.9	57%	0.566	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-42.4	175.4	-59.1	-179.9	77.6	179.4	2.8	111	L89 K91 P92 K97 M98 S99	L89-R95 HydrophobicContact CB-CG 4.08Å; L89-R95 WeakPolarHBondContact O-CD 3.46Å; L89-R95 WeakPolarHBondContact O-CG 3.28Å; K91-R95 PolarHBondContact O-N 3.06Å; P92-R95 WeakPolarHBondContact O-CB 3.27Å; P92-R95 PolarHBondContact O-N 3.32Å; R95-K97 PolarHBondContact O-N 2.93Å; R95-M98 PolarHBondContact O-N 3.42Å; R95-S99 WeakPolarHBondContact O-CB 3.26Å; R95-S99 PolarHBondContact O-N 2.9Å; R95-S99 PolarHBondContact O-OG 3.26Å; R95-S99 VanDerWaalsContact O-OG 3.1Å
96	E	89.6	Confident	91.5	Very high	119 Å²	119	72.3 Å²	72.3	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-44	176	-73.8	168.8	-160	0	0	112	P92 M98 S99 M100	P92-E96 WeakPolarHBondContact O-CG 3.33Å; P92-E96 PolarHBondContact O-N 3.34Å; E96-M98 PolarHBondContact O-N 2.83Å; E96-S99 PolarHBondContact O-N 3.5Å; E96-M100 WeakPolarHBondContact O-CB 3.47Å; E96-M100 PolarHBondContact O-N 2.92Å
97	K	87.9	Confident	91.7	Very high	104 Å²	104	72.6 Å²	72.6	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-45.4	173.8	-77.4	-177.6	174.7	-173.9	0	112.5	H93 Q94 R95 M100 E101	H93-K97 WeakPolarHBondContact NE2-CE 3.42Å; H93-K97 WeakPolarHBondContact O-CG 3.36Å; H93-K97 PolarHBondContact O-N 3.31Å; H93-K97 VanDerWaalsContact O-N 3.13Å; Q94-K97 PolarHBondContact O-N 2.87Å; R95-K97 PolarHBondContact O-N 2.93Å; K97-M100 PolarHBondContact O-N 3.39Å; K97-E101 PolarHBondContact O-N 3.1Å
98	M	90.9	Very high	92	Very high	16 Å²	16	69 Å²	69	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-45.7	176.8	-172.3	69	-163.4	0	0	111.3	V84 L89 Q94 R95 E96 M100 E101 I102 V126 V128	V84-M98 HydrophobicContact CG2-CE 4.02Å; V84-M98 HydrophobicContact CG2-SD 4.18Å; L89-M98 HydrophobicContact CD1-CB 4.42Å; L89-M98 HydrophobicContact CD1-CG 4.29Å; Q94-M98 PolarHBondContact O-N 3.48Å; Q94-M98 VanDerWaalsContact O-N 3.12Å; R95-M98 PolarHBondContact O-N 3.42Å; E96-M98 PolarHBondContact O-N 2.83Å; M98-M100 VanDerWaalsContact C-N 3.31Å; M98-M100 PolarHBondContact O-N 3.41Å; M98-E101 PolarHBondContact O-N 3.3Å; M98-I102 HydrophobicContact CE-CD1 3.85Å; M98-I102 HydrophobicContact CE-CG1 4.07Å; M98-I102 HydrophobicContact CG-CD1 4.24Å; M98-I102 WeakPolarHBondContact O-CG1 3.25Å; M98-I102 PolarHBondContact O-N 2.77Å; M98-V126 HydrophobicContact CE-CG1 3.85Å; M98-V128 HydrophobicContact CE-CG2 3.67Å
99	S	92.9	Very high	92.5	Very high	72 Å²	72	69.7 Å²	69.7	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-39.7	176.8	-66.3	0	0	0	0	112.2	R95 E96 S103	R95-S99 WeakPolarHBondContact O-CB 3.26Å; R95-S99 PolarHBondContact O-N 2.9Å; R95-S99 PolarHBondContact O-OG 3.26Å; R95-S99 VanDerWaalsContact O-OG 3.1Å; E96-S99 PolarHBondContact O-N 3.5Å; S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 2.94Å
100	M	92	Very high	93.1	Very high	88 Å²	88	71.6 Å²	71.6	43%	0.433	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-44.9	176.5	-175.9	62.1	74.7	0	0	111.5	E96 K97 M98 I102 S103 I104	E96-M100 WeakPolarHBondContact O-CB 3.47Å; E96-M100 PolarHBondContact O-N 2.92Å; K97-M100 PolarHBondContact O-N 3.39Å; M98-M100 VanDerWaalsContact C-N 3.31Å; M98-M100 PolarHBondContact O-N 3.41Å; M100-I102 PolarHBondContact O-N 3.16Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 3.38Å; M100-S103 VanDerWaalsContact O-N 3.16Å; M100-I104 HydrophobicContact CG-CD1 3.91Å; M100-I104 HydrophobicContact CG-CG1 4.42Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 2.93Å; M100-I104 HydrophobicContact SD-CD1 3.93Å; M100-I104 HydrophobicContact SD-CG1 4.06Å
101	E	94.8	Very high	93.6	Very high	21 Å²	21	70 Å²	70	10%	0.098	36%	0.355	C	S	.	.	H	α-helix	trans	-55.2	-51.6	174.9	180	-178.4	160.1	0	0	110.9	K82 K97 M98 S103 I104 H105 F195 G196	K82-E101 IonicContact NZ-OE1 2.93Å; K82-E101 PolarHBondContact NZ-OE1 3.49Å; K82-E101 IonicContact NZ-OE2 3.84Å; K97-E101 PolarHBondContact O-N 3.1Å; M98-E101 PolarHBondContact O-N 3.3Å; E101-S103 VanDerWaalsContact C-N 3.32Å; E101-S103 PolarHBondContact O-N 3.1Å; E101-I104 PolarHBondContact O-N 3Å; E101-H105 WeakPolarHBondContact O-CB 3.48Å; E101-H105 PolarHBondContact O-N 3.02Å; E101-F195 HydrophobicContact CG-CB 4.26Å; E101-G196 WeakPolarHBondContact OE2-CA 3.48Å
102	I	95.9	Very high	94	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.051	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-39.4	177.6	-62.6	171.6	0	0	0	110.7	M98 M100 R106 F116 F119 V126 V128	M98-I102 HydrophobicContact CE-CD1 3.85Å; M98-I102 HydrophobicContact CE-CG1 4.07Å; M98-I102 HydrophobicContact CG-CD1 4.24Å; M98-I102 WeakPolarHBondContact O-CG1 3.25Å; M98-I102 PolarHBondContact O-N 2.77Å; M100-I102 PolarHBondContact O-N 3.16Å; I102-R106 VanDerWaalsContact O-CB 3.24Å; I102-R106 WeakPolarHBondContact O-CB 3.48Å; I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 2.91Å; I102-R106 VanDerWaalsContact O-N 3.08Å; I102-R106 PolarHBondContact O-NE 3.14Å; I102-F116 HydrophobicContact CG2-CE2 4.25Å; I102-F116 HydrophobicContact CG2-CZ 3.88Å; I102-F119 HydrophobicContact CD1-CD2 3.98Å; I102-F119 HydrophobicContact CD1-CE2 4.5Å; I102-F119 HydrophobicContact CD1-CG 4.3Å; I102-F119 HydrophobicContact CG2-CB 4.35Å; I102-F119 HydrophobicContact CG2-CD1 3.6Å; I102-F119 HydrophobicContact CG2-CD2 4.17Å; I102-F119 HydrophobicContact CG2-CE1 3.89Å; I102-F119 HydrophobicContact CG2-CE2 4.42Å; I102-F119 HydrophobicContact CG2-CG 3.75Å; I102-F119 HydrophobicContact CG2-CZ 4.29Å; I102-V126 HydrophobicContact CD1-CG1 4.19Å; I102-V128 HydrophobicContact CD1-CG2 4.3Å; I102-V128 HydrophobicContact CG1-CG2 4.25Å
103	S	97.4	Very high	94.5	Very high	52 Å²	52	59.1 Å²	59.1	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-44.2	179.4	-172.3	0	0	0	0	112.8	S99 M100 E101 R106	S99-S103 WeakPolarHBondContact O-CB 3.47Å; S99-S103 PolarHBondContact O-N 2.94Å; M100-S103 WeakPolarHBondContact O-CB 3.43Å; M100-S103 PolarHBondContact O-N 3.38Å; M100-S103 VanDerWaalsContact O-N 3.16Å; E101-S103 VanDerWaalsContact C-N 3.32Å; E101-S103 PolarHBondContact O-N 3.1Å; S103-R106 WeakPolarHBondContact O-CG 3.21Å
104	I	97.7	Very high	95.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-56.1	177	-68.8	173.4	0	0	0	109.1	M100 E101 R106 S107 L108 V172 F195 A198 K200	M100-I104 HydrophobicContact CG-CD1 3.91Å; M100-I104 HydrophobicContact CG-CG1 4.42Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 2.93Å; M100-I104 HydrophobicContact SD-CD1 3.93Å; M100-I104 HydrophobicContact SD-CG1 4.06Å; E101-I104 PolarHBondContact O-N 3Å; I104-R106 PolarHBondContact O-N 3.31Å; I104-S107 PolarHBondContact O-N 3.26Å; I104-S107 PolarHBondContact O-OG 3.03Å; I104-L108 HydrophobicContact CG2-CD1 4.07Å; I104-L108 WeakPolarHBondContact O-CG 3.21Å; I104-V172 HydrophobicContact CG2-CG1 3.82Å; I104-V172 HydrophobicContact CG2-CG2 4.09Å; I104-F195 HydrophobicContact CG2-CD1 3.98Å; I104-A198 HydrophobicContact CD1-CB 3.99Å; I104-A198 HydrophobicContact CG2-CB 4.26Å; I104-K200 HydrophobicContact CG1-CG 4.4Å
105	H	98.2	Very high	95.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-40.5	-170.9	-160.1	172.1	0	0	0	112.5	E101 S107 L108 V114 F116 F195	E101-H105 WeakPolarHBondContact O-CB 3.48Å; E101-H105 PolarHBondContact O-N 3.02Å; H105-S107 PolarHBondContact O-N 3.13Å; H105-S107 VanDerWaalsContact O-N 3.1Å; H105-L108 PolarHBondContact O-N 3.28Å; H105-L108 VanDerWaalsContact O-N 3.09Å; H105-V114 PolarHBondContact NE2-O 2.75Å; H105-F116 HydrophobicContact CB-CD2 3.91Å; H105-F116 HydrophobicContact CB-CE2 4.45Å; H105-F116 AromaticContact CG-CD2 3.83Å; H105-F195 HydrophobicContact CB-CB 4.34Å; H105-F195 HydrophobicContact CB-CD2 3.97Å; H105-F195 HydrophobicContact CB-CG 4.26Å; H105-F195 AromaticContact CD2-CD2 3.7Å; H105-F195 AromaticContact CD2-CE2 3.62Å; H105-F195 AromaticContact CE1-CD2 3.73Å; H105-F195 AromaticContact CE1-CE2 3.86Å; H105-F195 AromaticContact CG-CD2 3.45Å; H105-F195 VanDerWaalsContact CG-CD2 3.45Å; H105-F195 AromaticContact CG-CE2 3.89Å; H105-F195 AromaticContact ND1-CD2 3.47Å; H105-F195 WeakPolarHBondContact ND1-CD2 3.32Å; H105-F195 AromaticContact NE2-CD2 3.87Å; H105-F195 AromaticContact NE2-CE2 3.61Å
106	R	97.6	Very high	96.2	Very high	121 Å²	121	47.3 Å²	47.3	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-23.6	176.6	82	179.7	83	170.3	9.4	113.9	I102 S103 I104 L108 F116	I102-R106 VanDerWaalsContact O-CB 3.24Å; I102-R106 WeakPolarHBondContact O-CB 3.48Å; I102-R106 VanDerWaalsContact O-CG 3.27Å; I102-R106 WeakPolarHBondContact O-CG 3.38Å; I102-R106 PolarHBondContact O-N 2.91Å; I102-R106 VanDerWaalsContact O-N 3.08Å; I102-R106 PolarHBondContact O-NE 3.14Å; S103-R106 WeakPolarHBondContact O-CG 3.21Å; I104-R106 PolarHBondContact O-N 3.31Å; R106-L108 VanDerWaalsContact C-N 3.3Å; R106-F116 HydrophobicContact CB-CD1 3.73Å; R106-F116 HydrophobicContact CB-CE1 3.66Å; R106-F116 HydrophobicContact CB-CE2 4.43Å; R106-F116 HydrophobicContact CB-CG 4.17Å; R106-F116 HydrophobicContact CB-CZ 4.03Å
107	S	97.8	Very high	96.6	Very high	55 Å²	55	45.7 Å²	45.7	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.1	-178.3	71.6	0	0	0	0	113.4	I104 H105	I104-S107 PolarHBondContact O-N 3.26Å; I104-S107 PolarHBondContact O-OG 3.03Å; H105-S107 PolarHBondContact O-N 3.13Å; H105-S107 VanDerWaalsContact O-N 3.1Å
108	L	98.4	Very high	97	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	24%	0.236	C	C	.	.			trans	-111	129.7	-174.6	-56.3	174.1	0	0	0	110.7	I104 H105 R106 V113 Y166 L167 N170 V172 F195	I104-L108 HydrophobicContact CG2-CD1 4.07Å; I104-L108 WeakPolarHBondContact O-CG 3.21Å; H105-L108 PolarHBondContact O-N 3.28Å; H105-L108 VanDerWaalsContact O-N 3.09Å; R106-L108 VanDerWaalsContact C-N 3.3Å; L108-V113 HydrophobicContact CB-CG1 4.14Å; L108-V113 HydrophobicContact CD1-CG1 4.45Å; L108-Y166 HydrophobicContact CB-CE1 4.03Å; L108-Y166 HydrophobicContact CD2-CE1 3.69Å; L108-Y166 HydrophobicContact CG-CE1 4.41Å; L108-L167 HydrophobicContact CD1-CD2 3.6Å; L108-L167 HydrophobicContact CD2-CD2 4.09Å; L108-L167 HydrophobicContact CG-CD2 4.42Å; L108-N170 HydrophobicContact CD2-CB 4.47Å; L108-V172 HydrophobicContact CD2-CG2 4.27Å; L108-F195 HydrophobicContact CD1-CD1 3.92Å; L108-F195 HydrophobicContact CD1-CE1 3.33Å; L108-F195 HydrophobicContact CD1-CE2 4.25Å; L108-F195 HydrophobicContact CD1-CZ 3.54Å
109	A	98.3	Very high	97.3	Very high	84 Å²	84	44 Å²	44	69%	0.694	25%	0.245	S	C	*	.			trans	-142.6	105	173	0	0	0	0	0	108.9	Y166	A109-Y166 PolarHBondContact N-OH 2.72Å; A109-Y166 VanDerWaalsContact N-OH 3.07Å; A109-Y166 PolarHBondContact O-OH 3.13Å
110	H	98.7	Very high	97.5	Very high	57 Å²	57	41.1 Å²	41.1	26%	0.264	22%	0.224	S	C	.	.			trans	-154.1	148.2	-177.8	-176	-98.9	0	0	0	110.4	H112 V113 Y166	H110-H112 AromaticContact CE1-CD2 3.97Å; H110-H112 PolarHBondContact ND1-N 3.05Å; H110-H112 PolarHBondContact O-N 3.17Å; H110-H112 VanDerWaalsContact O-N 3.13Å; H110-V113 HydrophobicContact CB-CB 4.17Å; H110-V113 HydrophobicContact CB-CG2 3.99Å; H110-V113 PolarHBondContact O-N 3.25Å; H110-V113 VanDerWaalsContact O-O 3.13Å; H110-Y166 HydrophobicContact CB-CD1 3.61Å; H110-Y166 HydrophobicContact CB-CD2 3.87Å; H110-Y166 HydrophobicContact CB-CE1 3.84Å; H110-Y166 HydrophobicContact CB-CE2 4.07Å; H110-Y166 HydrophobicContact CB-CG 3.65Å; H110-Y166 AromaticContact CD2-CD2 3.56Å; H110-Y166 AromaticContact CD2-CG 3.66Å; H110-Y166 AromaticContact CG-CD2 3.89Å; H110-Y166 AromaticContact CG-CG 3.63Å
111	Q	98.4	Very high	97.7	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.7	-178.5	-176.5	178.1	-0.1	0	0	112.4	E189 K191	Q111-E189 PolarHBondContact NE2-OE1 2.87Å; Q111-K191 WeakPolarHBondContact O-CD 3.33Å; Q111-K191 WeakPolarHBondContact O-CE 3.41Å; Q111-K191 PolarHBondContact O-NZ 3.26Å
112	H	98.7	Very high	97.7	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.028	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	24.4	-178.2	-57.2	-52	0	0	0	115.1	H110 Q159 V190 I192	H110-H112 AromaticContact CE1-CD2 3.97Å; H110-H112 PolarHBondContact ND1-N 3.05Å; H110-H112 PolarHBondContact O-N 3.17Å; H110-H112 VanDerWaalsContact O-N 3.13Å; H112-Q159 WeakPolarHBondContact CB-O 3.38Å; H112-Q159 VanDerWaalsContact CE1-CG 3.43Å; H112-Q159 WeakPolarHBondContact CE1-CG 3.35Å; H112-Q159 PolarHBondContact CE1-OE1 3.2Å; H112-Q159 PolarHBondContact ND1-OE1 3.12Å; H112-V190 WeakPolarHBondContact CA-O 3.46Å; H112-V190 WeakPolarHBondContact CB-O 3.46Å; H112-V190 PolarHBondContact ND1-O 3.18Å; H112-V190 VanDerWaalsContact ND1-O 3.09Å; H112-I192 WeakPolarHBondContact O-CG1 3.42Å; H112-I192 PolarHBondContact O-N 2.84Å
113	V	98.8	Very high	97.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-123.9	137.7	171.2	173.8	0	0	0	0	107.8	L108 H110 G115 Y166 L167 F195	L108-V113 HydrophobicContact CB-CG1 4.14Å; L108-V113 HydrophobicContact CD1-CG1 4.45Å; H110-V113 HydrophobicContact CB-CB 4.17Å; H110-V113 HydrophobicContact CB-CG2 3.99Å; H110-V113 PolarHBondContact O-N 3.25Å; H110-V113 VanDerWaalsContact O-O 3.13Å; V113-G115 PolarHBondContact O-N 3.09Å; V113-Y166 HydrophobicContact CG2-CD1 4.18Å; V113-L167 HydrophobicContact CG2-CD2 4.17Å; V113-F195 HydrophobicContact CG1-CE2 3.97Å; V113-F195 HydrophobicContact CG1-CZ 3.71Å
114	V	98.6	Very high	97.5	Very high	7 Å²	7	50 Å²	50	4%	0.042	27%	0.267	C	S	.	.			trans	-55.2	125.4	177.1	170.3	0	0	0	0	109.1	H105 L130 E131 F183 K191 I192	H105-V114 PolarHBondContact NE2-O 2.75Å; V114-L130 HydrophobicContact CG1-CB 4.08Å; V114-E131 HydrophobicContact CG1-CB 4.18Å; V114-F183 HydrophobicContact CG2-CD2 3.81Å; V114-F183 HydrophobicContact CG2-CG 4.47Å; V114-K191 HydrophobicContact CG2-CB 3.65Å; V114-I192 WeakPolarHBondContact CG2-O 3.39Å; V114-I192 PolarHBondContact N-O 3.42Å
115	G	98.4	Very high	97.4	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	27%	0.268	C	S	.	.			trans	-60.2	134.7	177	0	0	0	0	0	112.8	V113 L130 E131	V113-G115 PolarHBondContact O-N 3.09Å; G115-L130 CarbonylContact O-C 3.59Å; G115-L130 WeakPolarHBondContact O-CA 3.45Å; G115-E131 PolarHBondContact N-OE2 2.66Å; G115-E131 PolarHBondContact O-N 3.28Å
116	F	98.4	Very high	97.3	Very high	41 Å²	41	50.6 Å²	50.6	18%	0.18	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.6	172.6	-173.4	-79.7	0	0	0	109.3	I102 H105 R106 F119 V128 L130	I102-F116 HydrophobicContact CG2-CE2 4.25Å; I102-F116 HydrophobicContact CG2-CZ 3.88Å; H105-F116 HydrophobicContact CB-CD2 3.91Å; H105-F116 HydrophobicContact CB-CE2 4.45Å; H105-F116 AromaticContact CG-CD2 3.83Å; R106-F116 HydrophobicContact CB-CD1 3.73Å; R106-F116 HydrophobicContact CB-CE1 3.66Å; R106-F116 HydrophobicContact CB-CE2 4.43Å; R106-F116 HydrophobicContact CB-CG 4.17Å; R106-F116 HydrophobicContact CB-CZ 4.03Å; F116-F119 HydrophobicContact CE1-CD1 4.4Å; F116-F119 HydrophobicContact CZ-CB 4.02Å; F116-F119 HydrophobicContact CZ-CD1 4.03Å; F116-F119 HydrophobicContact CZ-CG 4.42Å; F116-V128 HydrophobicContact CD2-CG1 4.16Å; F116-V128 HydrophobicContact CE2-CG1 3.51Å; F116-V128 HydrophobicContact CZ-CG1 4.14Å; F116-L130 HydrophobicContact CD2-CD2 3.86Å
117	H	97.8	Very high	97.3	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.389	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-14.3	-173.2	-65.3	-91.1	0	0	0	113.8	F79 V129 E131	F79-H117 HydrophobicContact CD1-CB 4.33Å; F79-H117 AromaticContact CD1-CD2 3.95Å; F79-H117 AromaticContact CD1-CG 3.96Å; F79-H117 HydrophobicContact CE1-CB 4.17Å; F79-H117 AromaticContact CE1-CE1 3.96Å; F79-H117 AromaticContact CE1-CG 3.7Å; F79-H117 AromaticContact CE1-ND1 3.66Å; H117-V129 HydrophobicContact CB-CB 4.3Å; H117-V129 HydrophobicContact CB-CG1 3.9Å; H117-V129 PolarHBondContact N-O 3.2Å; H117-E131 PolarHBondContact CD2-N 2.78Å
118	G	96.9	Very high	97.3	Very high	20 Å²	20	42.8 Å²	42.8	21%	0.206	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	172.2	175.3	0	0	0	0	0	113.4	V129	G118-V129 PolarHBondContact N-O 2.61Å; G118-V129 PolarHBondContact O-N 2.88Å
119	F	97.5	Very high	97.3	Very high	65 Å²	65	42.5 Å²	42.5	29%	0.285	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.5	167.6	81.1	-76.7	0	0	0	110.1	I102 F116 F127 V128	I102-F119 HydrophobicContact CD1-CD2 3.98Å; I102-F119 HydrophobicContact CD1-CE2 4.5Å; I102-F119 HydrophobicContact CD1-CG 4.3Å; I102-F119 HydrophobicContact CG2-CB 4.35Å; I102-F119 HydrophobicContact CG2-CD1 3.6Å; I102-F119 HydrophobicContact CG2-CD2 4.17Å; I102-F119 HydrophobicContact CG2-CE1 3.89Å; I102-F119 HydrophobicContact CG2-CE2 4.42Å; I102-F119 HydrophobicContact CG2-CG 3.75Å; I102-F119 HydrophobicContact CG2-CZ 4.29Å; F116-F119 HydrophobicContact CE1-CD1 4.4Å; F116-F119 HydrophobicContact CZ-CB 4.02Å; F116-F119 HydrophobicContact CZ-CD1 4.03Å; F116-F119 HydrophobicContact CZ-CG 4.42Å; F119-F127 CarbonylContact C-O 3.54Å; F119-F127 WeakPolarHBondContact CA-O 3.4Å; F119-F127 WeakPolarHBondContact CB-O 3.43Å; F119-V128 HydrophobicContact CB-CG2 4.34Å
120	F	97.5	Very high	97.3	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	172.6	174.5	56.5	-82.8	0	0	0	109.2	L44 D46 Y53 F127 V129	L44-F120 HydrophobicContact CB-CE2 4Å; L44-F120 HydrophobicContact CB-CZ 3.74Å; D46-F120 HydrophobicContact CB-CB 4.12Å; D46-F120 HydrophobicContact CB-CD1 3.73Å; D46-F120 HydrophobicContact CB-CD2 4.17Å; D46-F120 HydrophobicContact CB-CE1 4.16Å; D46-F120 HydrophobicContact CB-CG 3.75Å; Y53-F120 HydrophobicContact CD2-CE1 4.06Å; Y53-F120 HydrophobicContact CD2-CZ 4.09Å; Y53-F120 AromaticContact CE2-CE1 3.95Å; Y53-F120 HydrophobicContact CE2-CE1 3.95Å; Y53-F120 HydrophobicContact CE2-CZ 4.42Å; F120-F127 HydrophobicContact CD1-CB 4.2Å; F120-F127 HydrophobicContact CD2-CB 4.02Å; F120-F127 AromaticContact CD2-CD2 3.44Å; F120-F127 HydrophobicContact CD2-CD2 3.44Å; F120-F127 VanDerWaalsContact CD2-CD2 3.44Å; F120-F127 HydrophobicContact CD2-CE2 4.21Å; F120-F127 HydrophobicContact CD2-CG 4.03Å; F120-F127 HydrophobicContact CE1-CB 3.9Å; F120-F127 HydrophobicContact CE2-CB 3.7Å; F120-F127 HydrophobicContact CE2-CD1 4.45Å; F120-F127 AromaticContact CE2-CD2 3.31Å; F120-F127 HydrophobicContact CE2-CD2 3.31Å; F120-F127 AromaticContact CE2-CE2 3.98Å; F120-F127 HydrophobicContact CE2-CE2 3.98Å; F120-F127 AromaticContact CE2-CG 3.57Å; F120-F127 HydrophobicContact CE2-CG 3.57Å; F120-F127 HydrophobicContact CG-CB 4.26Å; F120-F127 HydrophobicContact CG-CD2 4.34Å; F120-F127 HydrophobicContact CZ-CB 3.63Å; F120-F127 HydrophobicContact CZ-CD2 4.12Å; F120-F127 AromaticContact CZ-CG 3.91Å; F120-F127 HydrophobicContact CZ-CG 3.91Å; F120-F127 PolarHBondContact N-O 2.76Å; F120-F127 PolarHBondContact O-N 3.27Å; F120-V129 HydrophobicContact CE1-CG2 3.9Å
121	E	96.1	Very high	97.2	Very high	97 Å²	97	38.9 Å²	38.9	45%	0.453	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.5	-178.4	60.8	-177.1	153	0	0	110.6	K86 F125 V126	K86-E121 WeakPolarHBondContact CE-OE2 3.41Å; K86-E121 IonicContact NZ-OE2 3.81Å; K86-E121 PolarHBondContact NZ-OE2 3.19Å; E121-F125 VanDerWaalsContact CA-O 3.3Å; E121-F125 WeakPolarHBondContact CA-O 3.3Å; E121-F125 WeakPolarHBondContact CB-O 3.49Å; E121-V126 HydrophobicContact CB-CG2 4.33Å
122	D	94.9	Very high	97.1	Very high	57 Å²	57	34.7 Å²	34.7	31%	0.305	18%	0.182	S	C	.	.			trans	-111.6	-163.6	166.6	65.4	23.9	0	0	0	109.4	K86 D124 F125 F127	K86-D122 WeakPolarHBondContact CE-O 3.18Å; K86-D122 PolarHBondContact NZ-O 3.44Å; D122-D124 PolarHBondContact O-N 3.12Å; D122-D124 WeakPolarHBondContact OD1-CA 3.39Å; D122-D124 PolarHBondContact OD1-N 2.84Å; D122-F125 PolarHBondContact N-O 2.89Å; D122-F125 VanDerWaalsContact N-O 3.07Å; D122-F125 PolarHBondContact OD1-N 2.85Å; D122-F127 HydrophobicContact CB-CE2 4.25Å; D122-F127 WeakPolarHBondContact OD2-CE2 3.37Å; D122-F127 WeakPolarHBondContact OD2-CZ 3.04Å
123	N	93.6	Very high	96.9	Very high	150 Å²	150	35.2 Å²	35.2	80%	0.802	19%	0.186	S	C	*	.	S	Bend	trans	-67.5	-19.8	179.6	-69.7	-31.8	0	0	0	113.8
124	D	94.4	Very high	96.5	Very high	54 Å²	54	40 Å²	40	29%	0.289	20%	0.204	S	C	.	.	S	Bend	trans	-120.5	-25.3	-165.1	-67.2	-48.7	0	0	0	114	K38 K86 D122	K38-D124 HydrophobicContact CD-CB 4.07Å; K38-D124 WeakPolarHBondContact CD-OD1 3.38Å; K38-D124 VanDerWaalsContact CD-OD2 3.32Å; K38-D124 WeakPolarHBondContact CD-OD2 3.08Å; K38-D124 WeakPolarHBondContact CE-OD1 3.03Å; K38-D124 IonicContact NZ-OD1 3.39Å; K38-D124 PolarHBondContact NZ-OD1 2.75Å; K38-D124 IonicContact NZ-OD2 3.59Å; K38-D124 PolarHBondContact NZ-OD2 3.15Å; K86-D124 WeakPolarHBondContact CB-O 3.46Å; K86-D124 PolarHBondContact N-O 3.26Å; D122-D124 PolarHBondContact O-N 3.12Å; D122-D124 WeakPolarHBondContact OD1-CA 3.39Å; D122-D124 PolarHBondContact OD1-N 2.84Å
125	F	96.1	Very high	96.1	Very high	7 Å²	7	43 Å²	43	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.5	-171.8	-59.9	-80.2	0	0	0	112.5	K38 E39 I40 I83 V84 P85 E121 D122 F127	K38-F125 HydrophobicContact CB-CZ 4.27Å; E39-F125 WeakPolarHBondContact O-CE2 3.44Å; E39-F125 WeakPolarHBondContact O-CZ 3.22Å; I40-F125 HydrophobicContact CG1-CD1 4.4Å; I40-F125 HydrophobicContact CG1-CE1 3.75Å; I40-F125 HydrophobicContact CG1-CZ 3.95Å; I83-F125 HydrophobicContact CG2-CB 4.15Å; I83-F125 HydrophobicContact CG2-CD1 3.85Å; I83-F125 HydrophobicContact CG2-CG 4.2Å; V84-F125 WeakPolarHBondContact O-CA 3.34Å; P85-F125 HydrophobicContact CB-CD1 4.18Å; P85-F125 HydrophobicContact CB-CE1 4.07Å; P85-F125 HydrophobicContact CG-CD1 4.28Å; P85-F125 HydrophobicContact CG-CE1 4.06Å; E121-F125 VanDerWaalsContact CA-O 3.3Å; E121-F125 WeakPolarHBondContact CA-O 3.3Å; E121-F125 WeakPolarHBondContact CB-O 3.49Å; D122-F125 PolarHBondContact N-O 2.89Å; D122-F125 VanDerWaalsContact N-O 3.07Å; D122-F125 PolarHBondContact OD1-N 2.85Å; F125-F127 HydrophobicContact CB-CD1 4.46Å; F125-F127 HydrophobicContact CB-CE1 3.75Å; F125-F127 HydrophobicContact CB-CE2 3.84Å; F125-F127 HydrophobicContact CB-CZ 3.42Å; F125-F127 VanDerWaalsContact CB-CZ 3.42Å; F125-F127 HydrophobicContact CD2-CZ 4.23Å; F125-F127 HydrophobicContact CG-CE1 4.34Å; F125-F127 HydrophobicContact CG-CZ 4.13Å
126	V	96.1	Very high	95.7	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.3	163.3	-178.3	0	0	0	0	107.8	I83 V84 K86 L89 M98 I102 E121	I83-V126 WeakPolarHBondContact CA-O 3.35Å; V84-V126 HydrophobicContact CB-CB 4.5Å; V84-V126 PolarHBondContact N-O 2.99Å; V84-V126 PolarHBondContact O-N 2.95Å; K86-V126 HydrophobicContact CG-CG2 4.13Å; L89-V126 HydrophobicContact CD1-CG2 4.21Å; M98-V126 HydrophobicContact CE-CG1 3.85Å; I102-V126 HydrophobicContact CD1-CG1 4.19Å; E121-V126 HydrophobicContact CB-CG2 4.33Å
127	F	97.3	Very high	95.6	Very high	6 Å²	6	43 Å²	43	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.3	-179.2	-50.2	-82.9	0	0	0	109.5	L44 I83 F119 F120 D122 F125	L44-F127 HydrophobicContact CD1-CD1 4.04Å; L44-F127 HydrophobicContact CD1-CE1 4.46Å; L44-F127 HydrophobicContact CD2-CD1 4.07Å; L44-F127 HydrophobicContact CD2-CE1 3.64Å; L44-F127 HydrophobicContact CD2-CZ 4.33Å; L44-F127 HydrophobicContact CG-CD1 4.46Å; L44-F127 HydrophobicContact CG-CE1 4.46Å; I83-F127 HydrophobicContact CB-CD1 4.37Å; I83-F127 HydrophobicContact CD1-CD1 4.21Å; I83-F127 HydrophobicContact CD1-CE1 4.39Å; I83-F127 HydrophobicContact CG1-CD1 3.99Å; I83-F127 HydrophobicContact CG2-CD1 3.76Å; I83-F127 HydrophobicContact CG2-CE1 3.69Å; F119-F127 CarbonylContact C-O 3.54Å; F119-F127 WeakPolarHBondContact CA-O 3.4Å; F119-F127 WeakPolarHBondContact CB-O 3.43Å; F120-F127 HydrophobicContact CD1-CB 4.2Å; F120-F127 HydrophobicContact CD2-CB 4.02Å; F120-F127 AromaticContact CD2-CD2 3.44Å; F120-F127 HydrophobicContact CD2-CD2 3.44Å; F120-F127 VanDerWaalsContact CD2-CD2 3.44Å; F120-F127 HydrophobicContact CD2-CE2 4.21Å; F120-F127 HydrophobicContact CD2-CG 4.03Å; F120-F127 HydrophobicContact CE1-CB 3.9Å; F120-F127 HydrophobicContact CE2-CB 3.7Å; F120-F127 HydrophobicContact CE2-CD1 4.45Å; F120-F127 AromaticContact CE2-CD2 3.31Å; F120-F127 HydrophobicContact CE2-CD2 3.31Å; F120-F127 AromaticContact CE2-CE2 3.98Å; F120-F127 HydrophobicContact CE2-CE2 3.98Å; F120-F127 AromaticContact CE2-CG 3.57Å; F120-F127 HydrophobicContact CE2-CG 3.57Å; F120-F127 HydrophobicContact CG-CB 4.26Å; F120-F127 HydrophobicContact CG-CD2 4.34Å; F120-F127 HydrophobicContact CZ-CB 3.63Å; F120-F127 HydrophobicContact CZ-CD2 4.12Å; F120-F127 AromaticContact CZ-CG 3.91Å; F120-F127 HydrophobicContact CZ-CG 3.91Å; F120-F127 PolarHBondContact N-O 2.76Å; F120-F127 PolarHBondContact O-N 3.27Å; D122-F127 HydrophobicContact CB-CE2 4.25Å; D122-F127 WeakPolarHBondContact OD2-CE2 3.37Å; D122-F127 WeakPolarHBondContact OD2-CZ 3.04Å; F125-F127 HydrophobicContact CB-CD1 4.46Å; F125-F127 HydrophobicContact CB-CE1 3.75Å; F125-F127 HydrophobicContact CB-CE2 3.84Å; F125-F127 HydrophobicContact CB-CZ 3.42Å; F125-F127 VanDerWaalsContact CB-CZ 3.42Å; F125-F127 HydrophobicContact CD2-CZ 4.23Å; F125-F127 HydrophobicContact CG-CE1 4.34Å; F125-F127 HydrophobicContact CG-CZ 4.13Å
128	V	97.8	Very high	95.7	Very high	5 Å²	5	39 Å²	39	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.3	174	-171.4	0	0	0	0	108.7	G81 K82 M98 I102 F116 F119 L130	G81-V128 WeakPolarHBondContact CA-O 3.21Å; K82-V128 HydrophobicContact CB-CB 4.27Å; K82-V128 PolarHBondContact N-O 2.88Å; K82-V128 PolarHBondContact O-N 2.81Å; M98-V128 HydrophobicContact CE-CG2 3.67Å; I102-V128 HydrophobicContact CD1-CG2 4.3Å; I102-V128 HydrophobicContact CG1-CG2 4.25Å; F116-V128 HydrophobicContact CD2-CG1 4.16Å; F116-V128 HydrophobicContact CE2-CG1 3.51Å; F116-V128 HydrophobicContact CZ-CG1 4.14Å; F119-V128 HydrophobicContact CB-CG2 4.34Å; V128-L130 HydrophobicContact CG1-CD2 3.76Å; V128-L130 HydrophobicContact CG1-CG 4.02Å
129	V	98.2	Very high	95.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115	-178.1	-173.7	0	0	0	0	108.5	Y53 I70 F79 H117 G118 F120	Y53-V129 HydrophobicContact CE1-CG1 4.27Å; Y53-V129 HydrophobicContact CE2-CG2 4.2Å; I70-V129 HydrophobicContact CD1-CB 4.46Å; I70-V129 HydrophobicContact CD1-CG1 4.11Å; I70-V129 HydrophobicContact CD1-CG2 4.01Å; F79-V129 HydrophobicContact CB-CG1 3.72Å; F79-V129 HydrophobicContact CD1-CG1 3.96Å; F79-V129 HydrophobicContact CD2-CG1 4.09Å; F79-V129 HydrophobicContact CG-CG1 3.65Å; H117-V129 HydrophobicContact CB-CB 4.3Å; H117-V129 HydrophobicContact CB-CG1 3.9Å; H117-V129 PolarHBondContact N-O 3.2Å; G118-V129 PolarHBondContact N-O 2.61Å; G118-V129 PolarHBondContact O-N 2.88Å; F120-V129 HydrophobicContact CE1-CG2 3.9Å
130	L	98.3	Very high	95.4	Very high	24 Å²	24	39 Å²	39	13%	0.126	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	158.8	-173.6	-59.6	176.9	0	0	0	111.7	F79 A80 K82 V114 G115 F116 V128 L132	F79-L130 WeakPolarHBondContact CB-O 3.16Å; A80-L130 HydrophobicContact CB-CB 4.39Å; A80-L130 PolarHBondContact N-O 2.72Å; A80-L130 PolarHBondContact O-N 2.81Å; K82-L130 HydrophobicContact CB-CD1 4.38Å; V114-L130 HydrophobicContact CG1-CB 4.08Å; G115-L130 CarbonylContact O-C 3.59Å; G115-L130 WeakPolarHBondContact O-CA 3.45Å; F116-L130 HydrophobicContact CD2-CD2 3.86Å; V128-L130 HydrophobicContact CG1-CD2 3.76Å; V128-L130 HydrophobicContact CG1-CG 4.02Å; L130-L132 PolarHBondContact O-N 2.75Å
131	E	97.8	Very high	95.2	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	19%	0.185	C	C	.	.			trans	-55.2	130.7	171.7	177.9	-177.3	-177.7	0	0	110.9	V114 G115 H117 C133 K191	V114-E131 HydrophobicContact CG1-CB 4.18Å; G115-E131 PolarHBondContact N-OE2 2.66Å; G115-E131 PolarHBondContact O-N 3.28Å; H117-E131 PolarHBondContact CD2-N 2.78Å; E131-C133 PolarHBondContact O-N 2.9Å; E131-K191 WeakPolarHBondContact OE1-CE 3.41Å; E131-K191 IonicContact OE1-NZ 2.66Å; E131-K191 PolarHBondContact OE1-NZ 3.47Å; E131-K191 WeakPolarHBondContact OE2-CD 3.48Å; E131-K191 IonicContact OE2-NZ 2.98Å; E131-K191 PolarHBondContact OE2-NZ 2.74Å
132	L	96.1	Very high	95.2	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.11	17%	0.167	C	C	.	.			trans	-80.9	108.6	176.8	179.9	63.2	0	0	0	111.4	L59 E69 V78 A80 L130 R134	L59-L132 HydrophobicContact CD1-CD1 3.86Å; E69-L132 HydrophobicContact CG-CD1 4.12Å; E69-L132 HydrophobicContact CG-CD2 4.19Å; V78-L132 HydrophobicContact CB-CD2 4.24Å; V78-L132 HydrophobicContact CG1-CD2 3.69Å; A80-L132 HydrophobicContact CB-CD1 4.18Å; L130-L132 PolarHBondContact O-N 2.75Å; L132-R134 HydrophobicContact CD2-CG 3.84Å; L132-R134 HydrophobicContact CG-CG 3.85Å; L132-R134 PolarHBondContact O-N 3.07Å
133	C	95.3	Very high	94.9	Very high	16 Å²	16	34.5 Å²	34.5	11%	0.108	16%	0.163	C	C	.	.			trans	-89.3	90.7	172.1	-64.8	0	0	0	0	111.1	E131 R135 R136 F183 L184	E131-C133 PolarHBondContact O-N 2.9Å; C133-R135 VanDerWaalsContact C-N 3.26Å; C133-R135 PolarHBondContact O-N 3.41Å; C133-R136 PolarHBondContact O-N 2.85Å; C133-R136 VanDerWaalsContact O-N 3.13Å; C133-F183 HydrophobicContact CB-CB 3.55Å; C133-F183 HydrophobicContact CB-CD1 4.49Å; C133-F183 HydrophobicContact CB-CG 4.34Å; C133-F183 VanDerWaalsContact SG-CB 3.56Å; C133-L184 CarbonylContact C-O 3.6Å; C133-L184 VanDerWaalsContact C-O 3.29Å; C133-L184 WeakPolarHBondContact CB-O 3.46Å
134	R	88.6	Confident	94.6	Very high	102 Å²	102	28.8 Å²	28.8	39%	0.385	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22	-170.4	-66.8	-179.1	179.7	-89.2	3.6	114.6	L132 R136 E186	L132-R134 HydrophobicContact CD2-CG 3.84Å; L132-R134 HydrophobicContact CG-CG 3.85Å; L132-R134 PolarHBondContact O-N 3.07Å; R134-R136 VanDerWaalsContact C-N 3.3Å; R134-E186 HydrophobicContact CB-CG 4.14Å; R134-E186 WeakPolarHBondContact CB-OE1 3.32Å; R134-E186 WeakPolarHBondContact CD-OE1 3.38Å; R134-E186 HydrophobicContact CG-CG 4.36Å; R134-E186 WeakPolarHBondContact CG-OE1 3.47Å
135	R	90.7	Very high	94.4	Very high	70 Å²	70	27.2 Å²	27.2	26%	0.264	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	16.2	178	-53	-57.1	-179.8	174.8	-2.8	112.9	C133 L184 N185 E186 L188 L319	C133-R135 VanDerWaalsContact C-N 3.26Å; C133-R135 PolarHBondContact O-N 3.41Å; R135-L184 CarbonylContact C-O 3.48Å; R135-L184 WeakPolarHBondContact CA-O 3.49Å; R135-L184 HydrophobicContact CB-CB 3.74Å; R135-L184 WeakPolarHBondContact CB-O 3.47Å; R135-L184 PolarHBondContact N-O 3.27Å; R135-N185 WeakPolarHBondContact CB-O 3.33Å; R135-N185 WeakPolarHBondContact CG-O 3.39Å; R135-E186 IonicContact CZ-OE2 3.93Å; R135-E186 IonicContact NE-OE1 3.65Å; R135-E186 IonicContact NE-OE2 2.91Å; R135-E186 PolarHBondContact NE-OE2 2.98Å; R135-E186 IonicContact NH2-OE1 2.74Å; R135-E186 IonicContact NH2-OE2 3.79Å; R135-E186 PolarHBondContact NH2-OE2 3.32Å; R135-L188 HydrophobicContact CB-CD2 4.11Å; R135-L188 HydrophobicContact CG-CD2 4.01Å; R135-L319 HydrophobicContact CB-CD1 4.43Å; R135-L319 HydrophobicContact CG-CD1 4.38Å
136	R	91.6	Very high	94.3	Very high	57 Å²	57	31.4 Å²	31.4	22%	0.215	14%	0.138	C	C	.	.			trans	63.9	-126.2	174.3	-55.5	-168.3	167.5	108.4	10.7	112.4	C133 R134 E140 F183 L184 P403 A404	C133-R136 PolarHBondContact O-N 2.85Å; C133-R136 VanDerWaalsContact O-N 3.13Å; R134-R136 VanDerWaalsContact C-N 3.3Å; R136-E140 HydrophobicContact CB-CB 4.4Å; R136-E140 HydrophobicContact CB-CG 4.15Å; R136-E140 WeakPolarHBondContact CB-OE2 3.42Å; R136-F183 CarbonylContact O-C 3.57Å; R136-F183 WeakPolarHBondContact O-CA 3.46Å; R136-F183 WeakPolarHBondContact O-CB 3.41Å; R136-L184 PolarHBondContact O-N 3.11Å; R136-P403 PolarHBondContact NH1-O 2.87Å; R136-P403 VanDerWaalsContact NH2-CB 3.33Å; R136-P403 PolarHBondContact NH2-O 2.9Å; R136-A404 VanDerWaalsContact CZ-N 3.28Å; R136-A404 PolarHBondContact NH1-O 2.87Å
137	S	96.3	Very high	94.2	Very high	4 Å²	4	33 Å²	33	3%	0.028	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-130.5	166.9	-177.9	76.9	0	0	0	0	112.4	L139 E140 L141 L179 L182	S137-L139 PolarHBondContact O-N 2.87Å; S137-L139 VanDerWaalsContact O-N 3.08Å; S137-L139 VanDerWaalsContact OG-CB 3.3Å; S137-L139 WeakPolarHBondContact OG-CB 3.38Å; S137-L139 PolarHBondContact OG-N 2.92Å; S137-E140 WeakPolarHBondContact CB-OE2 3.43Å; S137-E140 PolarHBondContact N-OE2 2.82Å; S137-E140 PolarHBondContact O-N 2.76Å; S137-E140 VanDerWaalsContact O-N 3.08Å; S137-E140 PolarHBondContact OG-OE2 2.82Å; S137-L141 PolarHBondContact O-N 3.25Å; S137-L179 WeakPolarHBondContact CB-O 3.42Å; S137-L179 PolarHBondContact OG-O 2.91Å; S137-L182 CarbonylContact C-O 3.57Å; S137-L182 WeakPolarHBondContact CA-O 3.29Å; S137-L182 WeakPolarHBondContact CB-O 3.46Å
138	L	97.9	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-18.3	172.2	-70.2	177.6	0	0	0	112.6	L141 H142 Y156 I160 L179 L182 L184	L138-L141 HydrophobicContact CD2-CD2 3.71Å; L138-H142 WeakPolarHBondContact O-CB 3.24Å; L138-H142 PolarHBondContact O-N 2.9Å; L138-Y156 HydrophobicContact CD2-CD1 3.8Å; L138-Y156 HydrophobicContact CD2-CD2 4.09Å; L138-Y156 HydrophobicContact CD2-CE1 3.93Å; L138-Y156 HydrophobicContact CD2-CE2 4.24Å; L138-Y156 HydrophobicContact CD2-CG 3.88Å; L138-I160 HydrophobicContact CD1-CD1 3.96Å; L138-L179 HydrophobicContact CB-CB 4.24Å; L138-L179 HydrophobicContact CB-CD2 3.93Å; L138-L179 HydrophobicContact CD1-CD2 4.49Å; L138-L179 PolarHBondContact N-O 3.24Å; L138-L182 HydrophobicContact CB-CB 4.38Å; L138-L182 HydrophobicContact CD1-CB 3.77Å; L138-L182 HydrophobicContact CD1-CD1 3.85Å; L138-L182 HydrophobicContact CD1-CG 4.47Å; L138-L182 HydrophobicContact CG-CB 4.12Å; L138-L182 PolarHBondContact N-O 2.93Å; L138-L184 HydrophobicContact CD2-CD1 4.09Å; L138-L184 HydrophobicContact CD2-CD2 4.05Å; L138-L184 HydrophobicContact CD2-CG 4.35Å; L138-L184 HydrophobicContact CG-CD2 4.43Å
139	L	95.5	Very high	94.1	Very high	57 Å²	57	34.9 Å²	34.9	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-64.7	-45.2	173.4	-179.5	63.7	0	0	0	111.6	S137 H142 K143 L179	S137-L139 PolarHBondContact O-N 2.87Å; S137-L139 VanDerWaalsContact O-N 3.08Å; S137-L139 VanDerWaalsContact OG-CB 3.3Å; S137-L139 WeakPolarHBondContact OG-CB 3.38Å; S137-L139 PolarHBondContact OG-N 2.92Å; L139-H142 PolarHBondContact O-N 2.63Å; L139-K143 WeakPolarHBondContact O-CG 3.36Å; L139-K143 PolarHBondContact O-N 2.75Å; L139-L179 HydrophobicContact CB-CB 4.04Å; L139-L179 HydrophobicContact CD1-CB 4.48Å; L139-L179 PolarHBondContact N-O 3.38Å; L139-L179 VanDerWaalsContact N-O 3.16Å
140	E	92.6	Very high	93.9	Very high	28 Å²	28	37.2 Å²	37.2	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-38.8	178	-73.9	69.5	-130.6	0	0	111.2	R136 S137 K143 R144 A404	R136-E140 HydrophobicContact CB-CB 4.4Å; R136-E140 HydrophobicContact CB-CG 4.15Å; R136-E140 WeakPolarHBondContact CB-OE2 3.42Å; S137-E140 WeakPolarHBondContact CB-OE2 3.43Å; S137-E140 PolarHBondContact N-OE2 2.82Å; S137-E140 PolarHBondContact O-N 2.76Å; S137-E140 VanDerWaalsContact O-N 3.08Å; S137-E140 PolarHBondContact OG-OE2 2.82Å; E140-K143 PolarHBondContact O-N 2.8Å; E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 3.09Å; E140-R144 VanDerWaalsContact O-N 3.16Å; E140-A404 HydrophobicContact CG-CB 4.2Å
141	L	94.6	Very high	93.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-51.4	172.2	175.2	62.6	0	0	0	110.9	S137 L138 K143 R144 R145 L148 Y156 L319	S137-L141 PolarHBondContact O-N 3.25Å; L138-L141 HydrophobicContact CD2-CD2 3.71Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.44Å; L141-R144 CarbonylContact O-C 3.5Å; L141-R144 PolarHBondContact O-N 2.94Å; L141-R145 HydrophobicContact CD1-CB 4.32Å; L141-R145 HydrophobicContact CD1-CG 3.74Å; L141-R145 WeakPolarHBondContact O-CB 3.19Å; L141-R145 PolarHBondContact O-N 2.86Å; L141-L148 HydrophobicContact CD2-CD1 3.92Å; L141-L148 HydrophobicContact CD2-CD2 4.38Å; L141-L148 HydrophobicContact CG-CD2 4.28Å; L141-Y156 HydrophobicContact CD2-CD2 4.41Å; L141-Y156 HydrophobicContact CD2-CE2 3.54Å; L141-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L141-L319 HydrophobicContact CD1-CD2 4.08Å
142	H	95	Very high	93.8	Very high	18 Å²	18	35 Å²	35	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-39	179.8	173.4	73.4	0	0	0	112.5	L138 L139 R144 K146 L179 G247	L138-H142 WeakPolarHBondContact O-CB 3.24Å; L138-H142 PolarHBondContact O-N 2.9Å; L139-H142 PolarHBondContact O-N 2.63Å; H142-R144 VanDerWaalsContact C-N 3.29Å; H142-R144 PolarHBondContact O-N 3.13Å; H142-K146 PolarHBondContact ND1-O 3.19Å; H142-K146 VanDerWaalsContact ND1-O 3.16Å; H142-K146 WeakPolarHBondContact O-CA 3.36Å; H142-K146 PolarHBondContact O-N 3.12Å; H142-L179 HydrophobicContact CB-CD1 3.74Å; H142-G247 VanDerWaalsContact CE1-C 3.42Å; H142-G247 PolarHBondContact CE1-O 3.49Å
143	K	89.7	Confident	93.9	Very high	51 Å²	51	34 Å²	34	22%	0.222	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-41	173.7	-76.3	174	179.6	170.4	0	111.8	L139 E140 L141 M547	L139-K143 WeakPolarHBondContact O-CG 3.36Å; L139-K143 PolarHBondContact O-N 2.75Å; E140-K143 PolarHBondContact O-N 2.8Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.44Å; K143-M547 HydrophobicContact CB-CE 4.43Å; K143-M547 HydrophobicContact CB-SD 3.65Å; K143-M547 HydrophobicContact CD-CE 4.19Å; K143-M547 HydrophobicContact CD-SD 4.46Å
144	R	87.5	Confident	94.1	Very high	29 Å²	29	34 Å²	34	11%	0.109	16%	0.158	C	C	.	.	H	α-helix	trans	-79	-29.4	-178.6	-68.4	177	-173.3	-106.1	1.1	114.8	E140 L141 H142 A404 C405 I406 L546 M547	E140-R144 WeakPolarHBondContact O-CG 3.5Å; E140-R144 PolarHBondContact O-N 3.09Å; E140-R144 VanDerWaalsContact O-N 3.16Å; L141-R144 CarbonylContact O-C 3.5Å; L141-R144 PolarHBondContact O-N 2.94Å; H142-R144 VanDerWaalsContact C-N 3.29Å; H142-R144 PolarHBondContact O-N 3.13Å; R144-A404 PolarHBondContact NH2-O 3.39Å; R144-C405 PolarHBondContact NH2-O 3.44Å; R144-I406 PolarHBondContact NH1-O 3.02Å; R144-I406 VanDerWaalsContact NH1-O 3.08Å; R144-I406 PolarHBondContact NH2-O 3.21Å; R144-L546 WeakPolarHBondContact O-CD1 3.36Å; R144-M547 HydrophobicContact CG-CG 3.88Å; R144-M547 HydrophobicContact CG-SD 3.5Å; R144-M547 VanDerWaalsContact CG-SD 3.5Å
145	R	90.7	Very high	94.5	Very high	22 Å²	22	29.9 Å²	29.9	8%	0.083	14%	0.142	C	C	.	.	H	α-helix	trans	-116.9	-17.9	-170.5	-73.1	-70.2	-51.8	-71.1	-16.4	114.2	L141 A147 L148 E152 C318 T320 I321 P322	L141-R145 HydrophobicContact CD1-CB 4.32Å; L141-R145 HydrophobicContact CD1-CG 3.74Å; L141-R145 WeakPolarHBondContact O-CB 3.19Å; L141-R145 PolarHBondContact O-N 2.86Å; R145-A147 PolarHBondContact O-N 2.92Å; R145-A147 VanDerWaalsContact O-O 3.13Å; R145-L148 HydrophobicContact CB-CD2 3.62Å; R145-L148 HydrophobicContact CG-CD2 4.28Å; R145-E152 IonicContact CZ-OE1 3.51Å; R145-E152 IonicContact CZ-OE2 2.63Å; R145-E152 IonicContact NH1-OE1 2.77Å; R145-E152 PolarHBondContact NH1-OE1 3.4Å; R145-E152 IonicContact NH1-OE2 3.97Å; R145-E152 IonicContact NH2-OE1 2.88Å; R145-E152 PolarHBondContact NH2-OE1 3.18Å; R145-E152 IonicContact NH2-OE2 2.92Å; R145-E152 PolarHBondContact NH2-OE2 3.29Å; R145-C318 PolarHBondContact NH1-O 2.92Å; R145-T320 WeakPolarHBondContact CD-O 3.23Å; R145-I321 PolarHBondContact NH1-O 2.91Å; R145-I321 VanDerWaalsContact NH1-O 3.09Å; R145-P322 VanDerWaalsContact CZ-N 3.27Å; R145-P322 VanDerWaalsContact NH2-CA 3.26Å
146	K	92.5	Very high	94.9	Very high	95 Å²	95	26.5 Å²	26.5	41%	0.413	13%	0.13	S	C	.	.	S	Bend	trans	55.7	-114.3	-170.4	-59	-63.5	-178.9	175.3	0	111.1	H142	H142-K146 PolarHBondContact ND1-O 3.19Å; H142-K146 VanDerWaalsContact ND1-O 3.16Å; H142-K146 WeakPolarHBondContact O-CA 3.36Å; H142-K146 PolarHBondContact O-N 3.12Å
147	A	94.6	Very high	95.3	Very high	43 Å²	43	23.9 Å²	23.9	36%	0.355	12%	0.12	S	C	.	.	S	Bend	trans	-71.4	133.2	174.4	0	0	0	0	0	110.1	R145 L244 L245	R145-A147 PolarHBondContact O-N 2.92Å; R145-A147 VanDerWaalsContact O-O 3.13Å; A147-L244 CarbonylContact C-O 3.5Å; A147-L244 WeakPolarHBondContact CA-O 3.35Å; A147-L245 WeakPolarHBondContact CB-O 3.46Å
148	L	96.5	Very high	95.4	Very high	10 Å²	10	29 Å²	29	5%	0.052	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-92.2	160	172	-56.6	-172.6	0	0	0	109.8	L141 R145 E152 Y156 L244	L141-L148 HydrophobicContact CD2-CD1 3.92Å; L141-L148 HydrophobicContact CD2-CD2 4.38Å; L141-L148 HydrophobicContact CG-CD2 4.28Å; R145-L148 HydrophobicContact CB-CD2 3.62Å; R145-L148 HydrophobicContact CG-CD2 4.28Å; L148-E152 HydrophobicContact CB-CB 4.04Å; L148-E152 HydrophobicContact CD1-CB 4.35Å; L148-Y156 HydrophobicContact CD1-CD2 3.81Å; L148-Y156 HydrophobicContact CD1-CE2 3.79Å; L148-L244 HydrophobicContact CD1-CD2 3.9Å; L148-L244 HydrophobicContact CG-CD2 4.48Å; L148-L244 PolarHBondContact N-O 2.84Å
149	T	95.6	Very high	95.4	Very high	41 Å²	41	29.3 Å²	29.3	25%	0.252	14%	0.14	S	C	.	.	P	Polyproline II helix	trans	-68.1	157.4	169.4	61.8	0	0	0	0	110.6	E152 A153 P322 F325	T149-E152 WeakPolarHBondContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.24Å; T149-E152 PolarHBondContact N-OE2 3.27Å; T149-E152 WeakPolarHBondContact O-CB 3.42Å; T149-E152 PolarHBondContact O-N 3.44Å; T149-E152 WeakPolarHBondContact OG1-CB 3.43Å; T149-E152 VanDerWaalsContact OG1-CD 3.29Å; T149-E152 WeakPolarHBondContact OG1-CG 3.28Å; T149-E152 PolarHBondContact OG1-N 3.13Å; T149-E152 PolarHBondContact OG1-OE2 3.2Å; T149-A153 PolarHBondContact O-N 3.03Å; T149-P322 HydrophobicContact CG2-CB 4.27Å; T149-F325 HydrophobicContact CG2-CE2 4.44Å; T149-F325 VanDerWaalsContact OG1-CE2 3.23Å; T149-F325 WeakPolarHBondContact OG1-CE2 3.37Å
150	E	95.6	Very high	95.6	Very high	51 Å²	51	26.6 Å²	26.6	24%	0.238	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-41.5	178.9	-64.7	-171.5	172.6	0	0	114.4	E152 A153 R154 L245 N275	E150-E152 VanDerWaalsContact C-N 3.33Å; E150-E152 PolarHBondContact O-N 3.41Å; E150-A153 WeakPolarHBondContact O-CB 3.07Å; E150-A153 PolarHBondContact O-N 3.3Å; E150-R154 WeakPolarHBondContact O-CG 3.48Å; E150-R154 PolarHBondContact O-N 2.97Å; E150-R154 IonicContact OE2-CZ 3.25Å; E150-R154 IonicContact OE2-NH1 2.75Å; E150-R154 IonicContact OE2-NH2 2.92Å; E150-R154 PolarHBondContact OE2-NH2 3.42Å; E150-L245 HydrophobicContact CG-CD2 4.01Å; E150-N275 WeakPolarHBondContact OE1-CB 3.38Å
151	P	96.1	Very high	95.9	Very high	18 Å²	18	25.3 Å²	25.3	12%	0.117	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-35.2	178.1	-21.7	35.6	0	0	0	112.6	R154 Y155 Y309 P311 F325	P151-R154 PolarHBondContact O-N 3.48Å; P151-Y155 WeakPolarHBondContact O-CB 3.47Å; P151-Y155 PolarHBondContact O-N 3.38Å; P151-Y309 HydrophobicContact CB-CD1 3.96Å; P151-Y309 HydrophobicContact CG-CD1 4.29Å; P151-P311 HydrophobicContact CB-CG 3.91Å; P151-P311 VanDerWaalsContact O-CD 3.32Å; P151-P311 WeakPolarHBondContact O-CD 3.4Å; P151-F325 HydrophobicContact CB-CD1 4.09Å; P151-F325 HydrophobicContact CB-CD2 3.85Å; P151-F325 HydrophobicContact CB-CE1 3.89Å; P151-F325 HydrophobicContact CB-CE2 3.66Å; P151-F325 HydrophobicContact CB-CG 4.03Å; P151-F325 HydrophobicContact CB-CZ 3.66Å; P151-F325 HydrophobicContact CG-CB 4.46Å; P151-F325 HydrophobicContact CG-CD1 4.42Å; P151-F325 HydrophobicContact CG-CD2 3.57Å; P151-F325 HydrophobicContact CG-CE2 3.82Å; P151-F325 HydrophobicContact CG-CG 3.87Å; P151-F325 HydrophobicContact CG-CZ 4.32Å
152	E	97.4	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-45.7	169.9	-71	172.4	115.5	0	0	111	R145 L148 T149 E150 R154 Y155 Y156 L314 P323 F325	R145-E152 IonicContact CZ-OE1 3.51Å; R145-E152 IonicContact CZ-OE2 2.63Å; R145-E152 IonicContact NH1-OE1 2.77Å; R145-E152 PolarHBondContact NH1-OE1 3.4Å; R145-E152 IonicContact NH1-OE2 3.97Å; R145-E152 IonicContact NH2-OE1 2.88Å; R145-E152 PolarHBondContact NH2-OE1 3.18Å; R145-E152 IonicContact NH2-OE2 2.92Å; R145-E152 PolarHBondContact NH2-OE2 3.29Å; L148-E152 HydrophobicContact CB-CB 4.04Å; L148-E152 HydrophobicContact CD1-CB 4.35Å; T149-E152 WeakPolarHBondContact CB-OE2 3.3Å; T149-E152 WeakPolarHBondContact CG2-OE2 3.24Å; T149-E152 PolarHBondContact N-OE2 3.27Å; T149-E152 WeakPolarHBondContact O-CB 3.42Å; T149-E152 PolarHBondContact O-N 3.44Å; T149-E152 WeakPolarHBondContact OG1-CB 3.43Å; T149-E152 VanDerWaalsContact OG1-CD 3.29Å; T149-E152 WeakPolarHBondContact OG1-CG 3.28Å; T149-E152 PolarHBondContact OG1-N 3.13Å; T149-E152 PolarHBondContact OG1-OE2 3.2Å; E150-E152 VanDerWaalsContact C-N 3.33Å; E150-E152 PolarHBondContact O-N 3.41Å; E152-R154 PolarHBondContact O-N 3.13Å; E152-Y155 WeakPolarHBondContact O-CB 3.43Å; E152-Y155 PolarHBondContact O-N 2.85Å; E152-Y156 HydrophobicContact CB-CE2 4.41Å; E152-Y156 WeakPolarHBondContact O-CD2 3.35Å; E152-Y156 PolarHBondContact O-N 3.29Å; E152-L314 HydrophobicContact CB-CD1 4.36Å; E152-L314 HydrophobicContact CG-CD1 4.06Å; E152-L314 HydrophobicContact CG-CD2 4.23Å; E152-P323 HydrophobicContact CG-CG 3.73Å; E152-P323 WeakPolarHBondContact OE1-CD 3.22Å; E152-P323 WeakPolarHBondContact OE2-CD 3.32Å; E152-F325 HydrophobicContact CG-CE2 4.21Å; E152-F325 HydrophobicContact CG-CZ 3.97Å
153	A	98.3	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-44.4	178.3	0	0	0	0	0	111.5	T149 E150 Y156 L157 L245 F304	T149-A153 PolarHBondContact O-N 3.03Å; E150-A153 WeakPolarHBondContact O-CB 3.07Å; E150-A153 PolarHBondContact O-N 3.3Å; A153-Y156 PolarHBondContact O-N 2.98Å; A153-L157 HydrophobicContact CB-CD1 4.4Å; A153-L157 WeakPolarHBondContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CD1 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.47Å; A153-L157 PolarHBondContact O-N 3.48Å; A153-L245 HydrophobicContact CB-CD2 3.57Å; A153-L245 HydrophobicContact CB-CG 4.09Å; A153-F304 HydrophobicContact CB-CZ 4.48Å
154	R	98.4	Very high	96.7	Very high	17 Å²	17	23.9 Å²	23.9	6%	0.064	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-45.1	173.8	-70.7	179.2	-162.7	99.8	10	112	E150 P151 E152 Y156 L157 R158 F304 F305 Y309 I310	E150-R154 WeakPolarHBondContact O-CG 3.48Å; E150-R154 PolarHBondContact O-N 2.97Å; E150-R154 IonicContact OE2-CZ 3.25Å; E150-R154 IonicContact OE2-NH1 2.75Å; E150-R154 IonicContact OE2-NH2 2.92Å; E150-R154 PolarHBondContact OE2-NH2 3.42Å; P151-R154 PolarHBondContact O-N 3.48Å; E152-R154 PolarHBondContact O-N 3.13Å; R154-Y156 PolarHBondContact O-N 3.37Å; R154-L157 PolarHBondContact O-N 3.19Å; R154-R158 WeakPolarHBondContact O-CB 3.27Å; R154-R158 PolarHBondContact O-N 2.81Å; R154-F304 HydrophobicContact CB-CE1 4.38Å; R154-F304 VanDerWaalsContact CD-O 3.26Å; R154-F304 WeakPolarHBondContact CD-O 3.44Å; R154-F304 HydrophobicContact CG-CD1 4.1Å; R154-F304 HydrophobicContact CG-CE1 3.47Å; R154-F304 VanDerWaalsContact CG-CE1 3.47Å; R154-F304 HydrophobicContact CG-CE2 4.13Å; R154-F304 HydrophobicContact CG-CZ 3.48Å; R154-F304 VanDerWaalsContact CG-CZ 3.48Å; R154-F304 PolarHBondContact NE-O 3.07Å; R154-F305 HydrophobicContact CB-CD1 4.5Å; R154-Y309 WeakPolarHBondContact CD-O 3.5Å; R154-Y309 PolarHBondContact NH1-O 2.68Å; R154-I310 HydrophobicContact CB-CG1 4.02Å
155	Y	98.4	Very high	97.3	Very high	14 Å²	14	24.3 Å²	24.3	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-56.1	-49.8	178.7	173.8	-101.7	0	0	0	111.9	P151 E152 Q159 L188 P311 L314	P151-Y155 WeakPolarHBondContact O-CB 3.47Å; P151-Y155 PolarHBondContact O-N 3.38Å; E152-Y155 WeakPolarHBondContact O-CB 3.43Å; E152-Y155 PolarHBondContact O-N 2.85Å; Y155-Q159 WeakPolarHBondContact O-CG 3.45Å; Y155-Q159 PolarHBondContact O-NE2 3.46Å; Y155-Q159 VanDerWaalsContact O-NE2 3.08Å; Y155-L188 WeakPolarHBondContact CE1-O 3.09Å; Y155-L188 PolarHBondContact OH-O 2.86Å; Y155-P311 VanDerWaalsContact CD2-O 3.29Å; Y155-P311 WeakPolarHBondContact CD2-O 3.1Å; Y155-L314 HydrophobicContact CD1-CD1 3.29Å; Y155-L314 HydrophobicContact CD1-CG 3.64Å; Y155-L314 HydrophobicContact CD2-CG 4.49Å; Y155-L314 HydrophobicContact CE1-CB 4.28Å; Y155-L314 HydrophobicContact CE1-CD1 3.75Å; Y155-L314 HydrophobicContact CE1-CG 3.85Å; Y155-L314 HydrophobicContact CG-CD1 3.93Å; Y155-L314 HydrophobicContact CG-CG 3.96Å
156	Y	98.8	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71.6	-46	179	-65.5	-57.2	0	0	0	112.1	L138 L141 L148 E152 A153 R154 R158 Q159 I160 L184 V190 L314	L138-Y156 HydrophobicContact CD2-CD1 3.8Å; L138-Y156 HydrophobicContact CD2-CD2 4.09Å; L138-Y156 HydrophobicContact CD2-CE1 3.93Å; L138-Y156 HydrophobicContact CD2-CE2 4.24Å; L138-Y156 HydrophobicContact CD2-CG 3.88Å; L141-Y156 HydrophobicContact CD2-CD2 4.41Å; L141-Y156 HydrophobicContact CD2-CE2 3.54Å; L141-Y156 WeakPolarHBondContact CD2-OH 3.3Å; L148-Y156 HydrophobicContact CD1-CD2 3.81Å; L148-Y156 HydrophobicContact CD1-CE2 3.79Å; E152-Y156 HydrophobicContact CB-CE2 4.41Å; E152-Y156 WeakPolarHBondContact O-CD2 3.35Å; E152-Y156 PolarHBondContact O-N 3.29Å; A153-Y156 PolarHBondContact O-N 2.98Å; R154-Y156 PolarHBondContact O-N 3.37Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 3.47Å; Y156-Q159 PolarHBondContact O-N 2.77Å; Y156-I160 WeakPolarHBondContact O-CD1 3.38Å; Y156-I160 VanDerWaalsContact O-CG1 3.23Å; Y156-I160 WeakPolarHBondContact O-CG1 3.37Å; Y156-I160 PolarHBondContact O-N 2.95Å; Y156-L184 HydrophobicContact CD1-CD2 4.18Å; Y156-L184 HydrophobicContact CE1-CD2 3.74Å; Y156-V190 HydrophobicContact CD1-CG2 3.7Å; Y156-V190 HydrophobicContact CG-CG2 4.5Å; Y156-L314 HydrophobicContact CE1-CD1 4.33Å; Y156-L314 HydrophobicContact CE2-CD1 3.82Å
157	L	98.8	Very high	97.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-38.9	-179	-72.7	165.8	0	0	0	112.1	A153 R154 Q159 I160 V161 I237 I240 M241 L244 F304 F305	A153-L157 HydrophobicContact CB-CD1 4.4Å; A153-L157 WeakPolarHBondContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CD1 3.25Å; A153-L157 WeakPolarHBondContact O-CG 3.47Å; A153-L157 PolarHBondContact O-N 3.48Å; R154-L157 PolarHBondContact O-N 3.19Å; L157-Q159 VanDerWaalsContact C-N 3.3Å; L157-Q159 PolarHBondContact O-N 3.12Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 2.91Å; L157-V161 WeakPolarHBondContact O-CB 3.45Å; L157-V161 VanDerWaalsContact O-CG2 3.24Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 2.92Å; L157-I237 HydrophobicContact CD2-CG2 4.17Å; L157-I240 HydrophobicContact CD2-CG2 4.27Å; L157-M241 HydrophobicContact CD1-CB 3.79Å; L157-M241 HydrophobicContact CD1-CG 3.61Å; L157-M241 HydrophobicContact CD1-SD 4.13Å; L157-M241 HydrophobicContact CD2-CB 3.94Å; L157-L244 HydrophobicContact CG-CD1 4.4Å; L157-F304 HydrophobicContact CD1-CE1 3.84Å; L157-F304 HydrophobicContact CD1-CZ 4.32Å; L157-F305 HydrophobicContact CB-CE1 3.91Å; L157-F305 HydrophobicContact CB-CZ 3.83Å
158	R	98.8	Very high	98.1	Very high	111 Å²	111	19.2 Å²	19.2	42%	0.419	9%	0.088	S	C	.	.	H	α-helix	trans	-56	-47.6	175.6	178.7	179.7	176.1	-81	-1.8	111.1	R154 Y156 V161 L162 L300 F305	R154-R158 WeakPolarHBondContact O-CB 3.27Å; R154-R158 PolarHBondContact O-N 2.81Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 3.47Å; R158-V161 PolarHBondContact O-N 2.78Å; R158-L162 HydrophobicContact CG-CD1 4.14Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.27Å; R158-L162 PolarHBondContact O-N 3.37Å; R158-L300 HydrophobicContact CB-CD2 4.32Å; R158-L300 HydrophobicContact CG-CD2 4.08Å; R158-F305 HydrophobicContact CB-CD1 4.47Å; R158-F305 HydrophobicContact CB-CE1 4.23Å
159	Q	98.8	Very high	98.2	Very high	7 Å²	7	28 Å²	28	3%	0.033	12%	0.121	C	C	.	.	H	α-helix	trans	-69.3	-39.5	-179.3	-63.6	177.5	67.4	0	0	112.5	H112 Y155 Y156 L157 V161 L162 G163 V190	H112-Q159 WeakPolarHBondContact CB-O 3.38Å; H112-Q159 VanDerWaalsContact CE1-CG 3.43Å; H112-Q159 WeakPolarHBondContact CE1-CG 3.35Å; H112-Q159 PolarHBondContact CE1-OE1 3.2Å; H112-Q159 PolarHBondContact ND1-OE1 3.12Å; Y155-Q159 WeakPolarHBondContact O-CG 3.45Å; Y155-Q159 PolarHBondContact O-NE2 3.46Å; Y155-Q159 VanDerWaalsContact O-NE2 3.08Å; Y156-Q159 PolarHBondContact O-N 2.77Å; L157-Q159 VanDerWaalsContact C-N 3.3Å; L157-Q159 PolarHBondContact O-N 3.12Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; Q159-L162 PolarHBondContact O-N 3.45Å; Q159-G163 PolarHBondContact O-N 2.9Å; Q159-V190 HydrophobicContact CB-CB 3.88Å; Q159-V190 HydrophobicContact CB-CG2 4.02Å
160	I	98.9	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-47.1	173.8	-65	160.5	0	0	0	110.1	L138 Y156 L157 G163 C164 L182 V190 I237 I240	L138-I160 HydrophobicContact CD1-CD1 3.96Å; Y156-I160 WeakPolarHBondContact O-CD1 3.38Å; Y156-I160 VanDerWaalsContact O-CG1 3.23Å; Y156-I160 WeakPolarHBondContact O-CG1 3.37Å; Y156-I160 PolarHBondContact O-N 2.95Å; L157-I160 HydrophobicContact CD2-CD1 4.33Å; L157-I160 PolarHBondContact O-N 2.91Å; I160-G163 PolarHBondContact O-N 3.32Å; I160-C164 WeakPolarHBondContact O-CB 3.46Å; I160-C164 PolarHBondContact O-N 3.01Å; I160-L182 HydrophobicContact CD1-CD1 3.61Å; I160-L182 HydrophobicContact CG1-CD1 3.92Å; I160-L182 HydrophobicContact CG1-CD2 4.09Å; I160-L182 HydrophobicContact CG2-CD2 4.38Å; I160-V190 HydrophobicContact CG1-CG1 3.88Å; I160-V190 HydrophobicContact CG1-CG2 4.4Å; I160-I237 HydrophobicContact CG2-CD1 4.18Å; I160-I237 HydrophobicContact CG2-CG1 3.93Å; I160-I240 HydrophobicContact CD1-CG2 4.13Å
161	V	98.9	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-46.2	179	173.2	0	0	0	0	110.6	L157 R158 Q159 G163 C164 Q165 I237 I296 L299 L300	L157-V161 WeakPolarHBondContact O-CB 3.45Å; L157-V161 VanDerWaalsContact O-CG2 3.24Å; L157-V161 WeakPolarHBondContact O-CG2 3.4Å; L157-V161 PolarHBondContact O-N 2.92Å; R158-V161 PolarHBondContact O-N 2.78Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; V161-G163 PolarHBondContact O-N 3.15Å; V161-C164 CarbonylContact O-C 3.54Å; V161-C164 PolarHBondContact O-N 3.21Å; V161-C164 VanDerWaalsContact O-N 3.16Å; V161-Q165 HydrophobicContact CG1-CG 4.2Å; V161-Q165 WeakPolarHBondContact O-CB 3.33Å; V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.4Å; V161-Q165 PolarHBondContact O-N 3.4Å; V161-I237 HydrophobicContact CG2-CG2 4.38Å; V161-I296 HydrophobicContact CG1-CD1 4.25Å; V161-I296 HydrophobicContact CG1-CG1 4.3Å; V161-L299 HydrophobicContact CG1-CB 3.99Å; V161-L299 HydrophobicContact CG1-CD1 4.34Å; V161-L299 HydrophobicContact CG2-CB 4.21Å; V161-L299 HydrophobicContact CG2-CD1 3.77Å; V161-L300 HydrophobicContact CB-CD2 3.9Å; V161-L300 HydrophobicContact CB-CG 4.3Å; V161-L300 HydrophobicContact CG1-CD1 4.22Å; V161-L300 HydrophobicContact CG1-CD2 3.8Å; V161-L300 HydrophobicContact CG1-CG 3.65Å; V161-L300 HydrophobicContact CG2-CD2 4.49Å
162	L	98.9	Very high	98.5	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.209	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-44.3	175.8	-73.3	169.7	0	0	0	112.4	R158 Q159 Q165 Y166 L300	R158-L162 HydrophobicContact CG-CD1 4.14Å; R158-L162 VanDerWaalsContact O-CG 3.27Å; R158-L162 WeakPolarHBondContact O-CG 3.27Å; R158-L162 PolarHBondContact O-N 3.37Å; Q159-L162 PolarHBondContact O-N 3.45Å; L162-Q165 PolarHBondContact O-N 3.06Å; L162-Y166 PolarHBondContact O-N 2.98Å; L162-Y166 VanDerWaalsContact O-N 3.14Å; L162-L300 HydrophobicContact CD2-CD1 3.71Å; L162-L300 HydrophobicContact CG-CD1 3.99Å
163	G	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-43.6	174.7	0	0	0	0	0	112.2	Q159 I160 V161 Y166 L167	Q159-G163 PolarHBondContact O-N 2.9Å; I160-G163 PolarHBondContact O-N 3.32Å; V161-G163 PolarHBondContact O-N 3.15Å; G163-Y166 WeakPolarHBondContact O-CB 3.32Å; G163-Y166 PolarHBondContact O-N 3.01Å; G163-L167 WeakPolarHBondContact O-CG 3.21Å; G163-L167 PolarHBondContact O-N 3.42Å; G163-L167 VanDerWaalsContact O-N 3.1Å
164	C	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.1	-36.6	179.4	-163.3	0	0	0	0	112.8	I160 V161 Y166 L167 H168 I237 I296	I160-C164 WeakPolarHBondContact O-CB 3.46Å; I160-C164 PolarHBondContact O-N 3.01Å; V161-C164 CarbonylContact O-C 3.54Å; V161-C164 PolarHBondContact O-N 3.21Å; V161-C164 VanDerWaalsContact O-N 3.16Å; C164-Y166 VanDerWaalsContact C-N 3.28Å; C164-Y166 PolarHBondContact O-N 3.08Å; C164-L167 WeakPolarHBondContact O-CB 3.41Å; C164-L167 PolarHBondContact O-N 3.3Å; C164-L167 VanDerWaalsContact O-N 3.1Å; C164-H168 PolarHBondContact O-N 3.19Å; C164-H168 PolarHBondContact SG-NE2 2.88Å; C164-I237 HydrophobicContact CB-CD1 4.11Å; C164-I296 HydrophobicContact CB-CD1 3.69Å; C164-I296 HydrophobicContact CB-CG1 3.94Å
165	Q	98.8	Very high	98.5	Very high	38 Å²	38	31.9 Å²	31.9	18%	0.178	13%	0.132	C	C	.	.	H	α-helix	trans	-56	-45.2	170.6	-76.4	177.3	-18.3	0	0	110.6	V161 L162 L167 H168 R169 I296	V161-Q165 HydrophobicContact CG1-CG 4.2Å; V161-Q165 WeakPolarHBondContact O-CB 3.33Å; V161-Q165 VanDerWaalsContact O-CG 3.28Å; V161-Q165 WeakPolarHBondContact O-CG 3.4Å; V161-Q165 PolarHBondContact O-N 3.4Å; L162-Q165 PolarHBondContact O-N 3.06Å; Q165-L167 PolarHBondContact O-N 3.2Å; Q165-H168 PolarHBondContact O-N 3.32Å; Q165-R169 WeakPolarHBondContact O-CB 3.44Å; Q165-R169 PolarHBondContact O-N 2.85Å; Q165-I296 HydrophobicContact CG-CB 4.35Å; Q165-I296 HydrophobicContact CG-CG1 3.75Å; Q165-I296 HydrophobicContact CG-CG2 3.99Å; Q165-I296 PolarHBondContact NE2-O 3.09Å
166	Y	98.9	Very high	98.5	Very high	29 Å²	29	31.7 Å²	31.7	11%	0.114	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-44.1	174.6	172.8	-91	0	0	0	112.1	L108 A109 H110 V113 L162 G163 C164 N170	L108-Y166 HydrophobicContact CB-CE1 4.03Å; L108-Y166 HydrophobicContact CD2-CE1 3.69Å; L108-Y166 HydrophobicContact CG-CE1 4.41Å; A109-Y166 PolarHBondContact N-OH 2.72Å; A109-Y166 VanDerWaalsContact N-OH 3.07Å; A109-Y166 PolarHBondContact O-OH 3.13Å; H110-Y166 HydrophobicContact CB-CD1 3.61Å; H110-Y166 HydrophobicContact CB-CD2 3.87Å; H110-Y166 HydrophobicContact CB-CE1 3.84Å; H110-Y166 HydrophobicContact CB-CE2 4.07Å; H110-Y166 HydrophobicContact CB-CG 3.65Å; H110-Y166 AromaticContact CD2-CD2 3.56Å; H110-Y166 AromaticContact CD2-CG 3.66Å; H110-Y166 AromaticContact CG-CD2 3.89Å; H110-Y166 AromaticContact CG-CG 3.63Å; V113-Y166 HydrophobicContact CG2-CD1 4.18Å; L162-Y166 PolarHBondContact O-N 2.98Å; L162-Y166 VanDerWaalsContact O-N 3.14Å; G163-Y166 WeakPolarHBondContact O-CB 3.32Å; G163-Y166 PolarHBondContact O-N 3.01Å; C164-Y166 VanDerWaalsContact C-N 3.28Å; C164-Y166 PolarHBondContact O-N 3.08Å; Y166-N170 VanDerWaalsContact CE2-ND2 3.33Å; Y166-N170 WeakPolarHBondContact CE2-ND2 3.45Å; Y166-N170 VanDerWaalsContact CZ-ND2 3.33Å; Y166-N170 PolarHBondContact O-N 3.04Å; Y166-N170 PolarHBondContact O-ND2 2.79Å
167	L	98.8	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-50.2	177.1	-62.8	-177.3	0	0	0	111.6	L108 V113 G163 C164 Q165 R169 N170 R171 V172 H174 I192 F195	L108-L167 HydrophobicContact CD1-CD2 3.6Å; L108-L167 HydrophobicContact CD2-CD2 4.09Å; L108-L167 HydrophobicContact CG-CD2 4.42Å; V113-L167 HydrophobicContact CG2-CD2 4.17Å; G163-L167 WeakPolarHBondContact O-CG 3.21Å; G163-L167 PolarHBondContact O-N 3.42Å; G163-L167 VanDerWaalsContact O-N 3.1Å; C164-L167 WeakPolarHBondContact O-CB 3.41Å; C164-L167 PolarHBondContact O-N 3.3Å; C164-L167 VanDerWaalsContact O-N 3.1Å; Q165-L167 PolarHBondContact O-N 3.2Å; L167-R169 PolarHBondContact O-N 3.42Å; L167-N170 CarbonylContact O-C 3.57Å; L167-N170 WeakPolarHBondContact O-CA 3.29Å; L167-N170 PolarHBondContact O-N 2.81Å; L167-R171 PolarHBondContact O-N 3.35Å; L167-V172 CarbonylContact C-O 3.53Å; L167-V172 HydrophobicContact CB-CB 4.26Å; L167-V172 HydrophobicContact CD2-CG1 4.42Å; L167-V172 PolarHBondContact O-N 2.8Å; L167-H174 HydrophobicContact CD1-CB 4.16Å; L167-I192 HydrophobicContact CD1-CD1 4.47Å; L167-I192 HydrophobicContact CD1-CG2 4.29Å; L167-F195 HydrophobicContact CD1-CE1 4.08Å; L167-F195 HydrophobicContact CD2-CE1 3.74Å; L167-F195 HydrophobicContact CD2-CZ 4.09Å
168	H	98.5	Very high	98.4	Very high	24 Å²	24	33.6 Å²	33.6	11%	0.111	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-39	-177	-72.3	-164.3	0	0	0	111.7	C164 Q165 N170 R171 V172 F230 D233 I296	C164-H168 PolarHBondContact O-N 3.19Å; C164-H168 PolarHBondContact SG-NE2 2.88Å; Q165-H168 PolarHBondContact O-N 3.32Å; H168-N170 PolarHBondContact O-N 2.91Å; H168-R171 WeakPolarHBondContact O-CA 2.8Å; H168-R171 PolarHBondContact O-N 3.29Å; H168-V172 PolarHBondContact CD2-O 2.76Å; H168-F230 HydrophobicContact CB-CD1 4.03Å; H168-F230 HydrophobicContact CB-CE1 4.3Å; H168-F230 AromaticContact CD2-CD1 3.66Å; H168-F230 PolarHBondContact CE1-O 3.25Å; H168-F230 VanDerWaalsContact CE1-O 3.26Å; H168-F230 AromaticContact CG-CD1 3.6Å; H168-F230 AromaticContact ND1-CD1 3.88Å; H168-F230 AromaticContact NE2-CD1 3.95Å; H168-D233 IonicContact CD2-OD2 2.69Å; H168-D233 IonicContact CE1-OD2 3.12Å; H168-D233 IonicContact NE2-OD2 3.78Å; H168-D233 PolarHBondContact NE2-OD2 3.4Å; H168-I296 HydrophobicContact CB-CG2 4.02Å; H168-I296 WeakPolarHBondContact ND1-CG2 3.26Å
169	R	98.2	Very high	98.3	Very high	194 Å²	194	28.3 Å²	28.3	73%	0.732	12%	0.12	S	C	*	.	H	α-helix	trans	-61.4	-31.6	173	-175.6	173.4	64.9	176.2	-0.5	112.8	Q165 L167 R171	Q165-R169 WeakPolarHBondContact O-CB 3.44Å; Q165-R169 PolarHBondContact O-N 2.85Å; L167-R169 PolarHBondContact O-N 3.42Å; R169-R171 PolarHBondContact O-N 3.14Å
170	N	98.1	Very high	98.2	Very high	65 Å²	65	28.9 Å²	28.9	35%	0.348	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	15.7	173.7	-72.8	-78.4	0	0	0	113	L108 Y166 L167 H168 V172	L108-N170 HydrophobicContact CD2-CB 4.47Å; Y166-N170 VanDerWaalsContact CE2-ND2 3.33Å; Y166-N170 WeakPolarHBondContact CE2-ND2 3.45Å; Y166-N170 VanDerWaalsContact CZ-ND2 3.33Å; Y166-N170 PolarHBondContact O-N 3.04Å; Y166-N170 PolarHBondContact O-ND2 2.79Å; L167-N170 CarbonylContact O-C 3.57Å; L167-N170 WeakPolarHBondContact O-CA 3.29Å; L167-N170 PolarHBondContact O-N 2.81Å; H168-N170 PolarHBondContact O-N 2.91Å; N170-V172 PolarHBondContact O-N 2.9Å
171	R	97.8	Very high	98.1	Very high	117 Å²	117	29.3 Å²	29.3	44%	0.442	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	28	-179.1	-60.7	-175.6	174.1	178.5	-5.7	113.9	L167 H168 R169 K200 V201 D204	L167-R171 PolarHBondContact O-N 3.35Å; H168-R171 WeakPolarHBondContact O-CA 2.8Å; H168-R171 PolarHBondContact O-N 3.29Å; R169-R171 PolarHBondContact O-N 3.14Å; R171-K200 CarbonylContact O-C 3.36Å; R171-K200 VanDerWaalsContact O-CA 3.3Å; R171-K200 WeakPolarHBondContact O-CA 3.38Å; R171-V201 HydrophobicContact CB-CB 4.24Å; R171-V201 PolarHBondContact O-N 2.82Å; R171-D204 IonicContact CZ-OD1 3.9Å; R171-D204 IonicContact NH2-OD1 2.95Å; R171-D204 PolarHBondContact NH2-OD1 3.38Å
172	V	98.4	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.4	176.2	177.1	0	0	0	0	109.5	I104 L108 L167 H168 N170 A198 T199 K200	I104-V172 HydrophobicContact CG2-CG1 3.82Å; I104-V172 HydrophobicContact CG2-CG2 4.09Å; L108-V172 HydrophobicContact CD2-CG2 4.27Å; L167-V172 CarbonylContact C-O 3.53Å; L167-V172 HydrophobicContact CB-CB 4.26Å; L167-V172 HydrophobicContact CD2-CG1 4.42Å; L167-V172 PolarHBondContact O-N 2.8Å; H168-V172 PolarHBondContact CD2-O 2.76Å; N170-V172 PolarHBondContact O-N 2.9Å; V172-A198 HydrophobicContact CG1-CB 4.28Å; V172-T199 WeakPolarHBondContact CA-O 3.34Å; V172-K200 HydrophobicContact CG2-CG 4.1Å
173	I	98.1	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.3	168.2	-48.4	163.6	0	0	0	107.4	R175 A198 T199 V201 F230 V232 D233	I173-R175 HydrophobicContact CB-CG 4.09Å; I173-R175 HydrophobicContact CG2-CG 3.5Å; I173-R175 VanDerWaalsContact CG2-CG 3.5Å; I173-A198 CarbonylContact O-C 3.51Å; I173-A198 VanDerWaalsContact O-CA 3.24Å; I173-A198 WeakPolarHBondContact O-CA 3.47Å; I173-T199 HydrophobicContact CB-CG2 4.27Å; I173-T199 HydrophobicContact CD1-CG2 4.35Å; I173-T199 PolarHBondContact N-O 2.76Å; I173-T199 PolarHBondContact O-N 2.88Å; I173-V201 HydrophobicContact CD1-CG2 3.43Å; I173-V201 VanDerWaalsContact CD1-CG2 3.43Å; I173-V201 HydrophobicContact CG1-CG2 3.84Å; I173-F230 HydrophobicContact CD1-CD1 4.4Å; I173-F230 HydrophobicContact CG1-CD1 3.55Å; I173-F230 HydrophobicContact CG1-CE1 3.72Å; I173-F230 HydrophobicContact CG1-CG 4.2Å; I173-V232 HydrophobicContact CG2-CG2 3.6Å; I173-D233 WeakPolarHBondContact CG2-OD2 3.35Å
174	H	98.3	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	13%	0.132	C	C	.	.			trans	-77.6	-44.2	-176.8	-170.4	-55.4	0	0	0	112.4	L167 D176 L177 I192 G193 D194 L197 A198 D233	L167-H174 HydrophobicContact CD1-CB 4.16Å; H174-D176 PolarHBondContact ND1-N 3.44Å; H174-D176 PolarHBondContact O-N 2.62Å; H174-D176 VanDerWaalsContact O-N 3.12Å; H174-L177 HydrophobicContact CB-CD2 4.11Å; H174-L177 HydrophobicContact CB-CG 4.03Å; H174-I192 WeakPolarHBondContact CD2-CG2 3.35Å; H174-G193 PolarHBondContact NE2-O 2.79Å; H174-D194 PolarHBondContact CE1-O 3.27Å; H174-L197 CarbonylContact O-C 3.54Å; H174-A198 WeakPolarHBondContact O-CA 3.16Å; H174-A198 PolarHBondContact O-N 3.48Å; H174-D233 PolarHBondContact N-OD1 3.31Å; H174-D233 PolarHBondContact N-OD2 2.97Å
175	R	97.1	Very high	97.8	Very high	28 Å²	28	31.1 Å²	31.1	11%	0.106	14%	0.137	C	C	.	.	S	Bend	trans	63.6	7	177.3	-50.9	-170	-66.9	179.2	-3.9	116.8	I173 L197 G213 H228 V232 D233	I173-R175 HydrophobicContact CB-CG 4.09Å; I173-R175 HydrophobicContact CG2-CG 3.5Å; I173-R175 VanDerWaalsContact CG2-CG 3.5Å; R175-L197 PolarHBondContact NE-O 3.08Å; R175-L197 PolarHBondContact NH2-O 2.88Å; R175-G213 WeakPolarHBondContact O-CA 3.47Å; R175-H228 VanDerWaalsContact CD-NE2 3.28Å; R175-H228 WeakPolarHBondContact CD-NE2 3.41Å; R175-H228 PolarHBondContact NH1-NE2 3.33Å; R175-V232 HydrophobicContact CG-CG2 4.05Å; R175-D233 PolarHBondContact N-OD1 3.22Å
176	D	96.9	Very high	97.3	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.048	14%	0.143	C	C	.	.			trans	-151.6	37.8	177.5	-159.8	41	0	0	0	111.8	H174 K178 N181 L197 T214	H174-D176 PolarHBondContact ND1-N 3.44Å; H174-D176 PolarHBondContact O-N 2.62Å; H174-D176 VanDerWaalsContact O-N 3.12Å; D176-K178 PolarHBondContact O-N 2.89Å; D176-K178 IonicContact OD1-NZ 3.65Å; D176-K178 IonicContact OD2-NZ 2.65Å; D176-K178 PolarHBondContact OD2-NZ 2.85Å; D176-N181 PolarHBondContact O-ND2 3.3Å; D176-N181 PolarHBondContact OD2-ND2 3.21Å; D176-L197 HydrophobicContact CB-CB 4.18Å; D176-L197 HydrophobicContact CB-CD1 3.85Å; D176-L197 HydrophobicContact CB-CG 4.47Å; D176-T214 WeakPolarHBondContact OD1-CB 3.17Å; D176-T214 PolarHBondContact OD1-N 2.99Å; D176-T214 PolarHBondContact OD1-OG1 2.78Å
177	L	98.6	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.157	C	C	.	.			trans	-65.2	121.8	169.9	-67.9	178.9	0	0	0	108.9	H174 L182 I192 D233 S236 I237 I240	H174-L177 HydrophobicContact CB-CD2 4.11Å; H174-L177 HydrophobicContact CB-CG 4.03Å; L177-L182 HydrophobicContact CD2-CD2 4.4Å; L177-I192 HydrophobicContact CD2-CD1 4.49Å; L177-I192 HydrophobicContact CD2-CG2 3.8Å; L177-D233 HydrophobicContact CD1-CB 3.8Å; L177-S236 WeakPolarHBondContact O-CB 3.4Å; L177-I237 HydrophobicContact CD1-CD1 4.15Å; L177-I237 HydrophobicContact CD1-CG1 4Å; L177-I240 HydrophobicContact CB-CD1 4.15Å
178	K	97.4	Very high	96.7	Very high	42 Å²	42	34.7 Å²	34.7	18%	0.183	16%	0.157	C	C	.	.			trans	-158.3	163	179.4	68.1	-161.9	-174.5	-155.3	0	108.9	D176 G180 N181 L182 T214 Y217	D176-K178 PolarHBondContact O-N 2.89Å; D176-K178 IonicContact OD1-NZ 3.65Å; D176-K178 IonicContact OD2-NZ 2.65Å; D176-K178 PolarHBondContact OD2-NZ 2.85Å; K178-G180 PolarHBondContact O-N 2.9Å; K178-N181 VanDerWaalsContact CE-ND2 3.35Å; K178-N181 WeakPolarHBondContact CE-ND2 3.4Å; K178-N181 WeakPolarHBondContact CE-OD1 3.38Å; K178-N181 HydrophobicContact CG-CB 4.11Å; K178-N181 PolarHBondContact O-N 2.77Å; K178-L182 WeakPolarHBondContact O-CG 3.42Å; K178-L182 PolarHBondContact O-N 2.82Å; K178-T214 HydrophobicContact CD-CG2 4.15Å; K178-T214 WeakPolarHBondContact CD-OG1 2.98Å; K178-T214 PolarHBondContact NZ-OG1 3.45Å; K178-Y217 HydrophobicContact CB-CD2 3.64Å; K178-Y217 HydrophobicContact CB-CE2 3.72Å; K178-Y217 HydrophobicContact CB-CG 4.08Å
179	L	97.8	Very high	96.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-52.9	-34.7	-178.8	-61.2	-177.3	0	0	0	113.8	S137 L138 L139 H142 N181 L182 I240 T243 L244	S137-L179 WeakPolarHBondContact CB-O 3.42Å; S137-L179 PolarHBondContact OG-O 2.91Å; L138-L179 HydrophobicContact CB-CB 4.24Å; L138-L179 HydrophobicContact CB-CD2 3.93Å; L138-L179 HydrophobicContact CD1-CD2 4.49Å; L138-L179 PolarHBondContact N-O 3.24Å; L139-L179 HydrophobicContact CB-CB 4.04Å; L139-L179 HydrophobicContact CD1-CB 4.48Å; L139-L179 PolarHBondContact N-O 3.38Å; L139-L179 VanDerWaalsContact N-O 3.16Å; H142-L179 HydrophobicContact CB-CD1 3.74Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 3.28Å; L179-L182 PolarHBondContact O-N 2.67Å; L179-I240 HydrophobicContact CD2-CG1 4.44Å; L179-I240 HydrophobicContact CD2-CG2 3.91Å; L179-T243 HydrophobicContact CD1-CG2 3.72Å; L179-L244 HydrophobicContact CD2-CD2 3.84Å; L179-L244 HydrophobicContact CD2-CG 4.36Å
180	G	95.7	Very high	96.7	Very high	19 Å²	19	26.5 Å²	26.5	20%	0.196	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-74	-15.5	179.7	0	0	0	0	0	115.5	K178	K178-G180 PolarHBondContact O-N 2.9Å
181	N	97.6	Very high	96.7	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.048	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-105.7	5.4	179	-70.2	-3.1	0	0	0	112.1	D176 K178 L179 G193 D194	D176-N181 PolarHBondContact O-ND2 3.3Å; D176-N181 PolarHBondContact OD2-ND2 3.21Å; K178-N181 VanDerWaalsContact CE-ND2 3.35Å; K178-N181 WeakPolarHBondContact CE-ND2 3.4Å; K178-N181 WeakPolarHBondContact CE-OD1 3.38Å; K178-N181 HydrophobicContact CG-CB 4.11Å; K178-N181 PolarHBondContact O-N 2.77Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 3.28Å; N181-G193 PolarHBondContact O-N 2.7Å; N181-D194 HydrophobicContact CB-CB 4.47Å
182	L	98.6	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	88.9	178.1	-64.2	174.4	0	0	0	108.1	S137 L138 I160 L177 K178 L179 V190 I192 I240	S137-L182 CarbonylContact C-O 3.57Å; S137-L182 WeakPolarHBondContact CA-O 3.29Å; S137-L182 WeakPolarHBondContact CB-O 3.46Å; L138-L182 HydrophobicContact CB-CB 4.38Å; L138-L182 HydrophobicContact CD1-CB 3.77Å; L138-L182 HydrophobicContact CD1-CD1 3.85Å; L138-L182 HydrophobicContact CD1-CG 4.47Å; L138-L182 HydrophobicContact CG-CB 4.12Å; L138-L182 PolarHBondContact N-O 2.93Å; I160-L182 HydrophobicContact CD1-CD1 3.61Å; I160-L182 HydrophobicContact CG1-CD1 3.92Å; I160-L182 HydrophobicContact CG1-CD2 4.09Å; I160-L182 HydrophobicContact CG2-CD2 4.38Å; L177-L182 HydrophobicContact CD2-CD2 4.4Å; K178-L182 WeakPolarHBondContact O-CG 3.42Å; K178-L182 PolarHBondContact O-N 2.82Å; L179-L182 PolarHBondContact O-N 2.67Å; L182-V190 HydrophobicContact CB-CG1 4.22Å; L182-V190 HydrophobicContact CD2-CG1 4.11Å; L182-I192 HydrophobicContact CD2-CB 4.49Å; L182-I192 HydrophobicContact CD2-CG1 3.75Å; L182-I240 HydrophobicContact CD1-CD1 3.76Å; L182-I240 HydrophobicContact CD1-CG1 4.45Å; L182-I240 HydrophobicContact CD1-CG2 4.35Å
183	F	98.2	Very high	96.7	Very high	62 Å²	62	18.9 Å²	18.9	27%	0.272	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	158.8	-174	-60.1	-85.8	0	0	0	112	V114 C133 R136 V190 K191	V114-F183 HydrophobicContact CG2-CD2 3.81Å; V114-F183 HydrophobicContact CG2-CG 4.47Å; C133-F183 HydrophobicContact CB-CB 3.55Å; C133-F183 HydrophobicContact CB-CD1 4.49Å; C133-F183 HydrophobicContact CB-CG 4.34Å; C133-F183 VanDerWaalsContact SG-CB 3.56Å; R136-F183 CarbonylContact O-C 3.57Å; R136-F183 WeakPolarHBondContact O-CA 3.46Å; R136-F183 WeakPolarHBondContact O-CB 3.41Å; F183-V190 CarbonylContact O-C 3.57Å; F183-V190 VanDerWaalsContact O-CA 3.32Å; F183-V190 WeakPolarHBondContact O-CA 3.43Å; F183-K191 HydrophobicContact CB-CB 4.25Å; F183-K191 PolarHBondContact N-O 3.09Å; F183-K191 PolarHBondContact O-N 3.28Å
184	L	97.9	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.2	179.6	-63.1	178.1	0	0	0	110	C133 R135 R136 L138 Y156 L188 E189 V190 L319	C133-L184 CarbonylContact C-O 3.6Å; C133-L184 VanDerWaalsContact C-O 3.29Å; C133-L184 WeakPolarHBondContact CB-O 3.46Å; R135-L184 CarbonylContact C-O 3.48Å; R135-L184 WeakPolarHBondContact CA-O 3.49Å; R135-L184 HydrophobicContact CB-CB 3.74Å; R135-L184 WeakPolarHBondContact CB-O 3.47Å; R135-L184 PolarHBondContact N-O 3.27Å; R136-L184 PolarHBondContact O-N 3.11Å; L138-L184 HydrophobicContact CD2-CD1 4.09Å; L138-L184 HydrophobicContact CD2-CD2 4.05Å; L138-L184 HydrophobicContact CD2-CG 4.35Å; L138-L184 HydrophobicContact CG-CD2 4.43Å; Y156-L184 HydrophobicContact CD1-CD2 4.18Å; Y156-L184 HydrophobicContact CE1-CD2 3.74Å; L184-L188 HydrophobicContact CD1-CD2 4.41Å; L184-E189 WeakPolarHBondContact CA-O 3.39Å; L184-V190 HydrophobicContact CD2-CG2 4.08Å; L184-L319 HydrophobicContact CD1-CD2 4.29Å
185	N	93.4	Very high	96.4	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.091	11%	0.108	C	C	.	.			trans	-79.7	-173	170.5	73.9	2.1	0	0	0	111.4	R135 D187 L188 E189	R135-N185 WeakPolarHBondContact CB-O 3.33Å; R135-N185 WeakPolarHBondContact CG-O 3.39Å; N185-D187 PolarHBondContact O-N 2.91Å; N185-D187 PolarHBondContact OD1-N 3.2Å; N185-D187 VanDerWaalsContact OD1-N 3.11Å; N185-L188 PolarHBondContact O-N 3.33Å; N185-L188 VanDerWaalsContact O-N 3.17Å; N185-L188 PolarHBondContact OD1-N 3.17Å; N185-E189 PolarHBondContact N-O 2.91Å; N185-E189 PolarHBondContact ND2-OE2 3.02Å; N185-E189 WeakPolarHBondContact OD1-CB 3.33Å; N185-E189 PolarHBondContact OD1-N 3.21Å
186	E	88.5	Confident	96.1	Very high	68 Å²	68	21.4 Å²	21.4	32%	0.318	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31	-177.9	-77.6	-65.3	159	0	0	114.2	R134 R135 L188	R134-E186 HydrophobicContact CB-CG 4.14Å; R134-E186 WeakPolarHBondContact CB-OE1 3.32Å; R134-E186 WeakPolarHBondContact CD-OE1 3.38Å; R134-E186 HydrophobicContact CG-CG 4.36Å; R134-E186 WeakPolarHBondContact CG-OE1 3.47Å; R135-E186 IonicContact CZ-OE2 3.93Å; R135-E186 IonicContact NE-OE1 3.65Å; R135-E186 IonicContact NE-OE2 2.91Å; R135-E186 PolarHBondContact NE-OE2 2.98Å; R135-E186 IonicContact NH2-OE1 2.74Å; R135-E186 IonicContact NH2-OE2 3.79Å; R135-E186 PolarHBondContact NH2-OE2 3.32Å; E186-L188 VanDerWaalsContact C-N 3.33Å
187	D	90.2	Very high	95.9	Very high	74 Å²	74	23.4 Å²	23.4	40%	0.396	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	15.6	-178.2	-58.2	-59.3	0	0	0	112.5	N185 E189 R500	N185-D187 PolarHBondContact O-N 2.91Å; N185-D187 PolarHBondContact OD1-N 3.2Å; N185-D187 VanDerWaalsContact OD1-N 3.11Å; D187-E189 HydrophobicContact CB-CG 4.34Å; D187-E189 PolarHBondContact O-N 3.29Å; D187-R500 IonicContact OD1-NH1 2.61Å; D187-R500 PolarHBondContact OD1-NH1 3.2Å
188	L	95.1	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.			trans	59.6	26.1	-177.5	-52.2	-176.3	0	0	0	113.6	R135 Y155 L184 N185 E186 L314 P315 C318 L319	R135-L188 HydrophobicContact CB-CD2 4.11Å; R135-L188 HydrophobicContact CG-CD2 4.01Å; Y155-L188 WeakPolarHBondContact CE1-O 3.09Å; Y155-L188 PolarHBondContact OH-O 2.86Å; L184-L188 HydrophobicContact CD1-CD2 4.41Å; N185-L188 PolarHBondContact O-N 3.33Å; N185-L188 VanDerWaalsContact O-N 3.17Å; N185-L188 PolarHBondContact OD1-N 3.17Å; E186-L188 VanDerWaalsContact C-N 3.33Å; L188-L314 HydrophobicContact CD1-CB 3.91Å; L188-P315 WeakPolarHBondContact CD1-O 3.37Å; L188-C318 HydrophobicContact CD1-CB 4.18Å; L188-L319 HydrophobicContact CD1-CG 4.49Å; L188-L319 HydrophobicContact CD2-CD1 4Å; L188-L319 HydrophobicContact CD2-CD2 3.63Å; L188-L319 HydrophobicContact CD2-CG 3.84Å
189	E	97.8	Very high	95.8	Very high	46 Å²	46	22.7 Å²	22.7	22%	0.215	13%	0.126	C	C	.	.			trans	-78.5	140	171.7	-55.2	-179.7	116.2	0	0	110.6	Q111 L184 N185 D187	Q111-E189 PolarHBondContact NE2-OE1 2.87Å; L184-E189 WeakPolarHBondContact CA-O 3.39Å; N185-E189 PolarHBondContact N-O 2.91Å; N185-E189 PolarHBondContact ND2-OE2 3.02Å; N185-E189 WeakPolarHBondContact OD1-CB 3.33Å; N185-E189 PolarHBondContact OD1-N 3.21Å; D187-E189 HydrophobicContact CB-CG 4.34Å; D187-E189 PolarHBondContact O-N 3.29Å
190	V	98.8	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.8	-179.7	-179.1	0	0	0	0	110.6	H112 Y156 Q159 I160 L182 F183 L184	H112-V190 WeakPolarHBondContact CA-O 3.46Å; H112-V190 WeakPolarHBondContact CB-O 3.46Å; H112-V190 PolarHBondContact ND1-O 3.18Å; H112-V190 VanDerWaalsContact ND1-O 3.09Å; Y156-V190 HydrophobicContact CD1-CG2 3.7Å; Y156-V190 HydrophobicContact CG-CG2 4.5Å; Q159-V190 HydrophobicContact CB-CB 3.88Å; Q159-V190 HydrophobicContact CB-CG2 4.02Å; I160-V190 HydrophobicContact CG1-CG1 3.88Å; I160-V190 HydrophobicContact CG1-CG2 4.4Å; L182-V190 HydrophobicContact CB-CG1 4.22Å; L182-V190 HydrophobicContact CD2-CG1 4.11Å; F183-V190 CarbonylContact O-C 3.57Å; F183-V190 VanDerWaalsContact O-CA 3.32Å; F183-V190 WeakPolarHBondContact O-CA 3.43Å; L184-V190 HydrophobicContact CD2-CG2 4.08Å
191	K	98.8	Very high	95.6	Very high	20 Å²	20	25.4 Å²	25.4	9%	0.087	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	111.3	172.3	-58.6	-71.6	-179.4	154.1	0	109.6	Q111 V114 E131 F183 G193	Q111-K191 WeakPolarHBondContact O-CD 3.33Å; Q111-K191 WeakPolarHBondContact O-CE 3.41Å; Q111-K191 PolarHBondContact O-NZ 3.26Å; V114-K191 HydrophobicContact CG2-CB 3.65Å; E131-K191 WeakPolarHBondContact OE1-CE 3.41Å; E131-K191 IonicContact OE1-NZ 2.66Å; E131-K191 PolarHBondContact OE1-NZ 3.47Å; E131-K191 WeakPolarHBondContact OE2-CD 3.48Å; E131-K191 IonicContact OE2-NZ 2.98Å; E131-K191 PolarHBondContact OE2-NZ 2.74Å; F183-K191 HydrophobicContact CB-CB 4.25Å; F183-K191 PolarHBondContact N-O 3.09Å; F183-K191 PolarHBondContact O-N 3.28Å; K191-G193 PolarHBondContact O-N 3.44Å
192	I	98.8	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.2	174.8	-60.1	172	0	0	0	109	H112 V114 L167 H174 L177 L182 F195	H112-I192 WeakPolarHBondContact O-CG1 3.42Å; H112-I192 PolarHBondContact O-N 2.84Å; V114-I192 WeakPolarHBondContact CG2-O 3.39Å; V114-I192 PolarHBondContact N-O 3.42Å; L167-I192 HydrophobicContact CD1-CD1 4.47Å; L167-I192 HydrophobicContact CD1-CG2 4.29Å; H174-I192 WeakPolarHBondContact CD2-CG2 3.35Å; L177-I192 HydrophobicContact CD2-CD1 4.49Å; L177-I192 HydrophobicContact CD2-CG2 3.8Å; L182-I192 HydrophobicContact CD2-CB 4.49Å; L182-I192 HydrophobicContact CD2-CG1 3.75Å; I192-F195 HydrophobicContact CG2-CZ 4.38Å
193	G	96.8	Very high	95.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	19%	0.185	C	C	.	.			trans	-137.4	-175.9	179.3	0	0	0	0	0	113.3	H174 N181 K191	H174-G193 PolarHBondContact NE2-O 2.79Å; N181-G193 PolarHBondContact O-N 2.7Å; K191-G193 PolarHBondContact O-N 3.44Å
194	D	93.6	Very high	94.7	Very high	56 Å²	56	41 Å²	41	30%	0.299	21%	0.205	S	C	.	.			trans	59.5	76.1	-175	-164.6	10.3	0	0	0	114.3	K82 H174 N181 G196	K82-D194 IonicContact NZ-OD1 3.53Å; H174-D194 PolarHBondContact CE1-O 3.27Å; N181-D194 HydrophobicContact CB-CB 4.47Å; D194-G196 PolarHBondContact O-N 2.6Å; D194-G196 PolarHBondContact OD1-N 2.88Å
195	F	96.1	Very high	94.3	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-83.2	15.4	178	-67.7	-90.8	0	0	0	113.4	E101 I104 H105 L108 V113 L167 I192 L197 A198	E101-F195 HydrophobicContact CG-CB 4.26Å; I104-F195 HydrophobicContact CG2-CD1 3.98Å; H105-F195 HydrophobicContact CB-CB 4.34Å; H105-F195 HydrophobicContact CB-CD2 3.97Å; H105-F195 HydrophobicContact CB-CG 4.26Å; H105-F195 AromaticContact CD2-CD2 3.7Å; H105-F195 AromaticContact CD2-CE2 3.62Å; H105-F195 AromaticContact CE1-CD2 3.73Å; H105-F195 AromaticContact CE1-CE2 3.86Å; H105-F195 AromaticContact CG-CD2 3.45Å; H105-F195 VanDerWaalsContact CG-CD2 3.45Å; H105-F195 AromaticContact CG-CE2 3.89Å; H105-F195 AromaticContact ND1-CD2 3.47Å; H105-F195 WeakPolarHBondContact ND1-CD2 3.32Å; H105-F195 AromaticContact NE2-CD2 3.87Å; H105-F195 AromaticContact NE2-CE2 3.61Å; L108-F195 HydrophobicContact CD1-CD1 3.92Å; L108-F195 HydrophobicContact CD1-CE1 3.33Å; L108-F195 HydrophobicContact CD1-CE2 4.25Å; L108-F195 HydrophobicContact CD1-CZ 3.54Å; V113-F195 HydrophobicContact CG1-CE2 3.97Å; V113-F195 HydrophobicContact CG1-CZ 3.71Å; L167-F195 HydrophobicContact CD1-CE1 4.08Å; L167-F195 HydrophobicContact CD2-CE1 3.74Å; L167-F195 HydrophobicContact CD2-CZ 4.09Å; I192-F195 HydrophobicContact CG2-CZ 4.38Å; F195-L197 PolarHBondContact O-N 2.74Å; F195-L197 VanDerWaalsContact O-N 3.13Å; F195-A198 HydrophobicContact CB-CB 3.95Å; F195-A198 HydrophobicContact CD1-CB 3.82Å; F195-A198 HydrophobicContact CG-CB 4.39Å; F195-A198 WeakPolarHBondContact O-CB 3.18Å; F195-A198 PolarHBondContact O-N 3.45Å
196	G	92.3	Very high	94.3	Very high	25 Å²	25	44.7 Å²	44.7	26%	0.258	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.7	-19.5	-175.5	0	0	0	0	0	114.9	E101 D194	E101-G196 WeakPolarHBondContact OE2-CA 3.48Å; D194-G196 PolarHBondContact O-N 2.6Å; D194-G196 PolarHBondContact OD1-N 2.88Å
197	L	93.3	Very high	94.6	Very high	51 Å²	51	46.1 Å²	46.1	27%	0.267	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-110.5	1.8	172.6	-63.4	-176.7	0	0	0	113.3	H174 R175 D176 F195 C212	H174-L197 CarbonylContact O-C 3.54Å; R175-L197 PolarHBondContact NE-O 3.08Å; R175-L197 PolarHBondContact NH2-O 2.88Å; D176-L197 HydrophobicContact CB-CB 4.18Å; D176-L197 HydrophobicContact CB-CD1 3.85Å; D176-L197 HydrophobicContact CB-CG 4.47Å; F195-L197 PolarHBondContact O-N 2.74Å; F195-L197 VanDerWaalsContact O-N 3.13Å; L197-C212 HydrophobicContact CD1-CB 4.21Å; L197-C212 HydrophobicContact CD2-CB 4.2Å
198	A	96.4	Very high	94.7	Very high	7 Å²	7	43.8 Å²	43.8	6%	0.058	23%	0.229	C	C	.	.			trans	-67.9	160.3	-179.2	0	0	0	0	0	111.9	I104 V172 I173 H174 F195	I104-A198 HydrophobicContact CD1-CB 3.99Å; I104-A198 HydrophobicContact CG2-CB 4.26Å; V172-A198 HydrophobicContact CG1-CB 4.28Å; I173-A198 CarbonylContact O-C 3.51Å; I173-A198 VanDerWaalsContact O-CA 3.24Å; I173-A198 WeakPolarHBondContact O-CA 3.47Å; H174-A198 WeakPolarHBondContact O-CA 3.16Å; H174-A198 PolarHBondContact O-N 3.48Å; F195-A198 HydrophobicContact CB-CB 3.95Å; F195-A198 HydrophobicContact CD1-CB 3.82Å; F195-A198 HydrophobicContact CG-CB 4.39Å; F195-A198 WeakPolarHBondContact O-CB 3.18Å; F195-A198 PolarHBondContact O-N 3.45Å
199	T	95.9	Very high	94.4	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.9	176	-168.7	0	0	0	0	110.6	V172 I173 K208	V172-T199 WeakPolarHBondContact CA-O 3.34Å; I173-T199 HydrophobicContact CB-CG2 4.27Å; I173-T199 HydrophobicContact CD1-CG2 4.35Å; I173-T199 PolarHBondContact N-O 2.76Å; I173-T199 PolarHBondContact O-N 2.88Å; T199-K208 HydrophobicContact CG2-CD 4.23Å; T199-K208 HydrophobicContact CG2-CG 3.99Å; T199-K208 WeakPolarHBondContact OG1-CE 3.45Å
200	K	95.1	Very high	94	Very high	71 Å²	71	53.5 Å²	53.5	31%	0.309	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	141.5	170.3	-78.9	-172.7	174.1	-177	0	110.9	I104 R171 V172 K208	I104-K200 HydrophobicContact CG1-CG 4.4Å; R171-K200 CarbonylContact O-C 3.36Å; R171-K200 VanDerWaalsContact O-CA 3.3Å; R171-K200 WeakPolarHBondContact O-CA 3.38Å; V172-K200 HydrophobicContact CG2-CG 4.1Å; K200-K208 WeakPolarHBondContact O-CE 3.23Å; K200-K208 PolarHBondContact O-NZ 3.18Å
201	V	94.8	Very high	93.6	Very high	7 Å²	7	58 Å²	58	4%	0.042	30%	0.301	C	S	.	.			trans	-84.8	113.3	167.2	174	0	0	0	0	107.3	R171 I173 Y203 E206 F230	R171-V201 HydrophobicContact CB-CB 4.24Å; R171-V201 PolarHBondContact O-N 2.82Å; I173-V201 HydrophobicContact CD1-CG2 3.43Å; I173-V201 VanDerWaalsContact CD1-CG2 3.43Å; I173-V201 HydrophobicContact CG1-CG2 3.84Å; V201-Y203 WeakPolarHBondContact CG1-O 3.4Å; V201-E206 WeakPolarHBondContact CA-OE2 3.38Å; V201-E206 HydrophobicContact CG1-CB 4.12Å; V201-F230 HydrophobicContact CB-CE2 4.4Å; V201-F230 HydrophobicContact CB-CZ 3.88Å; V201-F230 HydrophobicContact CG1-CE2 4.36Å; V201-F230 HydrophobicContact CG1-CZ 4.28Å; V201-F230 HydrophobicContact CG2-CE1 3.99Å; V201-F230 HydrophobicContact CG2-CE2 3.93Å; V201-F230 HydrophobicContact CG2-CZ 3.49Å; V201-F230 VanDerWaalsContact CG2-CZ 3.49Å
202	E	92.9	Very high	93.1	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	30%	0.303	S	S	*	.			trans	-81.4	-33.5	-172.8	-60.9	-59.5	148.9	0	0	111.6	E206	E202-E206 PolarHBondContact N-OE2 2.71Å
203	Y	92.6	Very high	92.6	Very high	144 Å²	144	59 Å²	59	57%	0.565	31%	0.314	S	S	*	.	S	Bend	trans	-143.1	154.7	178.8	59.7	-90.2	0	0	0	111.4	V201 G205 E206	V201-Y203 WeakPolarHBondContact CG1-O 3.4Å; Y203-G205 PolarHBondContact O-N 2.98Å; Y203-E206 HydrophobicContact CD1-CB 4.31Å; Y203-E206 HydrophobicContact CD1-CG 4.44Å; Y203-E206 HydrophobicContact CD2-CB 4.04Å; Y203-E206 HydrophobicContact CE1-CB 4.05Å; Y203-E206 HydrophobicContact CE1-CG 3.81Å; Y203-E206 HydrophobicContact CE2-CB 3.78Å; Y203-E206 HydrophobicContact CE2-CG 4.21Å; Y203-E206 HydrophobicContact CG-CB 4.3Å; Y203-E206 VanDerWaalsContact O-CB 3.31Å; Y203-E206 WeakPolarHBondContact O-CB 3.44Å; Y203-E206 PolarHBondContact O-N 3.33Å; Y203-E206 VanDerWaalsContact O-N 3.16Å
204	D	90.1	Very high	92.2	Very high	129 Å²	129	60.8 Å²	60.8	69%	0.69	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	133.9	-177.6	-71.1	-5.5	0	0	0	110.9	R171 E206	R171-D204 IonicContact CZ-OD1 3.9Å; R171-D204 IonicContact NH2-OD1 2.95Å; R171-D204 PolarHBondContact NH2-OD1 3.38Å; D204-E206 VanDerWaalsContact C-N 3.34Å
205	G	90.1	Very high	91.8	Very high	69 Å²	69	59.9 Å²	59.9	71%	0.711	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	2.3	-176	0	0	0	0	0	115.2	Y203 R207	Y203-G205 PolarHBondContact O-N 2.98Å; G205-R207 PolarHBondContact O-N 2.96Å
206	E	93.4	Very high	91.5	Very high	27 Å²	27	61.7 Å²	61.7	13%	0.126	33%	0.332	C	S	.	.			trans	-57.1	132.7	175.8	-171	-175	-173.4	0	0	111.9	V201 E202 Y203 D204 K208	V201-E206 WeakPolarHBondContact CA-OE2 3.38Å; V201-E206 HydrophobicContact CG1-CB 4.12Å; E202-E206 PolarHBondContact N-OE2 2.71Å; Y203-E206 HydrophobicContact CD1-CB 4.31Å; Y203-E206 HydrophobicContact CD1-CG 4.44Å; Y203-E206 HydrophobicContact CD2-CB 4.04Å; Y203-E206 HydrophobicContact CE1-CB 4.05Å; Y203-E206 HydrophobicContact CE1-CG 3.81Å; Y203-E206 HydrophobicContact CE2-CB 3.78Å; Y203-E206 HydrophobicContact CE2-CG 4.21Å; Y203-E206 HydrophobicContact CG-CB 4.3Å; Y203-E206 VanDerWaalsContact O-CB 3.31Å; Y203-E206 WeakPolarHBondContact O-CB 3.44Å; Y203-E206 PolarHBondContact O-N 3.33Å; Y203-E206 VanDerWaalsContact O-N 3.16Å; D204-E206 VanDerWaalsContact C-N 3.34Å; E206-K208 WeakPolarHBondContact OE1-CE 3.43Å; E206-K208 IonicContact OE1-NZ 2.92Å; E206-K208 PolarHBondContact OE1-NZ 3.46Å; E206-K208 WeakPolarHBondContact OE2-CE 3.37Å; E206-K208 IonicContact OE2-NZ 3.44Å; E206-K208 PolarHBondContact OE2-NZ 3.49Å
207	R	93.9	Very high	91.6	Very high	98 Å²	98	61.4 Å²	61.4	37%	0.37	32%	0.323	S	S	.	.			trans	-114.7	112.3	175.9	-57.5	-64.5	-68	176.6	1.4	110	G205 G227 E231	G205-R207 PolarHBondContact O-N 2.96Å; R207-G227 PolarHBondContact NH2-O 3.24Å; R207-E231 IonicContact CZ-OE1 3.12Å; R207-E231 IonicContact NH1-OE1 2.79Å; R207-E231 PolarHBondContact NH1-OE1 3.27Å; R207-E231 IonicContact NH1-OE2 2.65Å; R207-E231 IonicContact NH2-OE1 3.68Å; R207-E231 PolarHBondContact NH2-OE1 3.43Å
208	K	91.8	Very high	91.7	Very high	25 Å²	25	59.3 Å²	59.3	11%	0.109	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-74.3	137.9	176.3	-57.7	-65.3	-173.2	-175.1	0	109.8	T199 K200 E206 G227 H228	T199-K208 HydrophobicContact CG2-CD 4.23Å; T199-K208 HydrophobicContact CG2-CG 3.99Å; T199-K208 WeakPolarHBondContact OG1-CE 3.45Å; K200-K208 WeakPolarHBondContact O-CE 3.23Å; K200-K208 PolarHBondContact O-NZ 3.18Å; E206-K208 WeakPolarHBondContact OE1-CE 3.43Å; E206-K208 IonicContact OE1-NZ 2.92Å; E206-K208 PolarHBondContact OE1-NZ 3.46Å; E206-K208 WeakPolarHBondContact OE2-CE 3.37Å; E206-K208 IonicContact OE2-NZ 3.44Å; E206-K208 PolarHBondContact OE2-NZ 3.49Å; K208-G227 CarbonylContact O-C 3.36Å; K208-G227 WeakPolarHBondContact O-CA 3.26Å; K208-H228 PolarHBondContact N-O 3.45Å; K208-H228 PolarHBondContact O-CE1 2.9Å; K208-H228 PolarHBondContact O-N 3.47Å; K208-H228 PolarHBondContact O-ND1 2.97Å
209	K	90.1	Very high	91.7	Very high	168 Å²	168	59 Å²	59	73%	0.73	31%	0.31	S	S	*	.			trans	-104.8	-2.1	-177	-64.2	-176.9	-179.5	177.8	0	114.4
210	T	88.7	Confident	91.7	Very high	82 Å²	82	58.3 Å²	58.3	50%	0.503	31%	0.306	S	S	.	.			trans	-69.8	131.4	-176.4	-38.1	0	0	0	0	111.6	C212 H228	T210-C212 PolarHBondContact O-N 3.47Å; T210-H228 PolarHBondContact O-CE1 3.04Å
211	L	89.9	Confident	91.7	Very high	94 Å²	94	55.3 Å²	55.3	49%	0.492	29%	0.293	S	S	.	.			trans	-80.3	110.7	169.8	-178.7	74	0	0	0	108.9	I218 V222 L223	L211-I218 HydrophobicContact CD1-CD1 4.28Å; L211-V222 HydrophobicContact CD1-CG1 4.21Å; L211-V222 VanDerWaalsContact CD1-O 3.23Å; L211-V222 WeakPolarHBondContact CD1-O 3.44Å; L211-L223 HydrophobicContact CD1-CD2 4.35Å
212	C	89.5	Confident	91.8	Very high	18 Å²	18	55.3 Å²	55.3	12%	0.122	29%	0.293	C	S	.	.			trans	-150.7	168.6	179.1	61.1	0	0	0	0	111.6	L197 T210 I218 V222	L197-C212 HydrophobicContact CD1-CB 4.21Å; L197-C212 HydrophobicContact CD2-CB 4.2Å; T210-C212 PolarHBondContact O-N 3.47Å; C212-I218 WeakPolarHBondContact O-CD1 3.46Å; C212-V222 WeakPolarHBondContact O-CG1 3.4Å
213	G	87.1	Confident	91.7	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	27%	0.269	C	S	.	.	S	Bend	trans	109.3	163.8	179.8	0	0	0	0	0	113	R175	R175-G213 WeakPolarHBondContact O-CA 3.47Å
214	T	88.4	Confident	91.6	Very high	38 Å²	38	45.7 Å²	45.7	23%	0.233	26%	0.259	C	S	.	.			trans	-83.1	137.5	-179.1	-60.7	0	0	0	0	111.3	D176 K178 N216 Y217 I218	D176-T214 WeakPolarHBondContact OD1-CB 3.17Å; D176-T214 PolarHBondContact OD1-N 2.99Å; D176-T214 PolarHBondContact OD1-OG1 2.78Å; K178-T214 HydrophobicContact CD-CG2 4.15Å; K178-T214 WeakPolarHBondContact CD-OG1 2.98Å; K178-T214 PolarHBondContact NZ-OG1 3.45Å; T214-N216 VanDerWaalsContact C-N 3.35Å; T214-N216 PolarHBondContact O-N 2.85Å; T214-N216 VanDerWaalsContact O-N 3.11Å; T214-Y217 HydrophobicContact CG2-CD2 4.15Å; T214-Y217 CarbonylContact O-C 3.49Å; T214-Y217 PolarHBondContact O-N 2.85Å; T214-I218 PolarHBondContact O-N 3.05Å
215	P	85.8	Confident	91.5	Very high	38 Å²	38	46.4 Å²	46.4	25%	0.247	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.4	-170.5	-33.6	37.6	0	0	0	118	Y217 I218 L256 Y260 I263	P215-Y217 PolarHBondContact O-N 3.47Å; P215-I218 WeakPolarHBondContact O-CG2 3.45Å; P215-L256 HydrophobicContact CB-CD1 3.27Å; P215-L256 HydrophobicContact CG-CD1 3.35Å; P215-Y260 HydrophobicContact CB-CE1 3.83Å; P215-Y260 HydrophobicContact CG-CE1 4.27Å; P215-I263 VanDerWaalsContact O-CD1 3.26Å; P215-I263 WeakPolarHBondContact O-CD1 3.42Å
216	N	89.4	Confident	91.3	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.203	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.5	-178.8	-76.3	-36.2	0	0	0	113.9	T214 P249	T214-N216 VanDerWaalsContact C-N 3.35Å; T214-N216 PolarHBondContact O-N 2.85Å; T214-N216 VanDerWaalsContact O-N 3.11Å; N216-P249 HydrophobicContact CB-CB 4.1Å; N216-P249 HydrophobicContact CB-CG 4.5Å
217	Y	94	Very high	91.1	Very high	19 Å²	19	50.2 Å²	50.2	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	0.2	-173	-53.9	-85.5	0	0	0	112.9	K178 T214 P215 S236 C239 I240	K178-Y217 HydrophobicContact CB-CD2 3.64Å; K178-Y217 HydrophobicContact CB-CE2 3.72Å; K178-Y217 HydrophobicContact CB-CG 4.08Å; T214-Y217 HydrophobicContact CG2-CD2 4.15Å; T214-Y217 CarbonylContact O-C 3.49Å; T214-Y217 PolarHBondContact O-N 2.85Å; P215-Y217 PolarHBondContact O-N 3.47Å; Y217-S236 PolarHBondContact O-OG 3.44Å; Y217-C239 HydrophobicContact CD1-CB 3.5Å; Y217-C239 VanDerWaalsContact CD1-CB 3.5Å; Y217-C239 HydrophobicContact CE1-CB 4.05Å; Y217-C239 HydrophobicContact CG-CB 4.44Å; Y217-I240 HydrophobicContact CD1-CG1 4.18Å; Y217-I240 HydrophobicContact CE1-CG1 3.98Å
218	I	95.2	Very high	91.2	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.036	24%	0.235	C	C	.	.			trans	-74.6	134.1	-178.4	-167.5	167	0	0	0	110.6	L211 C212 T214 P215 V222 L223 W235 Y260 I263	L211-I218 HydrophobicContact CD1-CD1 4.28Å; C212-I218 WeakPolarHBondContact O-CD1 3.46Å; T214-I218 PolarHBondContact O-N 3.05Å; P215-I218 WeakPolarHBondContact O-CG2 3.45Å; I218-V222 HydrophobicContact CD1-CB 4.31Å; I218-V222 HydrophobicContact CD1-CG1 3.94Å; I218-V222 HydrophobicContact CG1-CB 3.93Å; I218-V222 HydrophobicContact CG1-CG1 4.01Å; I218-L223 HydrophobicContact CD1-CD2 3.79Å; I218-L223 HydrophobicContact CD1-CG 4.29Å; I218-L223 HydrophobicContact CG1-CD2 4.34Å; I218-L223 HydrophobicContact CG1-CG 4.34Å; I218-L223 HydrophobicContact CG2-CD1 4.09Å; I218-L223 HydrophobicContact CG2-CD2 3.95Å; I218-L223 HydrophobicContact CG2-CG 4Å; I218-W235 PolarHBondContact O-NE1 2.97Å; I218-W235 VanDerWaalsContact O-NE1 3.09Å; I218-Y260 HydrophobicContact CG2-CD1 4.44Å; I218-Y260 HydrophobicContact CG2-CE1 4.15Å; I218-I263 HydrophobicContact CG2-CD1 3.87Å
219	A	96.6	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.233	C	C	.	.			trans	-77.9	150.2	-178.7	0	0	0	0	0	112.3	E221 V222 L223 V232 W235	A219-E221 VanDerWaalsContact C-N 3.31Å; A219-E221 VanDerWaalsContact CB-CD 3.47Å; A219-E221 HydrophobicContact CB-CG 4.45Å; A219-E221 VanDerWaalsContact CB-OE1 3.31Å; A219-E221 WeakPolarHBondContact CB-OE1 3.23Å; A219-E221 WeakPolarHBondContact CB-OE2 3.35Å; A219-E221 PolarHBondContact O-N 2.95Å; A219-V222 HydrophobicContact CB-CG2 4.14Å; A219-V222 WeakPolarHBondContact O-CB 3.48Å; A219-V222 PolarHBondContact O-N 2.91Å; A219-V222 VanDerWaalsContact O-N 3.09Å; A219-L223 PolarHBondContact O-N 3.27Å; A219-V232 HydrophobicContact CB-CB 4.22Å; A219-V232 HydrophobicContact CB-CG1 4.04Å; A219-W235 HydrophobicContact CB-CB 3.95Å; A219-W235 HydrophobicContact CB-CD2 4.23Å; A219-W235 HydrophobicContact CB-CG 3.72Å
220	P	96.5	Very high	91.8	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-33	-175.4	22.2	-32.3	0	0	0	113.9	V222 L223 S224 W235 I263 T288	P220-V222 VanDerWaalsContact C-N 3.29Å; P220-V222 PolarHBondContact O-N 2.8Å; P220-L223 PolarHBondContact O-N 3.21Å; P220-S224 WeakPolarHBondContact O-CB 3.43Å; P220-S224 PolarHBondContact O-N 3.5Å; P220-S224 PolarHBondContact O-OG 2.64Å; P220-W235 HydrophobicContact CG-CE3 4.34Å; P220-W235 HydrophobicContact CG-CH2 4.07Å; P220-W235 HydrophobicContact CG-CZ3 3.96Å; P220-I263 HydrophobicContact CB-CG2 4.08Å; P220-T288 HydrophobicContact CB-CG2 4.29Å; P220-T288 HydrophobicContact CG-CG2 4.21Å
221	E	96.1	Very high	92.2	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-29.9	176	64.5	-84.4	-161.6	0	0	112.9	A219 S224 K225 K226 H228 V232 P290 R293	A219-E221 VanDerWaalsContact C-N 3.31Å; A219-E221 VanDerWaalsContact CB-CD 3.47Å; A219-E221 HydrophobicContact CB-CG 4.45Å; A219-E221 VanDerWaalsContact CB-OE1 3.31Å; A219-E221 WeakPolarHBondContact CB-OE1 3.23Å; A219-E221 WeakPolarHBondContact CB-OE2 3.35Å; A219-E221 PolarHBondContact O-N 2.95Å; E221-S224 VanDerWaalsContact CA-OG 3.31Å; E221-S224 WeakPolarHBondContact CA-OG 3.2Å; E221-S224 PolarHBondContact O-OG 3.45Å; E221-K225 PolarHBondContact O-N 2.76Å; E221-K226 PolarHBondContact O-N 2.77Å; E221-H228 HydrophobicContact CG-CB 3.88Å; E221-V232 HydrophobicContact CG-CG1 4.4Å; E221-V232 WeakPolarHBondContact OE1-CG1 3.48Å; E221-P290 HydrophobicContact CB-CG 4.02Å; E221-P290 HydrophobicContact CG-CG 3.95Å; E221-R293 IonicContact OE1-CZ 3.78Å; E221-R293 IonicContact OE1-NH1 3.11Å; E221-R293 PolarHBondContact OE1-NH1 2.79Å; E221-R293 IonicContact OE1-NH2 2.66Å; E221-R293 IonicContact OE2-CZ 3.53Å; E221-R293 IonicContact OE2-NH1 2.78Å; E221-R293 IonicContact OE2-NH2 3.13Å; E221-R293 PolarHBondContact OE2-NH2 3.07Å
222	V	94.9	Very high	92.6	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-72.5	-44.6	175.2	-171.5	0	0	0	0	109.5	L211 C212 I218 A219 P220 S224 K225 H228 V232	L211-V222 HydrophobicContact CD1-CG1 4.21Å; L211-V222 VanDerWaalsContact CD1-O 3.23Å; L211-V222 WeakPolarHBondContact CD1-O 3.44Å; C212-V222 WeakPolarHBondContact O-CG1 3.4Å; I218-V222 HydrophobicContact CD1-CB 4.31Å; I218-V222 HydrophobicContact CD1-CG1 3.94Å; I218-V222 HydrophobicContact CG1-CB 3.93Å; I218-V222 HydrophobicContact CG1-CG1 4.01Å; A219-V222 HydrophobicContact CB-CG2 4.14Å; A219-V222 WeakPolarHBondContact O-CB 3.48Å; A219-V222 PolarHBondContact O-N 2.91Å; A219-V222 VanDerWaalsContact O-N 3.09Å; P220-V222 VanDerWaalsContact C-N 3.29Å; P220-V222 PolarHBondContact O-N 2.8Å; V222-S224 VanDerWaalsContact C-N 3.31Å; V222-S224 PolarHBondContact O-N 3.39Å; V222-K225 PolarHBondContact O-N 3.24Å; V222-H228 HydrophobicContact CG2-CB 3.86Å; V222-V232 HydrophobicContact CG2-CG1 3.66Å
223	L	92.6	Very high	93.1	Very high	17 Å²	17	32.2 Å²	32.2	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-30.8	176.5	-68.9	179	0	0	0	113.8	L211 I218 A219 P220 Y260 I263 K264	L211-L223 HydrophobicContact CD1-CD2 4.35Å; I218-L223 HydrophobicContact CD1-CD2 3.79Å; I218-L223 HydrophobicContact CD1-CG 4.29Å; I218-L223 HydrophobicContact CG1-CD2 4.34Å; I218-L223 HydrophobicContact CG1-CG 4.34Å; I218-L223 HydrophobicContact CG2-CD1 4.09Å; I218-L223 HydrophobicContact CG2-CD2 3.95Å; I218-L223 HydrophobicContact CG2-CG 4Å; A219-L223 PolarHBondContact O-N 3.27Å; P220-L223 PolarHBondContact O-N 3.21Å; L223-Y260 HydrophobicContact CD1-CD1 3.98Å; L223-Y260 HydrophobicContact CD1-CG 4.23Å; L223-Y260 HydrophobicContact CD2-CD1 3.74Å; L223-Y260 HydrophobicContact CD2-CD2 4.3Å; L223-Y260 HydrophobicContact CD2-CE1 3.88Å; L223-Y260 HydrophobicContact CD2-CE2 4.43Å; L223-Y260 HydrophobicContact CD2-CG 3.96Å; L223-I263 HydrophobicContact CD1-CB 3.92Å; L223-I263 HydrophobicContact CD1-CD1 4.24Å; L223-I263 HydrophobicContact CD1-CG2 3.64Å; L223-K264 HydrophobicContact CD1-CG 4.39Å
224	S	89.3	Confident	93.6	Very high	48 Å²	48	31.3 Å²	31.3	34%	0.336	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.4	178.5	54.1	0	0	0	0	113.3	P220 E221 V222 K226	P220-S224 WeakPolarHBondContact O-CB 3.43Å; P220-S224 PolarHBondContact O-N 3.5Å; P220-S224 PolarHBondContact O-OG 2.64Å; E221-S224 VanDerWaalsContact CA-OG 3.31Å; E221-S224 WeakPolarHBondContact CA-OG 3.2Å; E221-S224 PolarHBondContact O-OG 3.45Å; V222-S224 VanDerWaalsContact C-N 3.31Å; V222-S224 PolarHBondContact O-N 3.39Å; S224-K226 PolarHBondContact O-N 2.89Å; S224-K226 VanDerWaalsContact O-N 3.14Å
225	K	88.8	Confident	94.1	Very high	144 Å²	144	29.5 Å²	29.5	63%	0.626	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	27	179.7	-56.6	-178.6	180	178.7	0	113.6	E221 V222 G227	E221-K225 PolarHBondContact O-N 2.76Å; V222-K225 PolarHBondContact O-N 3.24Å; K225-G227 PolarHBondContact O-N 3.24Å
226	K	84.9	Confident	94.8	Very high	176 Å²	176	28 Å²	28	77%	0.765	14%	0.135	S	C	*	.	S	Bend	trans	-77.2	-2.3	179	-69.6	-177.1	177.4	-176.1	0	113.4	E221 S224	E221-K226 PolarHBondContact O-N 2.77Å; S224-K226 PolarHBondContact O-N 2.89Å; S224-K226 VanDerWaalsContact O-N 3.14Å
227	G	90.3	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.			trans	92	144.6	-170.8	0	0	0	0	0	111	R207 K208 K225	R207-G227 PolarHBondContact NH2-O 3.24Å; K208-G227 CarbonylContact O-C 3.36Å; K208-G227 WeakPolarHBondContact O-CA 3.26Å; K225-G227 PolarHBondContact O-N 3.24Å
228	H	94.6	Very high	95.4	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.014	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-142	153.8	-176.6	63	-85.7	0	0	0	112.1	R175 K208 T210 E221 V222 V232	R175-H228 VanDerWaalsContact CD-NE2 3.28Å; R175-H228 WeakPolarHBondContact CD-NE2 3.41Å; R175-H228 PolarHBondContact NH1-NE2 3.33Å; K208-H228 PolarHBondContact N-O 3.45Å; K208-H228 PolarHBondContact O-CE1 2.9Å; K208-H228 PolarHBondContact O-N 3.47Å; K208-H228 PolarHBondContact O-ND1 2.97Å; T210-H228 PolarHBondContact O-CE1 3.04Å; E221-H228 HydrophobicContact CG-CB 3.88Å; V222-H228 HydrophobicContact CG2-CB 3.86Å; H228-V232 HydrophobicContact CB-CG1 3.55Å
229	S	97	Very high	95.6	Very high	10 Å²	10	25 Å²	25	7%	0.07	12%	0.12	C	C	.	.			trans	-138.9	-148.7	174.9	-161.6	0	0	0	0	110.9	E231 V232	S229-E231 WeakPolarHBondContact CB-OE2 3.46Å; S229-E231 PolarHBondContact N-OE1 3.42Å; S229-E231 PolarHBondContact O-N 3.08Å; S229-E231 VanDerWaalsContact O-N 3.13Å; S229-V232 VanDerWaalsContact O-CG2 3.26Å; S229-V232 WeakPolarHBondContact O-CG2 3.41Å; S229-V232 PolarHBondContact O-N 3.39Å
230	F	98.1	Very high	95.7	Very high	59 Å²	59	25 Å²	25	26%	0.259	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-32.5	-175.1	-62.1	-70.4	0	0	0	115.3	H168 I173 V201 V232 D233	H168-F230 HydrophobicContact CB-CD1 4.03Å; H168-F230 HydrophobicContact CB-CE1 4.3Å; H168-F230 AromaticContact CD2-CD1 3.66Å; H168-F230 PolarHBondContact CE1-O 3.25Å; H168-F230 VanDerWaalsContact CE1-O 3.26Å; H168-F230 AromaticContact CG-CD1 3.6Å; H168-F230 AromaticContact ND1-CD1 3.88Å; H168-F230 AromaticContact NE2-CD1 3.95Å; I173-F230 HydrophobicContact CD1-CD1 4.4Å; I173-F230 HydrophobicContact CG1-CD1 3.55Å; I173-F230 HydrophobicContact CG1-CE1 3.72Å; I173-F230 HydrophobicContact CG1-CG 4.2Å; V201-F230 HydrophobicContact CB-CE2 4.4Å; V201-F230 HydrophobicContact CB-CZ 3.88Å; V201-F230 HydrophobicContact CG1-CE2 4.36Å; V201-F230 HydrophobicContact CG1-CZ 4.28Å; V201-F230 HydrophobicContact CG2-CE1 3.99Å; V201-F230 HydrophobicContact CG2-CE2 3.93Å; V201-F230 HydrophobicContact CG2-CZ 3.49Å; V201-F230 VanDerWaalsContact CG2-CZ 3.49Å; F230-V232 PolarHBondContact O-N 3.45Å; F230-D233 PolarHBondContact O-N 3.06Å; F230-D233 VanDerWaalsContact O-N 3.13Å
231	E	98.4	Very high	95.8	Very high	31 Å²	31	24.8 Å²	24.8	15%	0.145	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-17	-178.2	63.6	-96.6	-164.4	0	0	115	R207 S229 D233 V234 W235 P290 R293	R207-E231 IonicContact CZ-OE1 3.12Å; R207-E231 IonicContact NH1-OE1 2.79Å; R207-E231 PolarHBondContact NH1-OE1 3.27Å; R207-E231 IonicContact NH1-OE2 2.65Å; R207-E231 IonicContact NH2-OE1 3.68Å; R207-E231 PolarHBondContact NH2-OE1 3.43Å; S229-E231 WeakPolarHBondContact CB-OE2 3.46Å; S229-E231 PolarHBondContact N-OE1 3.42Å; S229-E231 PolarHBondContact O-N 3.08Å; S229-E231 VanDerWaalsContact O-N 3.13Å; E231-D233 VanDerWaalsContact C-N 3.3Å; E231-V234 PolarHBondContact O-N 3.34Å; E231-W235 PolarHBondContact O-N 3.2Å; E231-W235 VanDerWaalsContact O-N 3.08Å; E231-P290 HydrophobicContact CB-CB 4.34Å; E231-P290 HydrophobicContact CG-CB 3.65Å; E231-P290 HydrophobicContact CG-CG 4.27Å; E231-R293 PolarHBondContact O-NH1 3.37Å
232	V	98.3	Very high	96	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-68.6	-34.4	178.4	-59.9	0	0	0	0	111.1	I173 R175 A219 E221 V222 H228 S229 F230 V234 W235 S236	I173-V232 HydrophobicContact CG2-CG2 3.6Å; R175-V232 HydrophobicContact CG-CG2 4.05Å; A219-V232 HydrophobicContact CB-CB 4.22Å; A219-V232 HydrophobicContact CB-CG1 4.04Å; E221-V232 HydrophobicContact CG-CG1 4.4Å; E221-V232 WeakPolarHBondContact OE1-CG1 3.48Å; V222-V232 HydrophobicContact CG2-CG1 3.66Å; H228-V232 HydrophobicContact CB-CG1 3.55Å; S229-V232 VanDerWaalsContact O-CG2 3.26Å; S229-V232 WeakPolarHBondContact O-CG2 3.41Å; S229-V232 PolarHBondContact O-N 3.39Å; F230-V232 PolarHBondContact O-N 3.45Å; V232-V234 VanDerWaalsContact C-N 3.34Å; V232-W235 PolarHBondContact O-N 3.09Å; V232-S236 PolarHBondContact O-N 2.81Å; V232-S236 PolarHBondContact O-OG 3.09Å
233	D	98.7	Very high	96.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.4	-34.9	178	-69.5	-24.1	0	0	0	110.1	H168 I173 H174 R175 L177 F230 E231 S236 I237	H168-D233 IonicContact CD2-OD2 2.69Å; H168-D233 IonicContact CE1-OD2 3.12Å; H168-D233 IonicContact NE2-OD2 3.78Å; H168-D233 PolarHBondContact NE2-OD2 3.4Å; I173-D233 WeakPolarHBondContact CG2-OD2 3.35Å; H174-D233 PolarHBondContact N-OD1 3.31Å; H174-D233 PolarHBondContact N-OD2 2.97Å; R175-D233 PolarHBondContact N-OD1 3.22Å; L177-D233 HydrophobicContact CD1-CB 3.8Å; F230-D233 PolarHBondContact O-N 3.06Å; F230-D233 VanDerWaalsContact O-N 3.13Å; E231-D233 VanDerWaalsContact C-N 3.3Å; D233-S236 PolarHBondContact O-N 3.44Å; D233-I237 VanDerWaalsContact O-CG1 3.25Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å
234	V	98.9	Very high	96.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-44.5	173.4	178.6	0	0	0	0	110.9	E231 V232 S236 I237 G238 M285 R293 P294 I296	E231-V234 PolarHBondContact O-N 3.34Å; V232-V234 VanDerWaalsContact C-N 3.34Å; V234-S236 PolarHBondContact O-N 3.16Å; V234-I237 PolarHBondContact O-N 2.83Å; V234-G238 PolarHBondContact O-N 3.41Å; V234-M285 HydrophobicContact CG1-CB 4.23Å; V234-M285 HydrophobicContact CG1-CG 3.91Å; V234-M285 HydrophobicContact CG1-SD 4.3Å; V234-R293 HydrophobicContact CG1-CB 4.32Å; V234-P294 HydrophobicContact CG1-CG 4.42Å; V234-P294 WeakPolarHBondContact CG1-O 3.36Å; V234-I296 HydrophobicContact CG2-CD1 4.44Å
235	W	98.8	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.5	-48.1	173.3	173.1	-83	0	0	0	111.6	I218 A219 P220 E231 V232 I237 G238 C239 F251 I263 L286 Q287	I218-W235 PolarHBondContact O-NE1 2.97Å; I218-W235 VanDerWaalsContact O-NE1 3.09Å; A219-W235 HydrophobicContact CB-CB 3.95Å; A219-W235 HydrophobicContact CB-CD2 4.23Å; A219-W235 HydrophobicContact CB-CG 3.72Å; P220-W235 HydrophobicContact CG-CE3 4.34Å; P220-W235 HydrophobicContact CG-CH2 4.07Å; P220-W235 HydrophobicContact CG-CZ3 3.96Å; E231-W235 PolarHBondContact O-N 3.2Å; E231-W235 VanDerWaalsContact O-N 3.08Å; V232-W235 PolarHBondContact O-N 3.09Å; W235-I237 VanDerWaalsContact C-N 3.31Å; W235-I237 PolarHBondContact O-N 3Å; W235-G238 WeakPolarHBondContact O-CA 3.43Å; W235-G238 PolarHBondContact O-N 2.99Å; W235-C239 PolarHBondContact O-N 3.37Å; W235-F251 HydrophobicContact CH2-CE2 4.03Å; W235-F251 AromaticContact CH2-CZ 3.76Å; W235-F251 HydrophobicContact CH2-CZ 3.76Å; W235-F251 HydrophobicContact CZ2-CD2 4.36Å; W235-F251 AromaticContact CZ2-CE2 3.43Å; W235-F251 HydrophobicContact CZ2-CE2 3.43Å; W235-F251 VanDerWaalsContact CZ2-CE2 3.43Å; W235-F251 AromaticContact CZ2-CZ 3.65Å; W235-F251 HydrophobicContact CZ2-CZ 3.65Å; W235-I263 HydrophobicContact CH2-CG2 4.49Å; W235-I263 HydrophobicContact CZ2-CG2 3.9Å; W235-L286 HydrophobicContact CD2-CD2 3.88Å; W235-L286 HydrophobicContact CE3-CD2 4.01Å; W235-L286 HydrophobicContact CG-CD2 4.33Å; W235-L286 HydrophobicContact CH2-CD2 4.49Å; W235-L286 HydrophobicContact CZ2-CD2 4.37Å; W235-L286 HydrophobicContact CZ3-CB 4.26Å; W235-L286 HydrophobicContact CZ3-CD2 4.32Å; W235-L286 WeakPolarHBondContact O-CD2 3.37Å; W235-Q287 WeakPolarHBondContact CZ3-O 3.36Å
236	S	98.8	Very high	97.3	Very high	6 Å²	6	16 Å²	16	4%	0.042	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-39.2	177.8	-62.1	0	0	0	0	112.2	L177 Y217 V232 D233 V234 G238 C239 I240	L177-S236 WeakPolarHBondContact O-CB 3.4Å; Y217-S236 PolarHBondContact O-OG 3.44Å; V232-S236 PolarHBondContact O-N 2.81Å; V232-S236 PolarHBondContact O-OG 3.09Å; D233-S236 PolarHBondContact O-N 3.44Å; V234-S236 PolarHBondContact O-N 3.16Å; S236-G238 VanDerWaalsContact C-N 3.34Å; S236-C239 WeakPolarHBondContact O-CB 3.41Å; S236-C239 PolarHBondContact O-N 2.85Å; S236-I240 WeakPolarHBondContact O-CD1 3.38Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.37Å; S236-I240 PolarHBondContact O-N 3.27Å
237	I	98.9	Very high	97.8	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-63.2	-39.1	173.2	-68.4	166	0	0	0	111	L157 I160 V161 C164 L177 D233 V234 W235 C239 I240 M241 M285 I296 L299	L157-I237 HydrophobicContact CD2-CG2 4.17Å; I160-I237 HydrophobicContact CG2-CD1 4.18Å; I160-I237 HydrophobicContact CG2-CG1 3.93Å; V161-I237 HydrophobicContact CG2-CG2 4.38Å; C164-I237 HydrophobicContact CB-CD1 4.11Å; L177-I237 HydrophobicContact CD1-CD1 4.15Å; L177-I237 HydrophobicContact CD1-CG1 4Å; D233-I237 VanDerWaalsContact O-CG1 3.25Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å; V234-I237 PolarHBondContact O-N 2.83Å; W235-I237 VanDerWaalsContact C-N 3.31Å; W235-I237 PolarHBondContact O-N 3Å; I237-C239 PolarHBondContact O-N 2.92Å; I237-I240 PolarHBondContact O-N 3.23Å; I237-M241 WeakPolarHBondContact O-CB 3.36Å; I237-M241 PolarHBondContact O-N 2.96Å; I237-M285 HydrophobicContact CB-SD 4.34Å; I237-M285 HydrophobicContact CG2-CE 4.35Å; I237-M285 HydrophobicContact CG2-SD 3.87Å; I237-I296 HydrophobicContact CD1-CD1 3.48Å; I237-I296 VanDerWaalsContact CD1-CD1 3.48Å; I237-L299 HydrophobicContact CG2-CD1 4.39Å
238	G	98.8	Very high	98	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.5	-46.4	170.9	0	0	0	0	0	112.9	V234 W235 S236 I240 M241 Y242	V234-G238 PolarHBondContact O-N 3.41Å; W235-G238 WeakPolarHBondContact O-CA 3.43Å; W235-G238 PolarHBondContact O-N 2.99Å; S236-G238 VanDerWaalsContact C-N 3.34Å; G238-I240 VanDerWaalsContact C-N 3.34Å; G238-I240 PolarHBondContact O-N 2.8Å; G238-M241 PolarHBondContact O-N 2.92Å; G238-Y242 PolarHBondContact O-N 2.86Å
239	C	98.8	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-39.6	174.8	-74.5	0	0	0	0	112	Y217 W235 S236 I237 T243 P250	Y217-C239 HydrophobicContact CD1-CB 3.5Å; Y217-C239 VanDerWaalsContact CD1-CB 3.5Å; Y217-C239 HydrophobicContact CE1-CB 4.05Å; Y217-C239 HydrophobicContact CG-CB 4.44Å; W235-C239 PolarHBondContact O-N 3.37Å; S236-C239 WeakPolarHBondContact O-CB 3.41Å; S236-C239 PolarHBondContact O-N 2.85Å; I237-C239 PolarHBondContact O-N 2.92Å; C239-T243 WeakPolarHBondContact O-CB 3.45Å; C239-T243 PolarHBondContact O-N 2.64Å; C239-T243 PolarHBondContact O-OG1 2.73Å; C239-P250 HydrophobicContact CB-CG 4.15Å
240	I	98.9	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-48.7	176.1	-70.6	156	0	0	0	110.3	L157 I160 L177 L179 L182 Y217 S236 I237 G238 Y242 T243 L244	L157-I240 HydrophobicContact CD2-CG2 4.27Å; I160-I240 HydrophobicContact CD1-CG2 4.13Å; L177-I240 HydrophobicContact CB-CD1 4.15Å; L179-I240 HydrophobicContact CD2-CG1 4.44Å; L179-I240 HydrophobicContact CD2-CG2 3.91Å; L182-I240 HydrophobicContact CD1-CD1 3.76Å; L182-I240 HydrophobicContact CD1-CG1 4.45Å; L182-I240 HydrophobicContact CD1-CG2 4.35Å; Y217-I240 HydrophobicContact CD1-CG1 4.18Å; Y217-I240 HydrophobicContact CE1-CG1 3.98Å; S236-I240 WeakPolarHBondContact O-CD1 3.38Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.37Å; S236-I240 PolarHBondContact O-N 3.27Å; I237-I240 PolarHBondContact O-N 3.23Å; G238-I240 VanDerWaalsContact C-N 3.34Å; G238-I240 PolarHBondContact O-N 2.8Å; I240-Y242 PolarHBondContact O-N 3.2Å; I240-T243 PolarHBondContact O-N 2.95Å; I240-T243 VanDerWaalsContact O-N 3.08Å; I240-L244 HydrophobicContact CG2-CD1 3.97Å; I240-L244 HydrophobicContact CG2-CG 4.16Å; I240-L244 WeakPolarHBondContact O-CG 3.43Å; I240-L244 PolarHBondContact O-N 3.29Å
241	M	98.8	Very high	98	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-56.6	-48.3	177.3	177.1	173.5	-178.4	0	0	111.5	L157 I237 G238 T243 L244 L245 A278 L281 I282 M285 F304	L157-M241 HydrophobicContact CD1-CB 3.79Å; L157-M241 HydrophobicContact CD1-CG 3.61Å; L157-M241 HydrophobicContact CD1-SD 4.13Å; L157-M241 HydrophobicContact CD2-CB 3.94Å; I237-M241 WeakPolarHBondContact O-CB 3.36Å; I237-M241 PolarHBondContact O-N 2.96Å; G238-M241 PolarHBondContact O-N 2.92Å; M241-T243 VanDerWaalsContact C-N 3.32Å; M241-T243 PolarHBondContact O-N 3.21Å; M241-L244 PolarHBondContact O-N 3.34Å; M241-L245 HydrophobicContact CE-CD1 3.85Å; M241-L245 HydrophobicContact CG-CD1 3.96Å; M241-L245 WeakPolarHBondContact O-CG 2.94Å; M241-L245 PolarHBondContact O-N 3.01Å; M241-L245 VanDerWaalsContact O-N 3.08Å; M241-A278 HydrophobicContact CE-CB 3.88Å; M241-A278 WeakPolarHBondContact CE-O 3.47Å; M241-L281 HydrophobicContact CE-CB 4.12Å; M241-L281 HydrophobicContact CE-CD2 4.03Å; M241-L281 HydrophobicContact CE-CG 4.29Å; M241-L281 HydrophobicContact SD-CB 4.33Å; M241-L281 HydrophobicContact SD-CD2 3.85Å; M241-L281 HydrophobicContact SD-CG 3.96Å; M241-I282 HydrophobicContact CB-CG1 4.38Å; M241-I282 HydrophobicContact CE-CD1 4.45Å; M241-I282 HydrophobicContact CE-CG1 4.01Å; M241-I282 HydrophobicContact CG-CD1 4.2Å; M241-I282 HydrophobicContact CG-CG1 3.74Å; M241-I282 HydrophobicContact SD-CG1 3.77Å; M241-M285 HydrophobicContact CB-CE 4.03Å; M241-M285 HydrophobicContact CG-CE 4.4Å; M241-M285 HydrophobicContact SD-CE 3.48Å; M241-M285 WeakPolarHBondContact SD-CE 3.36Å; M241-F304 HydrophobicContact CE-CD1 3.82Å; M241-F304 HydrophobicContact CE-CD2 3.78Å; M241-F304 HydrophobicContact CE-CE1 3.8Å; M241-F304 HydrophobicContact CE-CE2 3.78Å; M241-F304 HydrophobicContact CE-CG 3.8Å; M241-F304 HydrophobicContact CE-CZ 3.78Å
242	Y	98.8	Very high	97.7	Very high	8 Å²	8	14.7 Å²	14.7	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-56.5	-48.2	173.9	-176.6	-76.3	0	0	0	110.9	G238 I240 L244 L245 V246 K248 P250 Y268 S269 I270 I282	G238-Y242 PolarHBondContact O-N 2.86Å; I240-Y242 PolarHBondContact O-N 3.2Å; Y242-L244 PolarHBondContact O-N 2.65Å; Y242-L245 PolarHBondContact O-N 3.41Å; Y242-V246 HydrophobicContact CD1-CB 3.95Å; Y242-V246 HydrophobicContact CD1-CG1 4.49Å; Y242-V246 HydrophobicContact CD1-CG2 3.98Å; Y242-V246 HydrophobicContact CD2-CG2 4.08Å; Y242-V246 HydrophobicContact CE1-CB 3.66Å; Y242-V246 HydrophobicContact CE1-CG1 3.7Å; Y242-V246 HydrophobicContact CE1-CG2 3.81Å; Y242-V246 HydrophobicContact CE2-CG2 3.93Å; Y242-V246 HydrophobicContact CG-CG2 4.1Å; Y242-V246 WeakPolarHBondContact O-CB 2.95Å; Y242-V246 WeakPolarHBondContact O-CG2 3.3Å; Y242-V246 PolarHBondContact O-N 2.83Å; Y242-K248 VanDerWaalsContact CD1-O 3.22Å; Y242-K248 WeakPolarHBondContact CD1-O 3.44Å; Y242-K248 VanDerWaalsContact CE1-O 3.23Å; Y242-K248 WeakPolarHBondContact CE1-O 3.21Å; Y242-P250 HydrophobicContact CD1-CB 3.72Å; Y242-P250 HydrophobicContact CD1-CG 4.13Å; Y242-P250 HydrophobicContact CD2-CB 4Å; Y242-P250 VanDerWaalsContact CE1-CA 3.46Å; Y242-P250 HydrophobicContact CE1-CB 3.93Å; Y242-P250 HydrophobicContact CE2-CB 4.17Å; Y242-P250 HydrophobicContact CG-CB 3.77Å; Y242-P250 HydrophobicContact CG-CG 4.18Å; Y242-Y268 HydrophobicContact CD2-CD2 4.28Å; Y242-Y268 AromaticContact CE2-CD2 3.99Å; Y242-Y268 HydrophobicContact CE2-CD2 3.99Å; Y242-S269 WeakPolarHBondContact CE2-O 3.4Å; Y242-S269 PolarHBondContact OH-O 3.44Å; Y242-I270 HydrophobicContact CD2-CG1 4.33Å; Y242-I270 HydrophobicContact CE2-CG1 4.07Å; Y242-I282 HydrophobicContact CD2-CD1 4.46Å; Y242-I282 HydrophobicContact CD2-CG2 4.1Å
243	T	98.6	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-40.2	-176.6	-53.8	0	0	0	0	112.4	L179 C239 I240 M241 G247 K248 P249	L179-T243 HydrophobicContact CD1-CG2 3.72Å; C239-T243 WeakPolarHBondContact O-CB 3.45Å; C239-T243 PolarHBondContact O-N 2.64Å; C239-T243 PolarHBondContact O-OG1 2.73Å; I240-T243 PolarHBondContact O-N 2.95Å; I240-T243 VanDerWaalsContact O-N 3.08Å; M241-T243 VanDerWaalsContact C-N 3.32Å; M241-T243 PolarHBondContact O-N 3.21Å; T243-G247 VanDerWaalsContact O-CA 3.32Å; T243-G247 WeakPolarHBondContact O-CA 3.19Å; T243-G247 PolarHBondContact O-N 2.86Å; T243-K248 WeakPolarHBondContact CA-O 3.42Å; T243-P249 WeakPolarHBondContact OG1-CA 3.2Å
244	L	98.4	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-39.1	177.8	-67.2	-177.5	0	0	0	111.8	A147 L148 L157 L179 I240 M241 Y242	A147-L244 CarbonylContact C-O 3.5Å; A147-L244 WeakPolarHBondContact CA-O 3.35Å; L148-L244 HydrophobicContact CD1-CD2 3.9Å; L148-L244 HydrophobicContact CG-CD2 4.48Å; L148-L244 PolarHBondContact N-O 2.84Å; L157-L244 HydrophobicContact CG-CD1 4.4Å; L179-L244 HydrophobicContact CD2-CD2 3.84Å; L179-L244 HydrophobicContact CD2-CG 4.36Å; I240-L244 HydrophobicContact CG2-CD1 3.97Å; I240-L244 HydrophobicContact CG2-CG 4.16Å; I240-L244 WeakPolarHBondContact O-CG 3.43Å; I240-L244 PolarHBondContact O-N 3.29Å; M241-L244 PolarHBondContact O-N 3.34Å; Y242-L244 PolarHBondContact O-N 2.65Å
245	L	98.2	Very high	96.7	Very high	9 Å²	9	24.2 Å²	24.2	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-84.9	-37.2	-177.3	-69.4	172.9	0	0	0	113.6	A147 E150 A153 M241 Y242 I274 A278 I282 F304	A147-L245 WeakPolarHBondContact CB-O 3.46Å; E150-L245 HydrophobicContact CG-CD2 4.01Å; A153-L245 HydrophobicContact CB-CD2 3.57Å; A153-L245 HydrophobicContact CB-CG 4.09Å; M241-L245 HydrophobicContact CE-CD1 3.85Å; M241-L245 HydrophobicContact CG-CD1 3.96Å; M241-L245 WeakPolarHBondContact O-CG 2.94Å; M241-L245 PolarHBondContact O-N 3.01Å; M241-L245 VanDerWaalsContact O-N 3.08Å; Y242-L245 PolarHBondContact O-N 3.41Å; L245-I274 HydrophobicContact CB-CD1 4.18Å; L245-A278 HydrophobicContact CD1-CB 3.87Å; L245-I282 HydrophobicContact CD1-CD1 4.27Å; L245-F304 HydrophobicContact CD1-CE2 4.45Å
246	V	97.8	Very high	96.3	Very high	22 Å²	22	28.3 Å²	28.3	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-93	-22.9	-174.9	-179.4	0	0	0	0	112.1	Y242 K248 P271 I274	Y242-V246 HydrophobicContact CD1-CB 3.95Å; Y242-V246 HydrophobicContact CD1-CG1 4.49Å; Y242-V246 HydrophobicContact CD1-CG2 3.98Å; Y242-V246 HydrophobicContact CD2-CG2 4.08Å; Y242-V246 HydrophobicContact CE1-CB 3.66Å; Y242-V246 HydrophobicContact CE1-CG1 3.7Å; Y242-V246 HydrophobicContact CE1-CG2 3.81Å; Y242-V246 HydrophobicContact CE2-CG2 3.93Å; Y242-V246 HydrophobicContact CG-CG2 4.1Å; Y242-V246 WeakPolarHBondContact O-CB 2.95Å; Y242-V246 WeakPolarHBondContact O-CG2 3.3Å; Y242-V246 PolarHBondContact O-N 2.83Å; V246-K248 HydrophobicContact CG1-CG 4.1Å; V246-P271 HydrophobicContact CG1-CG 3.86Å; V246-P271 HydrophobicContact CG2-CG 4.38Å; V246-I274 HydrophobicContact CG2-CD1 4.07Å; V246-I274 HydrophobicContact CG2-CG1 4.11Å
247	G	95.8	Very high	96	Very high	14 Å²	14	36.1 Å²	36.1	14%	0.144	20%	0.195	C	C	.	.	S	Bend	trans	83.2	9.1	180	0	0	0	0	0	115	H142 T243	H142-G247 VanDerWaalsContact CE1-C 3.42Å; H142-G247 PolarHBondContact CE1-O 3.49Å; T243-G247 VanDerWaalsContact O-CA 3.32Å; T243-G247 WeakPolarHBondContact O-CA 3.19Å; T243-G247 PolarHBondContact O-N 2.86Å
248	K	95	Very high	95.7	Very high	114 Å²	114	40.8 Å²	40.8	50%	0.496	22%	0.217	S	C	.	.	S	Bend	trans	-153.1	157.9	169.9	59.5	177.8	179.9	178.5	0	111.1	Y242 T243 V246	Y242-K248 VanDerWaalsContact CD1-O 3.22Å; Y242-K248 WeakPolarHBondContact CD1-O 3.44Å; Y242-K248 VanDerWaalsContact CE1-O 3.23Å; Y242-K248 WeakPolarHBondContact CE1-O 3.21Å; T243-K248 WeakPolarHBondContact CA-O 3.42Å; V246-K248 HydrophobicContact CG1-CG 4.1Å
249	P	96.5	Very high	95.5	Very high	13 Å²	13	41 Å²	41	8%	0.084	22%	0.218	C	C	.	.			trans	-67.2	150.7	177.9	-16	29.7	0	0	0	113.1	N216 T243 F251 E252	N216-P249 HydrophobicContact CB-CB 4.1Å; N216-P249 HydrophobicContact CB-CG 4.5Å; T243-P249 WeakPolarHBondContact OG1-CA 3.2Å; P249-F251 PolarHBondContact O-N 2.6Å; P249-E252 HydrophobicContact CB-CB 4.14Å; P249-E252 HydrophobicContact CG-CB 4.27Å
250	P	97.3	Very high	95.3	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.058	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-32.1	-173.3	21.7	-30.7	0	0	0	114.6	C239 Y242 Y268 L286	C239-P250 HydrophobicContact CB-CG 4.15Å; Y242-P250 HydrophobicContact CD1-CB 3.72Å; Y242-P250 HydrophobicContact CD1-CG 4.13Å; Y242-P250 HydrophobicContact CD2-CB 4Å; Y242-P250 VanDerWaalsContact CE1-CA 3.46Å; Y242-P250 HydrophobicContact CE1-CB 3.93Å; Y242-P250 HydrophobicContact CE2-CB 4.17Å; Y242-P250 HydrophobicContact CG-CB 3.77Å; Y242-P250 HydrophobicContact CG-CG 4.18Å; P250-Y268 HydrophobicContact CB-CD2 4.29Å; P250-Y268 HydrophobicContact CB-CG 4.34Å; P250-Y268 WeakPolarHBondContact O-CB 3.3Å; P250-L286 HydrophobicContact CB-CD1 4.43Å; P250-L286 HydrophobicContact CG-CD1 4.36Å
251	F	96.6	Very high	95.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	9.9	-173.6	-54.9	-73.8	0	0	0	113.5	W235 P249 T253 T259 R262 I263 Y268	W235-F251 HydrophobicContact CH2-CE2 4.03Å; W235-F251 AromaticContact CH2-CZ 3.76Å; W235-F251 HydrophobicContact CH2-CZ 3.76Å; W235-F251 HydrophobicContact CZ2-CD2 4.36Å; W235-F251 AromaticContact CZ2-CE2 3.43Å; W235-F251 HydrophobicContact CZ2-CE2 3.43Å; W235-F251 VanDerWaalsContact CZ2-CE2 3.43Å; W235-F251 AromaticContact CZ2-CZ 3.65Å; W235-F251 HydrophobicContact CZ2-CZ 3.65Å; P249-F251 PolarHBondContact O-N 2.6Å; F251-T253 PolarHBondContact O-N 3.47Å; F251-T259 HydrophobicContact CB-CG2 4.27Å; F251-T259 WeakPolarHBondContact O-CG2 3.49Å; F251-R262 HydrophobicContact CB-CB 4.47Å; F251-R262 HydrophobicContact CD1-CB 4.09Å; F251-I263 HydrophobicContact CB-CD1 4.4Å; F251-I263 HydrophobicContact CB-CG1 3.79Å; F251-I263 HydrophobicContact CD1-CG1 4.04Å; F251-I263 HydrophobicContact CD2-CG1 3.71Å; F251-I263 HydrophobicContact CE2-CG1 4.33Å; F251-I263 HydrophobicContact CG-CG1 3.56Å; F251-Y268 AromaticContact CE1-CD1 3.64Å; F251-Y268 HydrophobicContact CE1-CD1 3.64Å; F251-Y268 HydrophobicContact CE1-CG 4.04Å; F251-Y268 AromaticContact CZ-CD1 3.71Å; F251-Y268 HydrophobicContact CZ-CD1 3.71Å; F251-Y268 HydrophobicContact CZ-CE1 4.34Å; F251-Y268 HydrophobicContact CZ-CG 4.19Å
252	E	92.2	Very high	95	Very high	101 Å²	101	52.8 Å²	52.8	47%	0.472	27%	0.269	S	S	.	.			trans	-59.2	133.4	-174.7	-174.6	173.1	-117.1	0	0	112	P249 R262	P249-E252 HydrophobicContact CB-CB 4.14Å; P249-E252 HydrophobicContact CG-CB 4.27Å; E252-R262 PolarHBondContact O-NH1 3.22Å
253	T	91.9	Very high	94.9	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.184	27%	0.268	C	S	.	.			trans	-142.5	166.7	175.1	51.5	0	0	0	0	109.3	F251 C255 E258 T259 R262	F251-T253 PolarHBondContact O-N 3.47Å; T253-C255 PolarHBondContact O-N 3.13Å; T253-C255 PolarHBondContact OG1-O 3.22Å; T253-E258 HydrophobicContact CG2-CB 4.07Å; T253-T259 WeakPolarHBondContact OG1-CA 3.4Å; T253-T259 PolarHBondContact OG1-N 2.93Å; T253-T259 PolarHBondContact OG1-OG1 3.08Å; T253-R262 VanDerWaalsContact CG2-CZ 3.5Å
254	S	89.3	Confident	94.6	Very high	128 Å²	128	57.7 Å²	57.7	90%	0.895	29%	0.291	S	S	*	.	S	Bend	trans	-68.8	-24.7	173.5	52.8	0	0	0	0	112.9
255	C	92	Very high	94.5	Very high	50 Å²	50	64 Å²	64	34%	0.338	32%	0.318	S	S	.	.	S	Bend	trans	-116.3	130.2	-178.6	177.5	0	0	0	0	112.4	T253 K257 E258 T259	T253-C255 PolarHBondContact O-N 3.13Å; T253-C255 PolarHBondContact OG1-O 3.22Å; C255-K257 VanDerWaalsContact C-N 3.3Å; C255-K257 PolarHBondContact O-N 2.96Å; C255-E258 HydrophobicContact CB-CB 4.21Å; C255-E258 HydrophobicContact CB-CG 3.9Å; C255-E258 WeakPolarHBondContact O-CB 3.46Å; C255-E258 PolarHBondContact O-N 3.2Å; C255-E258 VanDerWaalsContact O-N 3.09Å; C255-T259 PolarHBondContact O-N 3.02Å; C255-T259 VanDerWaalsContact O-N 3.07Å; C255-T259 PolarHBondContact O-OG1 3.02Å
256	L	90.7	Very high	94.4	Very high	87 Å²	87	65.4 Å²	65.4	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-58.2	-38.3	178.7	-179.2	61.5	0	0	0	113.4	P215 E258 T259 Y260	P215-L256 HydrophobicContact CB-CD1 3.27Å; P215-L256 HydrophobicContact CG-CD1 3.35Å; L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 2.88Å; L256-T259 WeakPolarHBondContact O-CB 3.09Å; L256-T259 PolarHBondContact O-N 3.37Å; L256-Y260 HydrophobicContact CD1-CD1 4.41Å; L256-Y260 HydrophobicContact CD1-CE1 3.77Å; L256-Y260 HydrophobicContact CD1-CE2 4.18Å; L256-Y260 HydrophobicContact CD2-CE2 4.27Å; L256-Y260 HydrophobicContact CG-CD2 4.48Å; L256-Y260 HydrophobicContact CG-CE1 4.39Å; L256-Y260 HydrophobicContact CG-CE2 3.93Å; L256-Y260 PolarHBondContact O-N 2.61Å; L256-Y260 VanDerWaalsContact O-N 3.08Å
257	K	92.3	Very high	94.4	Very high	170 Å²	170	69 Å²	69	74%	0.739	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-36.8	178.5	-174.1	-178.4	176.7	-174.5	0	111.2	C255 L261	C255-K257 VanDerWaalsContact C-N 3.3Å; C255-K257 PolarHBondContact O-N 2.96Å; K257-L261 PolarHBondContact O-N 2.86Å
258	E	94	Very high	94.5	Very high	99 Å²	99	70.7 Å²	70.7	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-70.6	-39	176.1	-65.2	177.9	177.2	0	0	111.5	T253 C255 L256 Y260 L261 R262	T253-E258 HydrophobicContact CG2-CB 4.07Å; C255-E258 HydrophobicContact CB-CB 4.21Å; C255-E258 HydrophobicContact CB-CG 3.9Å; C255-E258 WeakPolarHBondContact O-CB 3.46Å; C255-E258 PolarHBondContact O-N 3.2Å; C255-E258 VanDerWaalsContact O-N 3.09Å; L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 2.88Å; E258-Y260 VanDerWaalsContact C-N 3.31Å; E258-Y260 PolarHBondContact O-N 3.4Å; E258-L261 WeakPolarHBondContact O-CB 3.38Å; E258-L261 PolarHBondContact O-N 3.27Å; E258-L261 VanDerWaalsContact O-N 3.08Å; E258-R262 PolarHBondContact O-N 3.27Å
259	T	94.3	Very high	94.6	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-55.3	-49.5	173.1	-50.1	0	0	0	0	110.1	F251 T253 C255 L256 L261 R262 I263	F251-T259 HydrophobicContact CB-CG2 4.27Å; F251-T259 WeakPolarHBondContact O-CG2 3.49Å; T253-T259 WeakPolarHBondContact OG1-CA 3.4Å; T253-T259 PolarHBondContact OG1-N 2.93Å; T253-T259 PolarHBondContact OG1-OG1 3.08Å; C255-T259 PolarHBondContact O-N 3.02Å; C255-T259 VanDerWaalsContact O-N 3.07Å; C255-T259 PolarHBondContact O-OG1 3.02Å; L256-T259 WeakPolarHBondContact O-CB 3.09Å; L256-T259 PolarHBondContact O-N 3.37Å; T259-L261 VanDerWaalsContact C-N 3.3Å; T259-L261 PolarHBondContact O-N 3.4Å; T259-R262 PolarHBondContact O-N 3.36Å; T259-I263 HydrophobicContact CG2-CD1 4.04Å; T259-I263 VanDerWaalsContact O-CG1 3.32Å; T259-I263 WeakPolarHBondContact O-CG1 3.12Å; T259-I263 PolarHBondContact O-N 3.08Å
260	Y	94.2	Very high	94.6	Very high	72 Å²	72	70.6 Å²	70.6	28%	0.282	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-34.5	177.2	-66	-17.5	0	0	0	113.3	P215 I218 L223 L256 E258 I263 K264	P215-Y260 HydrophobicContact CB-CE1 3.83Å; P215-Y260 HydrophobicContact CG-CE1 4.27Å; I218-Y260 HydrophobicContact CG2-CD1 4.44Å; I218-Y260 HydrophobicContact CG2-CE1 4.15Å; L223-Y260 HydrophobicContact CD1-CD1 3.98Å; L223-Y260 HydrophobicContact CD1-CG 4.23Å; L223-Y260 HydrophobicContact CD2-CD1 3.74Å; L223-Y260 HydrophobicContact CD2-CD2 4.3Å; L223-Y260 HydrophobicContact CD2-CE1 3.88Å; L223-Y260 HydrophobicContact CD2-CE2 4.43Å; L223-Y260 HydrophobicContact CD2-CG 3.96Å; L256-Y260 HydrophobicContact CD1-CD1 4.41Å; L256-Y260 HydrophobicContact CD1-CE1 3.77Å; L256-Y260 HydrophobicContact CD1-CE2 4.18Å; L256-Y260 HydrophobicContact CD2-CE2 4.27Å; L256-Y260 HydrophobicContact CG-CD2 4.48Å; L256-Y260 HydrophobicContact CG-CE1 4.39Å; L256-Y260 HydrophobicContact CG-CE2 3.93Å; L256-Y260 PolarHBondContact O-N 2.61Å; L256-Y260 VanDerWaalsContact O-N 3.08Å; E258-Y260 VanDerWaalsContact C-N 3.31Å; E258-Y260 PolarHBondContact O-N 3.4Å; Y260-I263 HydrophobicContact CD1-CD1 4.45Å; Y260-K264 WeakPolarHBondContact O-CG 3.17Å; Y260-K264 PolarHBondContact O-N 2.88Å
261	L	94.9	Very high	94.6	Very high	87 Å²	87	72 Å²	72	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-44.4	176.1	-173.1	64.5	0	0	0	111.1	K257 E258 T259 K264 K265	K257-L261 PolarHBondContact O-N 2.86Å; E258-L261 WeakPolarHBondContact O-CB 3.38Å; E258-L261 PolarHBondContact O-N 3.27Å; E258-L261 VanDerWaalsContact O-N 3.08Å; T259-L261 VanDerWaalsContact C-N 3.3Å; T259-L261 PolarHBondContact O-N 3.4Å; L261-K264 PolarHBondContact O-N 3.16Å; L261-K265 HydrophobicContact CD1-CD 4.41Å; L261-K265 HydrophobicContact CG-CD 4.23Å; L261-K265 WeakPolarHBondContact O-CB 3.18Å; L261-K265 WeakPolarHBondContact O-CG 3.48Å; L261-K265 PolarHBondContact O-N 3.45Å
262	R	95.9	Very high	94.6	Very high	90 Å²	90	82.5 Å²	82.5	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-61.3	-44.2	175.9	-75.2	-167.6	171.6	165	0.7	111.9	F251 E252 T253 E258 T259 K264 K265 N266 E267	F251-R262 HydrophobicContact CB-CB 4.47Å; F251-R262 HydrophobicContact CD1-CB 4.09Å; E252-R262 PolarHBondContact O-NH1 3.22Å; T253-R262 VanDerWaalsContact CG2-CZ 3.5Å; E258-R262 PolarHBondContact O-N 3.27Å; T259-R262 PolarHBondContact O-N 3.36Å; R262-K264 PolarHBondContact O-N 3.3Å; R262-K265 CarbonylContact O-C 3.52Å; R262-K265 PolarHBondContact O-N 2.94Å; R262-N266 WeakPolarHBondContact O-CA 3.23Å; R262-N266 PolarHBondContact O-N 3.04Å; R262-E267 HydrophobicContact CB-CB 4.25Å; R262-E267 HydrophobicContact CG-CB 4.23Å; R262-E267 PolarHBondContact O-N 3.33Å
263	I	96.3	Very high	94.6	Very high	0 Å²	0	84.5 Å²	84.5	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-58.7	-47.8	175.6	-67.6	164.4	0	0	0	110.7	P215 I218 P220 L223 W235 F251 T259 Y260 K265 N266	P215-I263 VanDerWaalsContact O-CD1 3.26Å; P215-I263 WeakPolarHBondContact O-CD1 3.42Å; I218-I263 HydrophobicContact CG2-CD1 3.87Å; P220-I263 HydrophobicContact CB-CG2 4.08Å; L223-I263 HydrophobicContact CD1-CB 3.92Å; L223-I263 HydrophobicContact CD1-CD1 4.24Å; L223-I263 HydrophobicContact CD1-CG2 3.64Å; W235-I263 HydrophobicContact CH2-CG2 4.49Å; W235-I263 HydrophobicContact CZ2-CG2 3.9Å; F251-I263 HydrophobicContact CB-CD1 4.4Å; F251-I263 HydrophobicContact CB-CG1 3.79Å; F251-I263 HydrophobicContact CD1-CG1 4.04Å; F251-I263 HydrophobicContact CD2-CG1 3.71Å; F251-I263 HydrophobicContact CE2-CG1 4.33Å; F251-I263 HydrophobicContact CG-CG1 3.56Å; T259-I263 HydrophobicContact CG2-CD1 4.04Å; T259-I263 VanDerWaalsContact O-CG1 3.32Å; T259-I263 WeakPolarHBondContact O-CG1 3.12Å; T259-I263 PolarHBondContact O-N 3.08Å; Y260-I263 HydrophobicContact CD1-CD1 4.45Å; I263-K265 VanDerWaalsContact C-N 3.29Å; I263-K265 PolarHBondContact O-N 3.18Å; I263-N266 PolarHBondContact O-N 3Å; I263-N266 VanDerWaalsContact O-N 3.13Å
264	K	94.3	Very high	94.9	Very high	111 Å²	111	83.8 Å²	83.8	48%	0.483	41%	0.413	S	S	.	.	H	α-helix	trans	-63.8	-33.1	179.3	-75.7	-178.8	179.4	-174.4	0	113.4	L223 Y260 L261 R262 N266	L223-K264 HydrophobicContact CD1-CG 4.39Å; Y260-K264 WeakPolarHBondContact O-CG 3.17Å; Y260-K264 PolarHBondContact O-N 2.88Å; L261-K264 PolarHBondContact O-N 3.16Å; R262-K264 PolarHBondContact O-N 3.3Å; K264-N266 VanDerWaalsContact C-N 3.34Å
265	K	96.1	Very high	95.2	Very high	134 Å²	134	80.4 Å²	80.4	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-86.8	-3.8	176.9	-69.4	-177.7	177.8	-176.7	0	113.5	L261 R262 I263 E267	L261-K265 HydrophobicContact CD1-CD 4.41Å; L261-K265 HydrophobicContact CG-CD 4.23Å; L261-K265 WeakPolarHBondContact O-CB 3.18Å; L261-K265 WeakPolarHBondContact O-CG 3.48Å; L261-K265 PolarHBondContact O-N 3.45Å; R262-K265 CarbonylContact O-C 3.52Å; R262-K265 PolarHBondContact O-N 2.94Å; I263-K265 VanDerWaalsContact C-N 3.29Å; I263-K265 PolarHBondContact O-N 3.18Å; K265-E267 HydrophobicContact CB-CB 4.2Å; K265-E267 PolarHBondContact O-N 3.22Å
266	N	96.3	Very high	95.5	Very high	37 Å²	37	83 Å²	83	20%	0.198	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	43.3	-168.5	-155.4	20.3	0	0	0	113.7	R262 I263 K264 Y268 L286 T288	R262-N266 WeakPolarHBondContact O-CA 3.23Å; R262-N266 PolarHBondContact O-N 3.04Å; I263-N266 PolarHBondContact O-N 3Å; I263-N266 VanDerWaalsContact O-N 3.13Å; K264-N266 VanDerWaalsContact C-N 3.34Å; N266-Y268 PolarHBondContact O-N 2.93Å; N266-Y268 VanDerWaalsContact OD1-CE1 3.29Å; N266-Y268 WeakPolarHBondContact OD1-CE1 3.49Å; N266-L286 PolarHBondContact ND2-O 2.89Å; N266-L286 PolarHBondContact OD1-O 3.13Å; N266-T288 WeakPolarHBondContact CB-OG1 3.45Å
267	E	96.9	Very high	95.8	Very high	98 Å²	98	80.3 Å²	80.3	46%	0.458	39%	0.388	S	S	.	.			trans	-94.5	92	-173.3	-167.9	-172.9	148.3	0	0	110.7	R262 K265	R262-E267 HydrophobicContact CB-CB 4.25Å; R262-E267 HydrophobicContact CG-CB 4.23Å; R262-E267 PolarHBondContact O-N 3.33Å; K265-E267 HydrophobicContact CB-CB 4.2Å; K265-E267 PolarHBondContact O-N 3.22Å
268	Y	97.4	Very high	96.1	Very high	50 Å²	50	72.2 Å²	72.2	20%	0.196	35%	0.353	C	S	.	.			trans	-145.4	164.1	171.1	73	-76.2	0	0	0	109.9	Y242 P250 F251 N266 I270 I282 L286	Y242-Y268 HydrophobicContact CD2-CD2 4.28Å; Y242-Y268 AromaticContact CE2-CD2 3.99Å; Y242-Y268 HydrophobicContact CE2-CD2 3.99Å; P250-Y268 HydrophobicContact CB-CD2 4.29Å; P250-Y268 HydrophobicContact CB-CG 4.34Å; P250-Y268 WeakPolarHBondContact O-CB 3.3Å; F251-Y268 AromaticContact CE1-CD1 3.64Å; F251-Y268 HydrophobicContact CE1-CD1 3.64Å; F251-Y268 HydrophobicContact CE1-CG 4.04Å; F251-Y268 AromaticContact CZ-CD1 3.71Å; F251-Y268 HydrophobicContact CZ-CD1 3.71Å; F251-Y268 HydrophobicContact CZ-CE1 4.34Å; F251-Y268 HydrophobicContact CZ-CG 4.19Å; N266-Y268 PolarHBondContact O-N 2.93Å; N266-Y268 VanDerWaalsContact OD1-CE1 3.29Å; N266-Y268 WeakPolarHBondContact OD1-CE1 3.49Å; Y268-I270 HydrophobicContact CD2-CG1 4.3Å; Y268-I270 HydrophobicContact CE2-CD1 4.12Å; Y268-I270 HydrophobicContact CE2-CG1 3.84Å; Y268-I282 HydrophobicContact CE2-CG2 4.11Å; Y268-L286 HydrophobicContact CD2-CD1 4.45Å; Y268-L286 HydrophobicContact CE1-CB 4.06Å; Y268-L286 HydrophobicContact CE1-CD1 4.36Å; Y268-L286 HydrophobicContact CE2-CD1 3.97Å
269	S	96.8	Very high	96.3	Very high	91 Å²	91	68.1 Å²	68.1	64%	0.636	34%	0.336	S	S	*	.			trans	-133.5	142.5	175.2	62.1	0	0	0	0	111.3	Y242	Y242-S269 WeakPolarHBondContact CE2-O 3.4Å; Y242-S269 PolarHBondContact OH-O 3.44Å
270	I	97.9	Very high	96.5	Very high	34 Å²	34	70.1 Å²	70.1	17%	0.174	35%	0.35	C	S	.	.			trans	-97.3	123.5	175.5	-55.2	177.8	0	0	0	107.6	Y242 Y268 I274 A279 I282 Q283	Y242-I270 HydrophobicContact CD2-CG1 4.33Å; Y242-I270 HydrophobicContact CE2-CG1 4.07Å; Y268-I270 HydrophobicContact CD2-CG1 4.3Å; Y268-I270 HydrophobicContact CE2-CD1 4.12Å; Y268-I270 HydrophobicContact CE2-CG1 3.84Å; I270-I274 HydrophobicContact CG2-CB 3.79Å; I270-I274 HydrophobicContact CG2-CG1 3.93Å; I270-I274 HydrophobicContact CG2-CG2 4Å; I270-A279 HydrophobicContact CD1-CB 3.97Å; I270-A279 WeakPolarHBondContact CD1-O 2.9Å; I270-A279 HydrophobicContact CG2-CB 3.96Å; I270-I282 HydrophobicContact CD1-CB 3.95Å; I270-I282 HydrophobicContact CD1-CD1 4.47Å; I270-I282 HydrophobicContact CD1-CG2 3.73Å; I270-I282 HydrophobicContact CG1-CG2 4.4Å; I270-Q283 HydrophobicContact CD1-CG 3.85Å
271	P	97.3	Very high	96.7	Very high	39 Å²	39	66.9 Å²	66.9	25%	0.253	34%	0.338	S	S	.	.			trans	-58.9	144.6	177.3	-25.6	35.1	0	0	0	112.8	V246 H273 I274	V246-P271 HydrophobicContact CG1-CG 3.86Å; V246-P271 HydrophobicContact CG2-CG 4.38Å; P271-H273 WeakPolarHBondContact CB-CE1 3.33Å; P271-H273 WeakPolarHBondContact CB-ND1 3.5Å; P271-H273 PolarHBondContact O-N 3.17Å; P271-H273 VanDerWaalsContact O-N 3.1Å; P271-I274 HydrophobicContact CB-CG1 4.36Å; P271-I274 WeakPolarHBondContact O-CB 3.28Å; P271-I274 WeakPolarHBondContact O-CG1 3.48Å; P271-I274 PolarHBondContact O-N 3.5Å
272	K	95.4	Very high	96.9	Very high	219 Å²	219	62.7 Å²	62.7	95%	0.952	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.3	-177.6	-63.8	-175.7	179.7	-178.5	0	114.9	I274	K272-I274 VanDerWaalsContact C-N 3.27Å
273	H	93.3	Very high	97.1	Very high	143 Å²	143	63 Å²	63	66%	0.662	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.8	177.9	69.8	-99.6	0	0	0	113.1	P271	P271-H273 WeakPolarHBondContact CB-CE1 3.33Å; P271-H273 WeakPolarHBondContact CB-ND1 3.5Å; P271-H273 PolarHBondContact O-N 3.17Å; P271-H273 VanDerWaalsContact O-N 3.1Å
274	I	97.4	Very high	97.2	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.082	34%	0.339	C	S	.	.	S	Bend	trans	-76	133.5	175	-57.6	-60	0	0	0	108.6	L245 V246 I270 P271 K272 A278 A279	L245-I274 HydrophobicContact CB-CD1 4.18Å; V246-I274 HydrophobicContact CG2-CD1 4.07Å; V246-I274 HydrophobicContact CG2-CG1 4.11Å; I270-I274 HydrophobicContact CG2-CB 3.79Å; I270-I274 HydrophobicContact CG2-CG1 3.93Å; I270-I274 HydrophobicContact CG2-CG2 4Å; P271-I274 HydrophobicContact CB-CG1 4.36Å; P271-I274 WeakPolarHBondContact O-CB 3.28Å; P271-I274 WeakPolarHBondContact O-CG1 3.48Å; P271-I274 PolarHBondContact O-N 3.5Å; K272-I274 VanDerWaalsContact C-N 3.27Å; I274-A278 HydrophobicContact CG2-CB 4.08Å; I274-A279 HydrophobicContact CG2-CB 4.37Å
275	N	95.1	Very high	97.4	Very high	56 Å²	56	62 Å²	62	30%	0.299	32%	0.317	S	S	.	.			trans	-54	133.1	177.8	179.6	-25.9	0	0	0	111.2	E150 V277 A278 A279	E150-N275 WeakPolarHBondContact OE1-CB 3.38Å; N275-V277 PolarHBondContact O-N 2.67Å; N275-V277 VanDerWaalsContact O-N 3.14Å; N275-V277 WeakPolarHBondContact OD1-CB 3.26Å; N275-V277 PolarHBondContact OD1-N 3.08Å; N275-A278 HydrophobicContact CB-CB 4.36Å; N275-A278 PolarHBondContact O-N 3.08Å; N275-A279 PolarHBondContact O-N 3.24Å
276	P	98.1	Very high	97.5	Very high	104 Å²	104	55.6 Å²	55.6	68%	0.675	29%	0.289	S	S	*	.	H	α-helix	trans	-51.2	-35.8	177.7	-29.1	35.6	0	0	0	114.6	A279 S280	P276-A279 PolarHBondContact O-N 3.45Å; P276-S280 WeakPolarHBondContact O-CB 3.44Å; P276-S280 PolarHBondContact O-N 2.99Å
277	V	98.1	Very high	97.6	Very high	32 Å²	32	57.4 Å²	57.4	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-47.6	177.7	178.6	0	0	0	0	110.7	N275 S280 L281 E303 F304	N275-V277 PolarHBondContact O-N 2.67Å; N275-V277 VanDerWaalsContact O-N 3.14Å; N275-V277 WeakPolarHBondContact OD1-CB 3.26Å; N275-V277 PolarHBondContact OD1-N 3.08Å; V277-S280 PolarHBondContact O-N 3.4Å; V277-L281 PolarHBondContact O-N 3.43Å; V277-E303 HydrophobicContact CG1-CB 3.8Å; V277-E303 HydrophobicContact CG1-CG 3.79Å; V277-E303 HydrophobicContact CG2-CG 4.38Å; V277-F304 HydrophobicContact CG1-CB 4.11Å
278	A	98.3	Very high	97.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-41.4	176.5	0	0	0	0	0	111.6	M241 L245 I274 N275 S280 L281 I282 F304	M241-A278 HydrophobicContact CE-CB 3.88Å; M241-A278 WeakPolarHBondContact CE-O 3.47Å; L245-A278 HydrophobicContact CD1-CB 3.87Å; I274-A278 HydrophobicContact CG2-CB 4.08Å; N275-A278 HydrophobicContact CB-CB 4.36Å; N275-A278 PolarHBondContact O-N 3.08Å; A278-S280 VanDerWaalsContact C-N 3.34Å; A278-S280 PolarHBondContact O-N 2.94Å; A278-L281 PolarHBondContact O-N 3.43Å; A278-I282 WeakPolarHBondContact O-CG1 3.38Å; A278-I282 PolarHBondContact O-N 3.35Å; A278-I282 VanDerWaalsContact O-N 3.08Å; A278-F304 HydrophobicContact CB-CD2 3.65Å; A278-F304 HydrophobicContact CB-CE2 3.66Å
279	A	98.6	Very high	97.6	Very high	13 Å²	13	57.2 Å²	57.2	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-41.1	177	0	0	0	0	0	112	I270 I274 N275 P276 I282 Q283	I270-A279 HydrophobicContact CD1-CB 3.97Å; I270-A279 WeakPolarHBondContact CD1-O 2.9Å; I270-A279 HydrophobicContact CG2-CB 3.96Å; I274-A279 HydrophobicContact CG2-CB 4.37Å; N275-A279 PolarHBondContact O-N 3.24Å; P276-A279 PolarHBondContact O-N 3.45Å; A279-I282 PolarHBondContact O-N 2.96Å; A279-Q283 VanDerWaalsContact O-CG 3.31Å; A279-Q283 WeakPolarHBondContact O-CG 3.34Å; A279-Q283 PolarHBondContact O-N 3.38Å
280	S	98.6	Very high	97.7	Very high	47 Å²	47	54.1 Å²	54.1	33%	0.329	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-48.5	176.2	-175	0	0	0	0	111.5	P276 V277 A278 I282 Q283 K284	P276-S280 WeakPolarHBondContact O-CB 3.44Å; P276-S280 PolarHBondContact O-N 2.99Å; V277-S280 PolarHBondContact O-N 3.4Å; A278-S280 VanDerWaalsContact C-N 3.34Å; A278-S280 PolarHBondContact O-N 2.94Å; S280-I282 PolarHBondContact O-N 3.11Å; S280-Q283 WeakPolarHBondContact O-CB 3.32Å; S280-Q283 PolarHBondContact O-N 3.39Å; S280-Q283 VanDerWaalsContact O-N 3.16Å; S280-K284 WeakPolarHBondContact O-CG 3.37Å; S280-K284 PolarHBondContact O-N 2.85Å
281	L	98.8	Very high	97.6	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-40.2	178.8	-179.3	56.7	0	0	0	112.6	M241 V277 A278 Q283 K284 M285 L299 D302 F304 F305	M241-L281 HydrophobicContact CE-CB 4.12Å; M241-L281 HydrophobicContact CE-CD2 4.03Å; M241-L281 HydrophobicContact CE-CG 4.29Å; M241-L281 HydrophobicContact SD-CB 4.33Å; M241-L281 HydrophobicContact SD-CD2 3.85Å; M241-L281 HydrophobicContact SD-CG 3.96Å; V277-L281 PolarHBondContact O-N 3.43Å; A278-L281 PolarHBondContact O-N 3.43Å; L281-Q283 VanDerWaalsContact C-N 3.31Å; L281-Q283 PolarHBondContact O-N 2.68Å; L281-K284 PolarHBondContact O-N 3.47Å; L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD1-CG 4.33Å; L281-M285 HydrophobicContact CD2-CE 4.44Å; L281-M285 HydrophobicContact CG-CE 3.94Å; L281-M285 PolarHBondContact O-N 3.02Å; L281-L299 HydrophobicContact CD1-CD2 4.11Å; L281-D302 HydrophobicContact CD1-CB 4.05Å; L281-D302 HydrophobicContact CD2-CB 4.22Å; L281-F304 HydrophobicContact CB-CB 4.41Å; L281-F304 HydrophobicContact CD2-CB 3.68Å; L281-F304 HydrophobicContact CD2-CD1 3.88Å; L281-F304 HydrophobicContact CD2-CG 4.02Å; L281-F305 HydrophobicContact CD2-CD2 4.42Å; L281-F305 HydrophobicContact CD2-CE2 3.92Å
282	I	98.8	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-47.2	172.7	-69	166	0	0	0	110.3	M241 Y242 L245 Y268 I270 A278 A279 S280 K284 M285 L286	M241-I282 HydrophobicContact CB-CG1 4.38Å; M241-I282 HydrophobicContact CE-CD1 4.45Å; M241-I282 HydrophobicContact CE-CG1 4.01Å; M241-I282 HydrophobicContact CG-CD1 4.2Å; M241-I282 HydrophobicContact CG-CG1 3.74Å; M241-I282 HydrophobicContact SD-CG1 3.77Å; Y242-I282 HydrophobicContact CD2-CD1 4.46Å; Y242-I282 HydrophobicContact CD2-CG2 4.1Å; L245-I282 HydrophobicContact CD1-CD1 4.27Å; Y268-I282 HydrophobicContact CE2-CG2 4.11Å; I270-I282 HydrophobicContact CD1-CB 3.95Å; I270-I282 HydrophobicContact CD1-CD1 4.47Å; I270-I282 HydrophobicContact CD1-CG2 3.73Å; I270-I282 HydrophobicContact CG1-CG2 4.4Å; A278-I282 WeakPolarHBondContact O-CG1 3.38Å; A278-I282 PolarHBondContact O-N 3.35Å; A278-I282 VanDerWaalsContact O-N 3.08Å; A279-I282 PolarHBondContact O-N 2.96Å; S280-I282 PolarHBondContact O-N 3.11Å; I282-K284 VanDerWaalsContact C-N 3.34Å; I282-K284 PolarHBondContact O-N 2.9Å; I282-M285 PolarHBondContact O-N 3.14Å; I282-L286 HydrophobicContact CG2-CD1 3.72Å; I282-L286 HydrophobicContact CG2-CG 4.3Å; I282-L286 WeakPolarHBondContact O-CB 3.31Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 2.82Å
283	Q	98.7	Very high	97.8	Very high	96 Å²	96	49.2 Å²	49.2	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-37.9	179.7	-71.5	171.1	3.8	0	0	112.6	I270 A279 S280 L281 Q287	I270-Q283 HydrophobicContact CD1-CG 3.85Å; A279-Q283 VanDerWaalsContact O-CG 3.31Å; A279-Q283 WeakPolarHBondContact O-CG 3.34Å; A279-Q283 PolarHBondContact O-N 3.38Å; S280-Q283 WeakPolarHBondContact O-CB 3.32Å; S280-Q283 PolarHBondContact O-N 3.39Å; S280-Q283 VanDerWaalsContact O-N 3.16Å; L281-Q283 VanDerWaalsContact C-N 3.31Å; L281-Q283 PolarHBondContact O-N 2.68Å; Q283-Q287 WeakPolarHBondContact O-CG 3.48Å; Q283-Q287 PolarHBondContact O-NE2 3.48Å
284	K	98.8	Very high	98.1	Very high	87 Å²	87	43.6 Å²	43.6	38%	0.378	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-43	175	-67.5	174.3	-165.4	172.6	0	111.9	S280 L281 I282 Q287 P294 D302	S280-K284 WeakPolarHBondContact O-CG 3.37Å; S280-K284 PolarHBondContact O-N 2.85Å; L281-K284 PolarHBondContact O-N 3.47Å; I282-K284 VanDerWaalsContact C-N 3.34Å; I282-K284 PolarHBondContact O-N 2.9Å; K284-Q287 WeakPolarHBondContact O-CG 3.29Å; K284-P294 HydrophobicContact CB-CG 4.48Å; K284-P294 WeakPolarHBondContact O-CD 3.34Å; K284-D302 IonicContact NZ-OD2 2.74Å; K284-D302 PolarHBondContact NZ-OD2 2.87Å
285	M	98.8	Very high	98.1	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-75	-31.4	-179.8	-68	-166.7	-77.2	0	0	113.4	V234 I237 M241 L281 I282 Q287 R293 P294 L299	V234-M285 HydrophobicContact CG1-CB 4.23Å; V234-M285 HydrophobicContact CG1-CG 3.91Å; V234-M285 HydrophobicContact CG1-SD 4.3Å; I237-M285 HydrophobicContact CB-SD 4.34Å; I237-M285 HydrophobicContact CG2-CE 4.35Å; I237-M285 HydrophobicContact CG2-SD 3.87Å; M241-M285 HydrophobicContact CB-CE 4.03Å; M241-M285 HydrophobicContact CG-CE 4.4Å; M241-M285 HydrophobicContact SD-CE 3.48Å; M241-M285 WeakPolarHBondContact SD-CE 3.36Å; L281-M285 HydrophobicContact CD1-CE 4.4Å; L281-M285 HydrophobicContact CD1-CG 4.33Å; L281-M285 HydrophobicContact CD2-CE 4.44Å; L281-M285 HydrophobicContact CG-CE 3.94Å; L281-M285 PolarHBondContact O-N 3.02Å; I282-M285 PolarHBondContact O-N 3.14Å; M285-Q287 VanDerWaalsContact C-N 3.34Å; M285-Q287 PolarHBondContact O-N 3.41Å; M285-R293 VanDerWaalsContact O-CD 3.3Å; M285-R293 WeakPolarHBondContact O-CD 3.38Å; M285-P294 HydrophobicContact CG-CG 4.22Å; M285-L299 HydrophobicContact CG-CD2 3.94Å; M285-L299 HydrophobicContact SD-CD1 4.03Å; M285-L299 HydrophobicContact SD-CD2 3.8Å
286	L	98.6	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	39.9	-178.3	-60.8	-175	0	0	0	112.8	W235 P250 N266 Y268 I282	W235-L286 HydrophobicContact CD2-CD2 3.88Å; W235-L286 HydrophobicContact CE3-CD2 4.01Å; W235-L286 HydrophobicContact CG-CD2 4.33Å; W235-L286 HydrophobicContact CH2-CD2 4.49Å; W235-L286 HydrophobicContact CZ2-CD2 4.37Å; W235-L286 HydrophobicContact CZ3-CB 4.26Å; W235-L286 HydrophobicContact CZ3-CD2 4.32Å; W235-L286 WeakPolarHBondContact O-CD2 3.37Å; P250-L286 HydrophobicContact CB-CD1 4.43Å; P250-L286 HydrophobicContact CG-CD1 4.36Å; N266-L286 PolarHBondContact ND2-O 2.89Å; N266-L286 PolarHBondContact OD1-O 3.13Å; Y268-L286 HydrophobicContact CD2-CD1 4.45Å; Y268-L286 HydrophobicContact CE1-CB 4.06Å; Y268-L286 HydrophobicContact CE1-CD1 4.36Å; Y268-L286 HydrophobicContact CE2-CD1 3.97Å; I282-L286 HydrophobicContact CG2-CD1 3.72Å; I282-L286 HydrophobicContact CG2-CG 4.3Å; I282-L286 WeakPolarHBondContact O-CB 3.31Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 2.82Å
287	Q	98.4	Very high	98.3	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	25%	0.251	S	S	.	.			trans	-80.9	139.1	169.1	-68.3	-62.3	-37.6	0	0	111	W235 Q283 K284 M285 D289 A292 R293	W235-Q287 WeakPolarHBondContact CZ3-O 3.36Å; Q283-Q287 WeakPolarHBondContact O-CG 3.48Å; Q283-Q287 PolarHBondContact O-NE2 3.48Å; K284-Q287 WeakPolarHBondContact O-CG 3.29Å; M285-Q287 VanDerWaalsContact C-N 3.34Å; M285-Q287 PolarHBondContact O-N 3.41Å; Q287-D289 VanDerWaalsContact C-N 3.28Å; Q287-D289 PolarHBondContact O-N 2.9Å; Q287-A292 HydrophobicContact CB-CB 4.13Å; Q287-A292 HydrophobicContact CG-CB 4.28Å; Q287-R293 HydrophobicContact CB-CG 4.09Å; Q287-R293 PolarHBondContact O-NE 3.16Å; Q287-R293 PolarHBondContact O-NH2 3.05Å
288	T	97.1	Very high	98.3	Very high	62 Å²	62	47.2 Å²	47.2	38%	0.38	26%	0.264	S	S	.	.	S	Bend	trans	-61.7	-40.2	177.1	-53.2	0	0	0	0	111.5	P220 N266 P290 R293	P220-T288 HydrophobicContact CB-CG2 4.29Å; P220-T288 HydrophobicContact CG-CG2 4.21Å; N266-T288 WeakPolarHBondContact CB-OG1 3.45Å; T288-P290 VanDerWaalsContact O-CD 3.27Å; T288-P290 WeakPolarHBondContact O-CD 3.43Å; T288-R293 PolarHBondContact O-NH2 3.37Å
289	D	97.5	Very high	98.3	Very high	82 Å²	82	47.3 Å²	47.3	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-75.4	116.6	176.5	-177	-5.3	0	0	0	110.2	Q287 T291 A292	Q287-D289 VanDerWaalsContact C-N 3.28Å; Q287-D289 PolarHBondContact O-N 2.9Å; D289-T291 VanDerWaalsContact CG-OG1 3.26Å; D289-T291 PolarHBondContact O-N 2.98Å; D289-T291 PolarHBondContact OD1-N 3.23Å; D289-T291 PolarHBondContact OD1-OG1 3.29Å; D289-T291 PolarHBondContact OD2-OG1 3.07Å; D289-T291 VanDerWaalsContact OD2-OG1 3.12Å; D289-A292 HydrophobicContact CB-CB 4.02Å; D289-A292 PolarHBondContact O-N 3.44Å
290	P	97.7	Very high	98.3	Very high	26 Å²	26	48.3 Å²	48.3	17%	0.169	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-43.1	-42.1	169.8	-39.3	45.1	0	0	0	115.5	E221 E231 T288 A292 R293	E221-P290 HydrophobicContact CB-CG 4.02Å; E221-P290 HydrophobicContact CG-CG 3.95Å; E231-P290 HydrophobicContact CB-CB 4.34Å; E231-P290 HydrophobicContact CG-CB 3.65Å; E231-P290 HydrophobicContact CG-CG 4.27Å; T288-P290 VanDerWaalsContact O-CD 3.27Å; T288-P290 WeakPolarHBondContact O-CD 3.43Å; P290-A292 VanDerWaalsContact C-N 3.35Å; P290-R293 PolarHBondContact O-N 3.36Å
291	T	97.3	Very high	98.3	Very high	120 Å²	120	51.9 Å²	51.9	74%	0.736	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-82.8	-17.1	-169.2	65.7	0	0	0	0	112.8	D289 R293	D289-T291 VanDerWaalsContact CG-OG1 3.26Å; D289-T291 PolarHBondContact O-N 2.98Å; D289-T291 PolarHBondContact OD1-N 3.23Å; D289-T291 PolarHBondContact OD1-OG1 3.29Å; D289-T291 PolarHBondContact OD2-OG1 3.07Å; D289-T291 VanDerWaalsContact OD2-OG1 3.12Å; T291-R293 VanDerWaalsContact C-N 3.31Å
292	A	98.1	Very high	98.2	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-82.9	-8.5	174.6	0	0	0	0	0	112.9	Q287 D289 P290	Q287-A292 HydrophobicContact CB-CB 4.13Å; Q287-A292 HydrophobicContact CG-CB 4.28Å; D289-A292 HydrophobicContact CB-CB 4.02Å; D289-A292 PolarHBondContact O-N 3.44Å; P290-A292 VanDerWaalsContact C-N 3.35Å
293	R	98.6	Very high	98.2	Very high	14 Å²	14	58 Å²	58	5%	0.053	31%	0.313	C	S	.	.	S	Bend	trans	-82	145.6	176.6	-58.9	176.5	-162.2	147.3	10.3	110	E221 E231 V234 M285 Q287 T288 P290 T291	E221-R293 IonicContact OE1-CZ 3.78Å; E221-R293 IonicContact OE1-NH1 3.11Å; E221-R293 PolarHBondContact OE1-NH1 2.79Å; E221-R293 IonicContact OE1-NH2 2.66Å; E221-R293 IonicContact OE2-CZ 3.53Å; E221-R293 IonicContact OE2-NH1 2.78Å; E221-R293 IonicContact OE2-NH2 3.13Å; E221-R293 PolarHBondContact OE2-NH2 3.07Å; E231-R293 PolarHBondContact O-NH1 3.37Å; V234-R293 HydrophobicContact CG1-CB 4.32Å; M285-R293 VanDerWaalsContact O-CD 3.3Å; M285-R293 WeakPolarHBondContact O-CD 3.38Å; Q287-R293 HydrophobicContact CB-CG 4.09Å; Q287-R293 PolarHBondContact O-NE 3.16Å; Q287-R293 PolarHBondContact O-NH2 3.05Å; T288-R293 PolarHBondContact O-NH2 3.37Å; P290-R293 PolarHBondContact O-N 3.36Å; T291-R293 VanDerWaalsContact C-N 3.31Å
294	P	98.5	Very high	98.2	Very high	24 Å²	24	53.5 Å²	53.5	16%	0.156	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-61.9	150	170.1	28.1	-35.5	0	0	0	110.7	V234 K284 M285 E298 L299	V234-P294 HydrophobicContact CG1-CG 4.42Å; V234-P294 WeakPolarHBondContact CG1-O 3.36Å; K284-P294 HydrophobicContact CB-CG 4.48Å; K284-P294 WeakPolarHBondContact O-CD 3.34Å; M285-P294 HydrophobicContact CG-CG 4.22Å; P294-E298 HydrophobicContact CB-CB 4.16Å; P294-L299 HydrophobicContact CB-CD2 4.04Å; P294-L299 HydrophobicContact CG-CD2 3.5Å; P294-L299 VanDerWaalsContact CG-CD2 3.5Å
295	T	98.1	Very high	98.1	Very high	74 Å²	74	50 Å²	50	45%	0.454	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-71	162.4	167.2	69.4	0	0	0	0	110.7	N297 E298	T295-N297 PolarHBondContact O-N 3.04Å; T295-N297 VanDerWaalsContact O-N 3.14Å; T295-E298 WeakPolarHBondContact CA-OE2 3.48Å; T295-E298 VanDerWaalsContact CB-OE2 3.25Å; T295-E298 WeakPolarHBondContact CB-OE2 3.48Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.13Å; T295-E298 PolarHBondContact N-OE2 2.88Å; T295-E298 PolarHBondContact O-N 3.22Å; T295-E298 VanDerWaalsContact O-N 3.09Å; T295-E298 WeakPolarHBondContact OG1-CG 3.3Å; T295-E298 PolarHBondContact OG1-OE2 2.95Å
296	I	98.5	Very high	98	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.5	179.5	-161.3	72.5	0	0	0	113.2	V161 C164 Q165 H168 V234 I237 E298 L299	V161-I296 HydrophobicContact CG1-CD1 4.25Å; V161-I296 HydrophobicContact CG1-CG1 4.3Å; C164-I296 HydrophobicContact CB-CD1 3.69Å; C164-I296 HydrophobicContact CB-CG1 3.94Å; Q165-I296 HydrophobicContact CG-CB 4.35Å; Q165-I296 HydrophobicContact CG-CG1 3.75Å; Q165-I296 HydrophobicContact CG-CG2 3.99Å; Q165-I296 PolarHBondContact NE2-O 3.09Å; H168-I296 HydrophobicContact CB-CG2 4.02Å; H168-I296 WeakPolarHBondContact ND1-CG2 3.26Å; V234-I296 HydrophobicContact CG2-CD1 4.44Å; I237-I296 HydrophobicContact CD1-CD1 3.48Å; I237-I296 VanDerWaalsContact CD1-CD1 3.48Å; I296-E298 VanDerWaalsContact C-N 3.35Å; I296-L299 HydrophobicContact CD1-CD1 3.8Å
297	N	98.3	Very high	97.7	Very high	104 Å²	104	58.5 Å²	58.5	56%	0.556	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.4	179.5	-66	-37.1	0	0	0	112.7	T295	T295-N297 PolarHBondContact O-N 3.04Å; T295-N297 VanDerWaalsContact O-N 3.14Å
298	E	98.3	Very high	97.2	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.1	-179.1	-68.7	165.6	95.8	0	0	112.5	P294 T295 I296 L300 N301	P294-E298 HydrophobicContact CB-CB 4.16Å; T295-E298 WeakPolarHBondContact CA-OE2 3.48Å; T295-E298 VanDerWaalsContact CB-OE2 3.25Å; T295-E298 WeakPolarHBondContact CB-OE2 3.48Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.13Å; T295-E298 PolarHBondContact N-OE2 2.88Å; T295-E298 PolarHBondContact O-N 3.22Å; T295-E298 VanDerWaalsContact O-N 3.09Å; T295-E298 WeakPolarHBondContact OG1-CG 3.3Å; T295-E298 PolarHBondContact OG1-OE2 2.95Å; I296-E298 VanDerWaalsContact C-N 3.35Å; E298-L300 PolarHBondContact O-N 3.17Å; E298-N301 WeakPolarHBondContact O-CB 3.33Å; E298-N301 PolarHBondContact O-N 3.32Å
299	L	98.4	Very high	96.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58	-44	-171	-67.5	-174.5	0	0	0	113.9	V161 I237 L281 M285 P294 I296 N301 D302 F305	V161-L299 HydrophobicContact CG1-CB 3.99Å; V161-L299 HydrophobicContact CG1-CD1 4.34Å; V161-L299 HydrophobicContact CG2-CB 4.21Å; V161-L299 HydrophobicContact CG2-CD1 3.77Å; I237-L299 HydrophobicContact CG2-CD1 4.39Å; L281-L299 HydrophobicContact CD1-CD2 4.11Å; M285-L299 HydrophobicContact CG-CD2 3.94Å; M285-L299 HydrophobicContact SD-CD1 4.03Å; M285-L299 HydrophobicContact SD-CD2 3.8Å; P294-L299 HydrophobicContact CB-CD2 4.04Å; P294-L299 HydrophobicContact CG-CD2 3.5Å; P294-L299 VanDerWaalsContact CG-CD2 3.5Å; I296-L299 HydrophobicContact CD1-CD1 3.8Å; L299-N301 PolarHBondContact O-N 2.79Å; L299-D302 WeakPolarHBondContact O-CB 3.34Å; L299-D302 PolarHBondContact O-N 3.46Å; L299-F305 WeakPolarHBondContact O-CD2 3.4Å; L299-F305 VanDerWaalsContact O-CE2 3.3Å; L299-F305 WeakPolarHBondContact O-CE2 3.41Å
300	L	98.1	Very high	96.7	Very high	34 Å²	34	57.5 Å²	57.5	18%	0.178	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-70.7	-14.4	-178.4	-63.5	-177.3	0	0	0	113.5	R158 V161 L162 E298 F305	R158-L300 HydrophobicContact CB-CD2 4.32Å; R158-L300 HydrophobicContact CG-CD2 4.08Å; V161-L300 HydrophobicContact CB-CD2 3.9Å; V161-L300 HydrophobicContact CB-CG 4.3Å; V161-L300 HydrophobicContact CG1-CD1 4.22Å; V161-L300 HydrophobicContact CG1-CD2 3.8Å; V161-L300 HydrophobicContact CG1-CG 3.65Å; V161-L300 HydrophobicContact CG2-CD2 4.49Å; L162-L300 HydrophobicContact CD2-CD1 3.71Å; L162-L300 HydrophobicContact CG-CD1 3.99Å; E298-L300 PolarHBondContact O-N 3.17Å; L300-F305 HydrophobicContact CD2-CD1 4.3Å; L300-F305 HydrophobicContact CD2-CD2 4.44Å; L300-F305 HydrophobicContact CD2-CE1 4.23Å; L300-F305 HydrophobicContact CD2-CE2 4.36Å; L300-F305 HydrophobicContact CD2-CG 4.39Å; L300-F305 HydrophobicContact CD2-CZ 4.25Å
301	N	98.1	Very high	96.3	Very high	122 Å²	122	56.4 Å²	56.4	65%	0.652	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-89.9	-7.2	176.7	-59.5	-35.6	0	0	0	112.2	E298 L299	E298-N301 WeakPolarHBondContact O-CB 3.33Å; E298-N301 PolarHBondContact O-N 3.32Å; L299-N301 PolarHBondContact O-N 2.79Å
302	D	98.6	Very high	95.9	Very high	21 Å²	21	54.5 Å²	54.5	11%	0.112	31%	0.312	C	S	.	.	S	Bend	trans	-65.6	149.2	176.5	-172.6	-91	0	0	0	111.4	L281 K284 L299 F304 F305 T306	L281-D302 HydrophobicContact CD1-CB 4.05Å; L281-D302 HydrophobicContact CD2-CB 4.22Å; K284-D302 IonicContact NZ-OD2 2.74Å; K284-D302 PolarHBondContact NZ-OD2 2.87Å; L299-D302 WeakPolarHBondContact O-CB 3.34Å; L299-D302 PolarHBondContact O-N 3.46Å; D302-F304 PolarHBondContact O-N 3.19Å; D302-F304 VanDerWaalsContact O-N 3.09Å; D302-F304 WeakPolarHBondContact OD1-CB 3.32Å; D302-F304 PolarHBondContact OD1-N 3.27Å; D302-F305 PolarHBondContact O-N 2.96Å; D302-T306 PolarHBondContact O-N 2.85Å; D302-T306 VanDerWaalsContact O-N 3.12Å; D302-T306 PolarHBondContact O-OG1 2.8Å
303	E	97.7	Very high	95.5	Very high	110 Å²	110	54.6 Å²	54.6	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-53.5	-31.1	-179.6	-171.3	-175.6	173.5	0	0	112.6	V277 F305 T306 S307	V277-E303 HydrophobicContact CG1-CB 3.8Å; V277-E303 HydrophobicContact CG1-CG 3.79Å; V277-E303 HydrophobicContact CG2-CG 4.38Å; E303-F305 PolarHBondContact O-N 3.44Å; E303-T306 WeakPolarHBondContact CA-OG1 3.4Å; E303-T306 PolarHBondContact O-N 3.21Å; E303-S307 WeakPolarHBondContact CG-OG 2.91Å; E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 3.42Å
304	F	98.3	Very high	95	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-36	176	178.1	-106.8	0	0	0	112.8	A153 R154 L157 M241 L245 V277 A278 L281 D302	A153-F304 HydrophobicContact CB-CZ 4.48Å; R154-F304 HydrophobicContact CB-CE1 4.38Å; R154-F304 VanDerWaalsContact CD-O 3.26Å; R154-F304 WeakPolarHBondContact CD-O 3.44Å; R154-F304 HydrophobicContact CG-CD1 4.1Å; R154-F304 HydrophobicContact CG-CE1 3.47Å; R154-F304 VanDerWaalsContact CG-CE1 3.47Å; R154-F304 HydrophobicContact CG-CE2 4.13Å; R154-F304 HydrophobicContact CG-CZ 3.48Å; R154-F304 VanDerWaalsContact CG-CZ 3.48Å; R154-F304 PolarHBondContact NE-O 3.07Å; L157-F304 HydrophobicContact CD1-CE1 3.84Å; L157-F304 HydrophobicContact CD1-CZ 4.32Å; M241-F304 HydrophobicContact CE-CD1 3.82Å; M241-F304 HydrophobicContact CE-CD2 3.78Å; M241-F304 HydrophobicContact CE-CE1 3.8Å; M241-F304 HydrophobicContact CE-CE2 3.78Å; M241-F304 HydrophobicContact CE-CG 3.8Å; M241-F304 HydrophobicContact CE-CZ 3.78Å; L245-F304 HydrophobicContact CD1-CE2 4.45Å; V277-F304 HydrophobicContact CG1-CB 4.11Å; A278-F304 HydrophobicContact CB-CD2 3.65Å; A278-F304 HydrophobicContact CB-CE2 3.66Å; L281-F304 HydrophobicContact CB-CB 4.41Å; L281-F304 HydrophobicContact CD2-CB 3.68Å; L281-F304 HydrophobicContact CD2-CD1 3.88Å; L281-F304 HydrophobicContact CD2-CG 4.02Å; D302-F304 PolarHBondContact O-N 3.19Å; D302-F304 VanDerWaalsContact O-N 3.09Å; D302-F304 WeakPolarHBondContact OD1-CB 3.32Å; D302-F304 PolarHBondContact OD1-N 3.27Å
305	F	97.7	Very high	94.5	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-93.2	-42.5	178.2	-64.8	-78.9	0	0	0	112.6	R154 L157 R158 L281 L299 L300 D302 E303 I310	R154-F305 HydrophobicContact CB-CD1 4.5Å; L157-F305 HydrophobicContact CB-CE1 3.91Å; L157-F305 HydrophobicContact CB-CZ 3.83Å; R158-F305 HydrophobicContact CB-CD1 4.47Å; R158-F305 HydrophobicContact CB-CE1 4.23Å; L281-F305 HydrophobicContact CD2-CD2 4.42Å; L281-F305 HydrophobicContact CD2-CE2 3.92Å; L299-F305 WeakPolarHBondContact O-CD2 3.4Å; L299-F305 VanDerWaalsContact O-CE2 3.3Å; L299-F305 WeakPolarHBondContact O-CE2 3.41Å; L300-F305 HydrophobicContact CD2-CD1 4.3Å; L300-F305 HydrophobicContact CD2-CD2 4.44Å; L300-F305 HydrophobicContact CD2-CE1 4.23Å; L300-F305 HydrophobicContact CD2-CE2 4.36Å; L300-F305 HydrophobicContact CD2-CG 4.39Å; L300-F305 HydrophobicContact CD2-CZ 4.25Å; D302-F305 PolarHBondContact O-N 2.96Å; E303-F305 PolarHBondContact O-N 3.44Å; F305-I310 HydrophobicContact CB-CD1 4.28Å; F305-I310 HydrophobicContact CD1-CD1 4.17Å
306	T	96.6	Very high	93.9	Very high	90 Å²	90	52.8 Å²	52.8	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-76.5	-29.5	-170.3	52.9	0	0	0	0	113.6	D302 E303	D302-T306 PolarHBondContact O-N 2.85Å; D302-T306 VanDerWaalsContact O-N 3.12Å; D302-T306 PolarHBondContact O-OG1 2.8Å; E303-T306 WeakPolarHBondContact CA-OG1 3.4Å; E303-T306 PolarHBondContact O-N 3.21Å
307	S	91.7	Very high	93.3	Very high	92 Å²	92	52.9 Å²	52.9	64%	0.643	29%	0.288	S	S	*	.	S	Bend	trans	-101.7	-5.1	-178.8	-59.9	0	0	0	0	113.7	E303	E303-S307 WeakPolarHBondContact CG-OG 2.91Å; E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 3.42Å
308	G	87.9	Confident	92.9	Very high	19 Å²	19	48 Å²	48	20%	0.196	26%	0.262	C	S	.	.	S	Bend	trans	-107.2	149.2	-176.1	0	0	0	0	0	113.3	I310	G308-I310 PolarHBondContact O-N 2.94Å
309	Y	91.1	Very high	92.4	Very high	126 Å²	126	43.6 Å²	43.6	49%	0.494	24%	0.242	S	C	.	.			trans	-64.6	127	172.9	175.9	-114.6	0	0	0	111.2	P151 R154 P311 F325	P151-Y309 HydrophobicContact CB-CD1 3.96Å; P151-Y309 HydrophobicContact CG-CD1 4.29Å; R154-Y309 WeakPolarHBondContact CD-O 3.5Å; R154-Y309 PolarHBondContact NH1-O 2.68Å; Y309-P311 HydrophobicContact CD1-CG 4.28Å; Y309-P311 HydrophobicContact CE1-CB 4.25Å; Y309-P311 HydrophobicContact CE1-CG 3.73Å; Y309-F325 HydrophobicContact CD1-CB 4.47Å; Y309-F325 HydrophobicContact CD1-CD1 4Å; Y309-F325 HydrophobicContact CD1-CG 4.4Å; Y309-F325 AromaticContact CE1-CD1 3.52Å; Y309-F325 HydrophobicContact CE1-CD1 3.52Å; Y309-F325 HydrophobicContact CE1-CE1 4.07Å; Y309-F325 HydrophobicContact CE1-CG 4.31Å
310	I	92.7	Very high	91.7	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.267	25%	0.246	S	C	.	.			trans	-115.8	111.6	174	-51.3	-173.9	0	0	0	108	R154 F305 G308	R154-I310 HydrophobicContact CB-CG1 4.02Å; F305-I310 HydrophobicContact CB-CD1 4.28Å; F305-I310 HydrophobicContact CD1-CD1 4.17Å; G308-I310 PolarHBondContact O-N 2.94Å
311	P	90.2	Very high	91.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.019	24%	0.24	C	C	.	.			trans	-58.5	141	174.1	-20.8	31.4	0	0	0	111.1	P151 Y155 Y309 R313 L314 F325 L505	P151-P311 HydrophobicContact CB-CG 3.91Å; P151-P311 VanDerWaalsContact O-CD 3.32Å; P151-P311 WeakPolarHBondContact O-CD 3.4Å; Y155-P311 VanDerWaalsContact CD2-O 3.29Å; Y155-P311 WeakPolarHBondContact CD2-O 3.1Å; Y309-P311 HydrophobicContact CD1-CG 4.28Å; Y309-P311 HydrophobicContact CE1-CB 4.25Å; Y309-P311 HydrophobicContact CE1-CG 3.73Å; P311-R313 VanDerWaalsContact C-N 3.26Å; P311-R313 WeakPolarHBondContact CB-O 3.2Å; P311-R313 PolarHBondContact O-N 2.75Å; P311-L314 HydrophobicContact CB-CD2 3.99Å; P311-L314 HydrophobicContact CG-CD2 4Å; P311-F325 HydrophobicContact CB-CE1 4.24Å; P311-F325 HydrophobicContact CG-CD1 4.18Å; P311-F325 HydrophobicContact CG-CE1 3.36Å; P311-F325 HydrophobicContact CG-CZ 3.93Å; P311-L505 HydrophobicContact CB-CD1 4.15Å
312	A	88.4	Confident	90.5	Very high	81 Å²	81	40.1 Å²	40.1	67%	0.669	23%	0.227	S	C	*	.	S	Bend	trans	-66.1	-32	174.3	0	0	0	0	0	112.2
313	R	88.9	Confident	89.9	Confident	57 Å²	57	39.5 Å²	39.5	22%	0.215	22%	0.224	C	C	.	.			trans	-158.8	170.3	175.8	70.7	-151.1	126.3	43.2	3.3	108.9	P311 E501 G502	P311-R313 VanDerWaalsContact C-N 3.26Å; P311-R313 WeakPolarHBondContact CB-O 3.2Å; P311-R313 PolarHBondContact O-N 2.75Å; R313-E501 WeakPolarHBondContact CD-O 3.23Å; R313-E501 IonicContact CZ-OE1 3.36Å; R313-E501 VanDerWaalsContact NE-CB 3.34Å; R313-E501 PolarHBondContact NE-O 3.48Å; R313-E501 IonicContact NE-OE1 2.75Å; R313-E501 PolarHBondContact NH1-O 3.28Å; R313-E501 IonicContact NH2-OE1 3.53Å; R313-E501 PolarHBondContact NH2-OE1 2.73Å; R313-G502 PolarHBondContact NH1-O 2.95Å
314	L	89.4	Confident	88.9	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.047	21%	0.205	C	C	.	.			trans	-121.3	138.8	177.3	-68.3	178.3	0	0	0	110.8	E152 Y155 Y156 L188 P311 C318 F325	E152-L314 HydrophobicContact CB-CD1 4.36Å; E152-L314 HydrophobicContact CG-CD1 4.06Å; E152-L314 HydrophobicContact CG-CD2 4.23Å; Y155-L314 HydrophobicContact CD1-CD1 3.29Å; Y155-L314 HydrophobicContact CD1-CG 3.64Å; Y155-L314 HydrophobicContact CD2-CG 4.49Å; Y155-L314 HydrophobicContact CE1-CB 4.28Å; Y155-L314 HydrophobicContact CE1-CD1 3.75Å; Y155-L314 HydrophobicContact CE1-CG 3.85Å; Y155-L314 HydrophobicContact CG-CD1 3.93Å; Y155-L314 HydrophobicContact CG-CG 3.96Å; Y156-L314 HydrophobicContact CE1-CD1 4.33Å; Y156-L314 HydrophobicContact CE2-CD1 3.82Å; L188-L314 HydrophobicContact CD1-CB 3.91Å; P311-L314 HydrophobicContact CB-CD2 3.99Å; P311-L314 HydrophobicContact CG-CD2 4Å; L314-C318 HydrophobicContact CB-CB 4.36Å; L314-F325 HydrophobicContact CD2-CE1 4.29Å; L314-F325 HydrophobicContact CD2-CZ 4.1Å
315	P	86.9	Confident	87.7	Confident	4 Å²	4	38 Å²	38	3%	0.026	22%	0.215	C	C	.	.			trans	-70.4	154	174.6	29.2	-36.1	0	0	0	111.5	L188 T317 C318 L505 A506	L188-P315 WeakPolarHBondContact CD1-O 3.37Å; P315-T317 PolarHBondContact O-N 3.28Å; P315-C318 WeakPolarHBondContact O-CB 3.43Å; P315-C318 PolarHBondContact O-N 3.07Å; P315-C318 PolarHBondContact O-SG 3.2Å; P315-C318 VanDerWaalsContact O-SG 3.4Å; P315-L505 HydrophobicContact CG-CB 3.91Å; P315-A506 HydrophobicContact CB-CB 3.87Å; P315-A506 HydrophobicContact CG-CB 4.07Å
316	I	86.2	Confident	85.8	Confident	62 Å²	62	41.2 Å²	41.2	32%	0.318	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-56.3	-27.9	179.4	-66.8	169.5	0	0	0	112.1	C318 L319 I408	I316-C318 PolarHBondContact O-N 3.4Å; I316-C318 VanDerWaalsContact O-N 3.12Å; I316-L319 HydrophobicContact CG2-CD1 4.24Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.16Å; I316-I408 HydrophobicContact CG2-CG2 4.28Å
317	T	86.1	Confident	83.4	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.043	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.4	175	53.4	0	0	0	0	113.3	P315 L319 T320 I321 F409 A506 R507 L508	P315-T317 PolarHBondContact O-N 3.28Å; T317-L319 PolarHBondContact O-N 3.07Å; T317-L319 VanDerWaalsContact O-N 3.07Å; T317-T320 PolarHBondContact O-N 3.02Å; T317-T320 PolarHBondContact O-OG1 3.45Å; T317-I321 PolarHBondContact O-N 3.03Å; T317-F409 HydrophobicContact CG2-CE2 4.06Å; T317-F409 HydrophobicContact CG2-CZ 3.66Å; T317-A506 HydrophobicContact CG2-CB 3.98Å; T317-A506 WeakPolarHBondContact OG1-CA 3.37Å; T317-R507 WeakPolarHBondContact CB-O 3.44Å; T317-R507 PolarHBondContact OG1-N 2.84Å; T317-L508 HydrophobicContact CG2-CD2 3.86Å
318	C	90.1	Very high	80.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-56.3	-23.8	176.1	-69.9	0	0	0	0	113.2	R145 L188 L314 P315 I316 T320 I321 P323	R145-C318 PolarHBondContact NH1-O 2.92Å; L188-C318 HydrophobicContact CD1-CB 4.18Å; L314-C318 HydrophobicContact CB-CB 4.36Å; P315-C318 WeakPolarHBondContact O-CB 3.43Å; P315-C318 PolarHBondContact O-N 3.07Å; P315-C318 PolarHBondContact O-SG 3.2Å; P315-C318 VanDerWaalsContact O-SG 3.4Å; I316-C318 PolarHBondContact O-N 3.4Å; I316-C318 VanDerWaalsContact O-N 3.12Å; C318-T320 PolarHBondContact O-N 3.12Å; C318-T320 VanDerWaalsContact O-N 3.16Å; C318-I321 WeakPolarHBondContact CA-O 3.43Å; C318-P323 VanDerWaalsContact SG-CB 3.51Å; C318-P323 WeakPolarHBondContact SG-CG 3.5Å
319	L	88.3	Confident	78.3	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.052	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-66.2	-15.9	175.2	-64.3	176.7	0	0	0	113.7	R135 L141 L184 L188 I316 T317 I408	R135-L319 HydrophobicContact CB-CD1 4.43Å; R135-L319 HydrophobicContact CG-CD1 4.38Å; L141-L319 HydrophobicContact CD1-CD2 4.08Å; L184-L319 HydrophobicContact CD1-CD2 4.29Å; L188-L319 HydrophobicContact CD1-CG 4.49Å; L188-L319 HydrophobicContact CD2-CD1 4Å; L188-L319 HydrophobicContact CD2-CD2 3.63Å; L188-L319 HydrophobicContact CD2-CG 3.84Å; I316-L319 HydrophobicContact CG2-CD1 4.24Å; I316-L319 WeakPolarHBondContact O-CB 3.43Å; I316-L319 PolarHBondContact O-N 3.16Å; T317-L319 PolarHBondContact O-N 3.07Å; T317-L319 VanDerWaalsContact O-N 3.07Å; L319-I408 HydrophobicContact CB-CD1 3.26Å; L319-I408 HydrophobicContact CD1-CD1 3.73Å; L319-I408 HydrophobicContact CG-CD1 4.13Å
320	T	82.9	Confident	75.6	Confident	18 Å²	18	45.2 Å²	45.2	11%	0.11	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-28.1	-176.7	61	0	0	0	0	115	R145 T317 C318 I408 F409	R145-T320 WeakPolarHBondContact CD-O 3.23Å; T317-T320 PolarHBondContact O-N 3.02Å; T317-T320 PolarHBondContact O-OG1 3.45Å; C318-T320 PolarHBondContact O-N 3.12Å; C318-T320 VanDerWaalsContact O-N 3.16Å; T320-I408 HydrophobicContact CG2-CB 3.6Å; T320-I408 HydrophobicContact CG2-CD1 3.7Å; T320-I408 HydrophobicContact CG2-CG1 4Å; T320-I408 HydrophobicContact CG2-CG2 4.19Å; T320-F409 HydrophobicContact CG2-CD2 4.29Å
321	I	85.3	Confident	72.9	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.051	30%	0.3	C	S	.	.	S	Bend	trans	-135.4	138.7	-173.4	-63.3	172.9	0	0	0	109.3	R145 T317 C318 R507 L508 P509 N527	R145-I321 PolarHBondContact NH1-O 2.91Å; R145-I321 VanDerWaalsContact NH1-O 3.09Å; T317-I321 PolarHBondContact O-N 3.03Å; C318-I321 WeakPolarHBondContact CA-O 3.43Å; I321-R507 HydrophobicContact CG2-CB 4.03Å; I321-R507 HydrophobicContact CG2-CG 3.88Å; I321-L508 VanDerWaalsContact CD1-C 3.47Å; I321-P509 HydrophobicContact CD1-CB 3.66Å; I321-P509 HydrophobicContact CD1-CG 4.01Å; I321-N527 HydrophobicContact CD1-CB 4.25Å; I321-N527 HydrophobicContact CG1-CB 3.94Å
322	P	86.1	Confident	70.3	Confident	57 Å²	57	55.5 Å²	55.5	37%	0.37	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-54.8	123.2	171.1	-22.8	31.8	0	0	0	111.8	R145 T149	R145-P322 VanDerWaalsContact CZ-N 3.27Å; R145-P322 VanDerWaalsContact NH2-CA 3.26Å; T149-P322 HydrophobicContact CG2-CB 4.27Å
323	P	86.1	Confident	67.6	Low	9 Å²	9	57 Å²	57	6%	0.058	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64.2	165	175	28.5	-35	0	0	0	110.7	E152 C318 F325 L505	E152-P323 HydrophobicContact CG-CG 3.73Å; E152-P323 WeakPolarHBondContact OE1-CD 3.22Å; E152-P323 WeakPolarHBondContact OE2-CD 3.32Å; C318-P323 VanDerWaalsContact SG-CB 3.51Å; C318-P323 WeakPolarHBondContact SG-CG 3.5Å; P323-F325 HydrophobicContact CB-CE1 4.46Å; P323-F325 HydrophobicContact CB-CE2 4.26Å; P323-F325 HydrophobicContact CB-CZ 4.02Å; P323-F325 HydrophobicContact CG-CD2 4.42Å; P323-F325 HydrophobicContact CG-CE1 4.21Å; P323-F325 HydrophobicContact CG-CE2 3.44Å; P323-F325 VanDerWaalsContact CG-CE2 3.44Å; P323-F325 HydrophobicContact CG-CZ 3.33Å; P323-L505 HydrophobicContact CB-CB 4.36Å; P323-L505 WeakPolarHBondContact CB-O 3.45Å
324	R	75.3	Confident	65.1	Low	30 Å²	30	60.2 Å²	60.2	11%	0.113	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-99.4	126	171.8	-64.3	-170.5	-64.1	-104.8	-4.5	109.4	S326 Y445 E460 Y462 L505 A506 R507	R324-S326 VanDerWaalsContact C-N 3.32Å; R324-Y445 PolarHBondContact NH2-OH 2.82Å; R324-E460 IonicContact NH1-OE2 2.66Å; R324-Y462 VanDerWaalsContact CD-CE2 3.43Å; R324-Y462 WeakPolarHBondContact CD-OH 3.22Å; R324-Y462 VanDerWaalsContact CZ-CD1 3.41Å; R324-Y462 VanDerWaalsContact CZ-OH 3.24Å; R324-Y462 PolarHBondContact NE-OH 3.24Å; R324-Y462 PolarHBondContact NH1-OH 3.02Å; R324-L505 PolarHBondContact N-O 2.85Å; R324-L505 WeakPolarHBondContact O-CD2 3.46Å; R324-A506 PolarHBondContact NH2-O 2.97Å; R324-R507 HydrophobicContact CG-CB 4.49Å; R324-R507 VanDerWaalsContact NH1-CG 3.35Å
325	F	73.6	Confident	62.6	Low	50 Å²	50	63.7 Å²	63.7	22%	0.219	39%	0.387	C	S	.	.			trans	-102.7	23.4	170.1	-59.1	-65	0	0	0	111.7	T149 P151 E152 Y309 P311 L314 P323 I327 L505	T149-F325 HydrophobicContact CG2-CE2 4.44Å; T149-F325 VanDerWaalsContact OG1-CE2 3.23Å; T149-F325 WeakPolarHBondContact OG1-CE2 3.37Å; P151-F325 HydrophobicContact CB-CD1 4.09Å; P151-F325 HydrophobicContact CB-CD2 3.85Å; P151-F325 HydrophobicContact CB-CE1 3.89Å; P151-F325 HydrophobicContact CB-CE2 3.66Å; P151-F325 HydrophobicContact CB-CG 4.03Å; P151-F325 HydrophobicContact CB-CZ 3.66Å; P151-F325 HydrophobicContact CG-CB 4.46Å; P151-F325 HydrophobicContact CG-CD1 4.42Å; P151-F325 HydrophobicContact CG-CD2 3.57Å; P151-F325 HydrophobicContact CG-CE2 3.82Å; P151-F325 HydrophobicContact CG-CG 3.87Å; P151-F325 HydrophobicContact CG-CZ 4.32Å; E152-F325 HydrophobicContact CG-CE2 4.21Å; E152-F325 HydrophobicContact CG-CZ 3.97Å; Y309-F325 HydrophobicContact CD1-CB 4.47Å; Y309-F325 HydrophobicContact CD1-CD1 4Å; Y309-F325 HydrophobicContact CD1-CG 4.4Å; Y309-F325 AromaticContact CE1-CD1 3.52Å; Y309-F325 HydrophobicContact CE1-CD1 3.52Å; Y309-F325 HydrophobicContact CE1-CE1 4.07Å; Y309-F325 HydrophobicContact CE1-CG 4.31Å; P311-F325 HydrophobicContact CB-CE1 4.24Å; P311-F325 HydrophobicContact CG-CD1 4.18Å; P311-F325 HydrophobicContact CG-CE1 3.36Å; P311-F325 HydrophobicContact CG-CZ 3.93Å; L314-F325 HydrophobicContact CD2-CE1 4.29Å; L314-F325 HydrophobicContact CD2-CZ 4.1Å; P323-F325 HydrophobicContact CB-CE1 4.46Å; P323-F325 HydrophobicContact CB-CE2 4.26Å; P323-F325 HydrophobicContact CB-CZ 4.02Å; P323-F325 HydrophobicContact CG-CD2 4.42Å; P323-F325 HydrophobicContact CG-CE1 4.21Å; P323-F325 HydrophobicContact CG-CE2 3.44Å; P323-F325 VanDerWaalsContact CG-CE2 3.44Å; P323-F325 HydrophobicContact CG-CZ 3.33Å; F325-I327 PolarHBondContact O-N 3.16Å; F325-L505 HydrophobicContact CD1-CD1 4.4Å; F325-L505 HydrophobicContact CD1-CD2 3.84Å; F325-L505 HydrophobicContact CE1-CD1 3.96Å; F325-L505 HydrophobicContact CE1-CD2 4.2Å
326	S	58.7	Low	60	Low	80 Å²	80	70.4 Å²	70.4	56%	0.559	42%	0.423	S	S	*	.			trans	-57.8	122	166.9	-39.5	0	0	0	0	107.3	R324 A328	R324-S326 VanDerWaalsContact C-N 3.32Å; S326-A328 PolarHBondContact O-N 3.4Å
327	I	45.3	Very low	57.5	Low	153 Å²	153	79.1 Å²	79.1	79%	0.785	45%	0.452	S	S	*	.			trans	-51.9	106.9	166.4	-61.4	162	0	0	0	105.7	F325	F325-I327 PolarHBondContact O-N 3.16Å
328	A	36.2	Very low	55.1	Low	57 Å²	57	87.4 Å²	87.4	47%	0.471	49%	0.487	S	S	.	.			trans	-54.5	140.7	166.4	0	0	0	0	0	106.7	S326 S330	S326-A328 PolarHBondContact O-N 3.4Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.2Å
329	P	36.9	Very low	52.3	Low	128 Å²	128	91.8 Å²	91.8	83%	0.831	52%	0.516	S	S	*	.			trans	-60.2	100.9	-178.5	26.9	-33.3	0	0	0	107.9	S331	P329-S331 VanDerWaalsContact C-N 3.27Å; P329-S331 PolarHBondContact O-N 3.09Å
330	S	34.8	Very low	49.8	Very low	72 Å²	72	99.5 Å²	99.5	50%	0.503	56%	0.556	S	S	.	*			trans	-58.9	99.6	160.7	30.8	0	0	0	0	105.7	A328 L332	A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.2Å; S330-L332 WeakPolarHBondContact O-CB 3.48Å; S330-L332 PolarHBondContact O-N 2.7Å
331	S	36.2	Very low	47.6	Very low	121 Å²	121	104.5 Å²	104.5	85%	0.846	59%	0.587	S	S	*	*	S	Bend	trans	30.2	31.3	140.3	52	0	0	0	0	119.2	P329	P329-S331 VanDerWaalsContact C-N 3.27Å; P329-S331 PolarHBondContact O-N 3.09Å
332	L	35.3	Very low	45.1	Very low	151 Å²	151	109.1 Å²	109.1	79%	0.791	62%	0.615	S	S	*	*			trans	-111.5	109.9	176.9	-76	165.1	0	0	0	107.1	S330	S330-L332 WeakPolarHBondContact O-CB 3.48Å; S330-L332 PolarHBondContact O-N 2.7Å
333	D	32.3	Very low	42.6	Very low	112 Å²	112	113.8 Å²	113.8	60%	0.599	64%	0.636	S	S	*	*			trans	-30.2	124.5	173.1	-169.7	1.8	0	0	0	112.8	S335	D333-S335 PolarHBondContact O-N 3.36Å; D333-S335 PolarHBondContact OD1-N 2.75Å; D333-S335 PolarHBondContact OD1-OG 2.93Å; D333-S335 PolarHBondContact OD2-OG 2.85Å
334	P	36.2	Very low	40.2	Very low	125 Å²	125	121 Å²	121	81%	0.812	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-60.2	-10.9	179.1	-21.2	31.5	0	0	0	114.3	N336	P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.07Å
335	S	36	Very low	38.2	Very low	82 Å²	82	129.7 Å²	129.7	57%	0.573	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-71.4	-13.2	-173.8	66.7	0	0	0	0	115.1	D333	D333-S335 PolarHBondContact O-N 3.36Å; D333-S335 PolarHBondContact OD1-N 2.75Å; D333-S335 PolarHBondContact OD1-OG 2.93Å; D333-S335 PolarHBondContact OD2-OG 2.85Å
336	N	33.1	Very low	36.1	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-117.9	13.9	-168.5	-119.1	-2.1	0	0	0	116.8	P334 K338	P334-N336 VanDerWaalsContact C-N 3.29Å; P334-N336 PolarHBondContact O-N 3.07Å; N336-K338 PolarHBondContact O-N 3.38Å
337	R	33.5	Very low	34.7	Very low	244 Å²	244	135.4 Å²	135.4	92%	0.921	75%	0.754	S	S	*	*			trans	-89.1	103.1	168.9	-75.8	-172	177.9	178	1.2	110.9
338	K	35	Very low	34	Very low	181 Å²	181	136.7 Å²	136.7	79%	0.787	76%	0.757	S	S	*	*			trans	-79.1	138.2	158.4	-68.7	-178.3	-177.9	176.8	0	109.2	N336	N336-K338 PolarHBondContact O-N 3.38Å
339	P	32.2	Very low	33.7	Very low	92 Å²	92	141.4 Å²	141.4	60%	0.597	77%	0.774	S	S	*	*			trans	-59.4	145	176.9	-21.1	31.6	0	0	0	112	T341	P339-T341 PolarHBondContact O-N 3.42Å
340	L	34.1	Very low	33.9	Very low	173 Å²	173	140.1 Å²	140.1	91%	0.906	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	27.5	-179.3	-142.4	90.8	0	0	0	114.1
341	T	37.2	Very low	33.5	Very low	123 Å²	123	144.4 Å²	144.4	76%	0.755	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	0.8	178.7	48.3	0	0	0	0	113.2	P339	P339-T341 PolarHBondContact O-N 3.42Å
342	V	33.5	Very low	33.3	Very low	106 Å²	106	144.2 Å²	144.2	64%	0.642	78%	0.778	S	S	*	*	S	Bend	trans	-109.3	5.8	-172.6	-171.4	0	0	0	0	113.9
343	L	32.6	Very low	33.4	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	79%	0.785	S	S	*	*	S	Bend	trans	-90.6	4.8	179.6	-99.4	157	0	0	0	115.8
344	N	36.4	Very low	33.1	Very low	161 Å²	161	152.4 Å²	152.4	86%	0.861	80%	0.799	S	S	*	*			trans	-126	73.9	172.1	-77.6	-11.1	0	0	0	111
345	K	33.3	Very low	32.8	Very low	212 Å²	212	153.3 Å²	153.3	92%	0.922	80%	0.802	S	S	*	*			trans	-135.4	103.8	155.5	-85.7	-166.8	176.4	-175.8	0	109.1
346	G	29.4	Very low	32.4	Very low	67 Å²	67	161.1 Å²	161.1	69%	0.691	82%	0.819	S	S	*	*			trans	176.5	79	172.7	0	0	0	0	0	110.2
347	L	30.4	Very low	32	Very low	182 Å²	182	162.9 Å²	162.9	95%	0.953	82%	0.823	S	S	*	*			trans	155.9	124.7	141	-82.3	153.1	0	0	0	110.4
348	E	30.5	Very low	31.7	Very low	181 Å²	181	161 Å²	161	85%	0.846	82%	0.821	S	S	*	*			trans	-77.9	140.9	-176.5	-61.7	173.2	141.2	0	0	112.4
349	N	29.5	Very low	31.3	Very low	156 Å²	156	161.5 Å²	161.5	83%	0.834	83%	0.826	S	S	*	*				176.9	157.3	119.4	-96.7	-20.6	0	0	0	112.7
350	P	39.7	Very low	30.9	Very low	100 Å²	100	165.1 Å²	165.1	65%	0.649	84%	0.835	S	S	*	*			trans	-107.1	165	-158.2	39.2	-30.9	0	0	0	116
351	L	27.5	Very low	30.6	Very low	162 Å²	162	162.7 Å²	162.7	85%	0.848	83%	0.83	S	S	*	*			trans	99.5	154.8	160.6	-58.4	150	0	0	0	118.2
352	P	31.8	Very low	30.1	Very low	118 Å²	118	163.6 Å²	163.6	77%	0.766	84%	0.835	S	S	*	*			cis	-125.7	173.9	-39.8	35	-18.2	0	0	0	113
353	E	36.4	Very low	29.8	Very low	197 Å²	197	161.4 Å²	161.4	92%	0.921	83%	0.833	S	S	*	*			trans	-46	129	-174.4	-68.6	170.3	135.5	0	0	116.5
354	R	27.6	Very low	29.6	Very low	238 Å²	238	165.3 Å²	165.3	90%	0.898	84%	0.837	S	S	*	*			trans	-136.3	127.6	150.6	-100.6	-179.9	172.9	-179.4	-2.6	110	R356	R354-R356 PolarHBondContact O-N 2.86Å
355	T	29.9	Very low	29.1	Very low	143 Å²	143	166.7 Å²	166.7	88%	0.877	84%	0.838	S	S	*	*			trans	-30.9	117.2	177.5	32.6	0	0	0	0	114.8
356	R	25.9	Very low	28.9	Very low	246 Å²	246	163 Å²	163	93%	0.928	83%	0.834	S	S	*	*			trans	-84.8	113.8	164.3	-81.8	-178.5	172.6	176.7	-2.6	109.3	R354	R354-R356 PolarHBondContact O-N 2.86Å
357	E	25.8	Very low	29	Very low	183 Å²	183	162.6 Å²	162.6	86%	0.855	83%	0.83	S	S	*	*			trans	-60.5	137.9	158.5	-68.2	176.8	161.7	0	0	108.9	E359	E357-E359 PolarHBondContact O-N 2.94Å
358	K	26.7	Very low	29.3	Very low	205 Å²	205	161.1 Å²	161.1	89%	0.891	82%	0.818	S	S	*	*			trans	-65.4	101.4	175	-93.2	176.5	166.2	-178.8	0	109
359	E	26.3	Very low	29.9	Very low	191 Å²	191	158.2 Å²	158.2	89%	0.893	81%	0.812	S	S	*	*			trans	-84.8	114.5	155.6	-77.3	-172.8	158.7	0	0	108.5	E357	E357-E359 PolarHBondContact O-N 2.94Å
360	E	24.9	Very low	30.6	Very low	167 Å²	167	156.3 Å²	156.3	78%	0.78	81%	0.806	S	S	*	*			trans	-66.8	144.3	171.8	-67.5	-140.4	145.8	0	0	111	V362	E360-V362 PolarHBondContact O-N 2.99Å; E360-V362 VanDerWaalsContact O-N 3.11Å
361	P	27.3	Very low	31.4	Very low	123 Å²	123	153 Å²	153	80%	0.799	78%	0.783	S	S	*	*			trans	-69.2	113.4	175.3	28.8	-30.9	0	0	0	109.1	G363	P361-G363 PolarHBondContact O-N 2.76Å
362	V	27.1	Very low	32.9	Very low	142 Å²	142	148.1 Å²	148.1	86%	0.861	76%	0.761	S	S	*	*			trans	-54.9	105.4	169.9	177.8	0	0	0	0	108.5	E360 R364	E360-V362 PolarHBondContact O-N 2.99Å; E360-V362 VanDerWaalsContact O-N 3.11Å; V362-R364 PolarHBondContact O-N 3.16Å
363	G	26.1	Very low	35.2	Very low	59 Å²	59	144.6 Å²	144.6	61%	0.608	74%	0.735	S	S	*	*			trans	-56.5	125.4	175.2	0	0	0	0	0	110.1	P361 E365	P361-G363 PolarHBondContact O-N 2.76Å; G363-E365 VanDerWaalsContact C-N 3.27Å; G363-E365 PolarHBondContact O-N 2.96Å
364	R	28.5	Very low	37.7	Very low	238 Å²	238	135.6 Å²	135.6	90%	0.898	69%	0.693	S	S	*	*			trans	-67	94.3	160.8	-77.6	178.4	175.7	174.7	-1.5	107.1	V362 T366	V362-R364 PolarHBondContact O-N 3.16Å; R364-T366 PolarHBondContact O-N 3.19Å
365	E	26.5	Very low	40.7	Very low	190 Å²	190	127.4 Å²	127.4	89%	0.888	67%	0.672	S	S	*	*			trans	-63.7	88.8	163.3	-69.9	-175	163.9	0	0	108.4	G363 G367	G363-E365 VanDerWaalsContact C-N 3.27Å; G363-E365 PolarHBondContact O-N 2.96Å; E365-G367 PolarHBondContact O-N 3.3Å
366	T	29.5	Very low	43.5	Very low	135 Å²	135	123.8 Å²	123.8	83%	0.828	65%	0.647	S	S	*	*			trans	-68.4	85.7	154	45.3	0	0	0	0	106.4	R364 E368	R364-T366 PolarHBondContact O-N 3.19Å; T366-E368 PolarHBondContact O-N 2.8Å; T366-E368 VanDerWaalsContact O-N 3.12Å
367	G	30.5	Very low	46.7	Very low	58 Å²	58	112.1 Å²	112.1	60%	0.598	60%	0.604	S	S	*	*			trans	-50.6	118.5	-179.1	0	0	0	0	0	110.8	E365 V369	E365-G367 PolarHBondContact O-N 3.3Å; G367-V369 PolarHBondContact O-N 3.43Å
368	E	37.8	Very low	50	Low	151 Å²	151	105.1 Å²	105.1	71%	0.706	57%	0.572	S	S	*	*			trans	-49.1	115.3	155.5	-74.4	-172.6	144.4	0	0	106.4	T366 V370	T366-E368 PolarHBondContact O-N 2.8Å; T366-E368 VanDerWaalsContact O-N 3.12Å; E368-V370 PolarHBondContact O-N 3.38Å
369	V	42.1	Very low	53.2	Low	121 Å²	121	102 Å²	102	73%	0.733	56%	0.56	S	S	*	*			trans	-60.4	98	168.6	179.1	0	0	0	0	105.8	G367 D371	G367-V369 PolarHBondContact O-N 3.43Å; V369-D371 PolarHBondContact O-N 2.67Å
370	V	45.3	Very low	56.4	Low	115 Å²	115	95.1 Å²	95.1	70%	0.697	53%	0.528	S	S	*	.			trans	-46	125.6	179.9	175.4	0	0	0	0	107.8	E368 C372	E368-V370 PolarHBondContact O-N 3.38Å; V370-C372 PolarHBondContact O-N 3.27Å; V370-C372 PolarHBondContact O-SG 3.06Å
371	D	56.7	Low	59.8	Low	30 Å²	30	87.1 Å²	87.1	16%	0.16	49%	0.491	C	S	.	.			trans	-61.7	60.5	177.2	-72.7	-108.1	0	0	0	113.1	V369 H373 R512 H524 R594	V369-D371 PolarHBondContact O-N 2.67Å; D371-H373 PolarHBondContact O-N 3.37Å; D371-H373 VanDerWaalsContact O-N 3.17Å; D371-R512 IonicContact OD1-CZ 2.76Å; D371-R512 IonicContact OD1-NE 3.01Å; D371-R512 IonicContact OD1-NH1 2.81Å; D371-R512 PolarHBondContact OD1-NH1 3.42Å; D371-R512 IonicContact OD2-NH1 3.98Å; D371-R512 PolarHBondContact OD2-NH1 2.88Å; D371-H524 IonicContact OD1-CE1 3.73Å; D371-R594 VanDerWaalsContact CB-NH1 3.26Å; D371-R594 IonicContact OD1-NH1 3.2Å; D371-R594 PolarHBondContact OD1-NH1 3.43Å; D371-R594 IonicContact OD2-CZ 3.24Å; D371-R594 IonicContact OD2-NH1 3.13Å; D371-R594 PolarHBondContact OD2-NH1 3.4Å; D371-R594 IonicContact OD2-NH2 2.96Å; D371-R594 PolarHBondContact OD2-NH2 3.08Å
372	C	58.1	Low	63.1	Low	60 Å²	60	85.7 Å²	85.7	41%	0.405	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.3	179.3	53.6	0	0	0	0	112.7	V370 D376	V370-C372 PolarHBondContact O-N 3.27Å; V370-C372 PolarHBondContact O-SG 3.06Å; C372-D376 PolarHBondContact O-N 3.3Å
373	H	80.5	Confident	66.4	Low	45 Å²	45	81.4 Å²	81.4	21%	0.208	45%	0.45	C	S	.	.	H	α-helix	trans	-78.9	-24.4	-170.9	-56.8	-36.8	0	0	0	115.5	D371 M377 P545 L546	D371-H373 PolarHBondContact O-N 3.37Å; D371-H373 VanDerWaalsContact O-N 3.17Å; H373-M377 VanDerWaalsContact O-CB 3.27Å; H373-M377 WeakPolarHBondContact O-CB 3.43Å; H373-M377 PolarHBondContact O-N 2.98Å; H373-P545 HydrophobicContact CB-CB 4.07Å; H373-P545 HydrophobicContact CB-CG 3.66Å; H373-L546 VanDerWaalsContact CE1-CD2 3.46Å; H373-L546 WeakPolarHBondContact CE1-CD2 3.3Å
374	L	89.3	Confident	69.7	Low	7 Å²	7	78.6 Å²	78.6	4%	0.037	42%	0.421	C	S	.	.	H	α-helix	trans	-70.8	-38	178.5	-74.1	177.8	0	0	0	111.6	M377 L378 V530 V587 L590 L591	L374-M377 WeakPolarHBondContact O-CB 3.33Å; L374-M377 PolarHBondContact O-N 2.88Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 3.08Å; L374-V530 HydrophobicContact CD2-CG2 3.76Å; L374-V587 HydrophobicContact CD2-CG1 4.34Å; L374-L590 HydrophobicContact CD1-CB 4.17Å; L374-L590 HydrophobicContact CD2-CD1 4.24Å; L374-L591 HydrophobicContact CB-CD1 4.35Å; L374-L591 HydrophobicContact CB-CD2 3.54Å; L374-L591 HydrophobicContact CB-CG 3.87Å; L374-L591 HydrophobicContact CD1-CD2 4.27Å
375	S	89.3	Confident	72.9	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-45.9	174.5	-59.4	0	0	0	0	111.1	M377 L378 Q379	S375-M377 VanDerWaalsContact C-N 3.34Å; S375-M377 PolarHBondContact O-N 3.06Å; S375-L378 PolarHBondContact O-N 2.87Å; S375-Q379 PolarHBondContact O-N 3.43Å
376	D	89.7	Confident	76.2	Confident	66 Å²	66	62.4 Å²	62.4	35%	0.353	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-45.5	174.2	-64.7	-20.1	0	0	0	111.2	C372 L378 Q379 Q380	C372-D376 PolarHBondContact O-N 3.3Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.39Å; D376-Q379 PolarHBondContact O-N 3.42Å; D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 3.45Å
377	M	93.1	Very high	79.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-44	176.6	-168.3	-179.3	-68.1	0	0	111.7	H373 L374 S375 Q379 Q380 L381 G528 V530 L543 P545 V587	H373-M377 VanDerWaalsContact O-CB 3.27Å; H373-M377 WeakPolarHBondContact O-CB 3.43Å; H373-M377 PolarHBondContact O-N 2.98Å; L374-M377 WeakPolarHBondContact O-CB 3.33Å; L374-M377 PolarHBondContact O-N 2.88Å; S375-M377 VanDerWaalsContact C-N 3.34Å; S375-M377 PolarHBondContact O-N 3.06Å; M377-Q379 VanDerWaalsContact C-N 3.34Å; M377-Q380 PolarHBondContact O-N 3.1Å; M377-L381 HydrophobicContact CG-CD1 4.05Å; M377-L381 WeakPolarHBondContact O-CB 3.44Å; M377-L381 VanDerWaalsContact O-CG 3.3Å; M377-L381 WeakPolarHBondContact O-CG 3.41Å; M377-L381 PolarHBondContact O-N 3.39Å; M377-G528 WeakPolarHBondContact CE-O 3.41Å; M377-V530 HydrophobicContact CE-CB 4.13Å; M377-V530 HydrophobicContact CE-CG2 3.82Å; M377-V530 HydrophobicContact SD-CB 3.95Å; M377-V530 HydrophobicContact SD-CG2 3.79Å; M377-L543 HydrophobicContact CE-CB 3.84Å; M377-L543 HydrophobicContact CG-CB 4.48Å; M377-L543 HydrophobicContact CG-CD1 4.38Å; M377-L543 HydrophobicContact SD-CB 3.71Å; M377-L543 HydrophobicContact SD-CD1 3.66Å; M377-L543 HydrophobicContact SD-CG 4.32Å; M377-P545 HydrophobicContact CB-CB 4.04Å; M377-P545 HydrophobicContact CE-CB 3.76Å; M377-P545 VanDerWaalsContact CE-CD 3.48Å; M377-P545 HydrophobicContact CE-CG 3.6Å; M377-V587 HydrophobicContact CB-CG1 4.27Å; M377-V587 HydrophobicContact CG-CG1 4.37Å; M377-V587 HydrophobicContact CG-CG2 4.24Å; M377-V587 HydrophobicContact SD-CG1 4.27Å; M377-V587 HydrophobicContact SD-CG2 3.56Å; M377-V587 VanDerWaalsContact SD-CG2 3.56Å
378	L	94.4	Very high	82.4	Confident	35 Å²	35	60.5 Å²	60.5	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-42.9	178.8	-176.3	62.9	0	0	0	110.9	L374 S375 D376 L381 H382 R584 V587 D588 L591	L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 3.08Å; S375-L378 PolarHBondContact O-N 2.87Å; D376-L378 VanDerWaalsContact C-N 3.32Å; D376-L378 PolarHBondContact O-N 3.39Å; L378-L381 PolarHBondContact O-N 3.09Å; L378-H382 WeakPolarHBondContact O-CB 3.42Å; L378-H382 PolarHBondContact O-N 2.97Å; L378-R584 HydrophobicContact CD1-CG 3.71Å; L378-V587 HydrophobicContact CB-CG1 3.99Å; L378-V587 HydrophobicContact CD1-CG1 4.42Å; L378-D588 HydrophobicContact CD1-CB 4.03Å; L378-D588 HydrophobicContact CD2-CB 4.43Å; L378-L591 HydrophobicContact CB-CD1 4.11Å; L378-L591 HydrophobicContact CD2-CD1 3.71Å
379	Q	93.8	Very high	85	Confident	140 Å²	140	53.4 Å²	53.4	65%	0.654	30%	0.303	S	S	*	.	H	α-helix	trans	-63.8	-45.1	176.5	-173.6	179.5	4.9	0	0	111.7	S375 D376 M377 H382 S383	S375-Q379 PolarHBondContact O-N 3.43Å; D376-Q379 PolarHBondContact O-N 3.42Å; M377-Q379 VanDerWaalsContact C-N 3.34Å; Q379-H382 WeakPolarHBondContact O-CB 3.5Å; Q379-H382 PolarHBondContact O-N 2.89Å; Q379-S383 PolarHBondContact O-N 2.84Å
380	Q	95	Very high	87.5	Confident	46 Å²	46	48.8 Å²	48.8	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-47.3	176.3	-68.8	167.4	9	0	0	111.4	D376 M377 H382 S383 V384 P545 A548 L564	D376-Q380 WeakPolarHBondContact O-CG 3.48Å; D376-Q380 PolarHBondContact O-N 3.45Å; M377-Q380 PolarHBondContact O-N 3.1Å; Q380-H382 VanDerWaalsContact C-N 3.28Å; Q380-H382 PolarHBondContact O-N 3.14Å; Q380-S383 WeakPolarHBondContact O-CB 3.39Å; Q380-S383 PolarHBondContact O-N 3.17Å; Q380-V384 VanDerWaalsContact O-CG2 3.3Å; Q380-V384 WeakPolarHBondContact O-CG2 3.49Å; Q380-V384 PolarHBondContact O-N 2.95Å; Q380-V384 VanDerWaalsContact O-N 3.09Å; Q380-P545 PolarHBondContact NE2-O 2.91Å; Q380-P545 PolarHBondContact OE1-O 3.33Å; Q380-A548 HydrophobicContact CG-CB 4.49Å; Q380-L564 HydrophobicContact CB-CD1 3.71Å
381	L	96.3	Very high	89.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-32.4	176.1	-72.1	170.6	0	0	0	112.4	M377 L378 N385 L543 L580 A583 R584 V587	M377-L381 HydrophobicContact CG-CD1 4.05Å; M377-L381 WeakPolarHBondContact O-CB 3.44Å; M377-L381 VanDerWaalsContact O-CG 3.3Å; M377-L381 WeakPolarHBondContact O-CG 3.41Å; M377-L381 PolarHBondContact O-N 3.39Å; L378-L381 PolarHBondContact O-N 3.09Å; L381-N385 VanDerWaalsContact O-CB 3.26Å; L381-N385 WeakPolarHBondContact O-CB 3.31Å; L381-N385 VanDerWaalsContact O-CG 3.22Å; L381-N385 PolarHBondContact O-N 3.23Å; L381-N385 PolarHBondContact O-ND2 2.74Å; L381-L543 HydrophobicContact CD1-CD1 3.93Å; L381-L543 HydrophobicContact CD2-CD2 4.03Å; L381-L580 HydrophobicContact CD2-CD2 3.81Å; L381-A583 HydrophobicContact CD1-CB 4.44Å; L381-R584 HydrophobicContact CB-CB 4.03Å; L381-R584 HydrophobicContact CB-CG 4.24Å; L381-R584 HydrophobicContact CD1-CB 4.42Å; L381-V587 HydrophobicContact CD1-CB 4.4Å; L381-V587 HydrophobicContact CD1-CG2 3.88Å
382	H	96.1	Very high	91.1	Very high	92 Å²	92	53.5 Å²	53.5	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-50.6	173.8	-173.9	108.9	0	0	0	110.7	L378 Q379 Q380 V384 N385 A386 R584	L378-H382 WeakPolarHBondContact O-CB 3.42Å; L378-H382 PolarHBondContact O-N 2.97Å; Q379-H382 WeakPolarHBondContact O-CB 3.5Å; Q379-H382 PolarHBondContact O-N 2.89Å; Q380-H382 VanDerWaalsContact C-N 3.28Å; Q380-H382 PolarHBondContact O-N 3.14Å; H382-V384 PolarHBondContact O-N 2.87Å; H382-N385 PolarHBondContact O-N 2.84Å; H382-A386 VanDerWaalsContact O-CB 3.29Å; H382-A386 WeakPolarHBondContact O-CB 3.48Å; H382-A386 PolarHBondContact O-N 3.25Å; H382-R584 PolarHBondContact CE1-NH1 3.31Å; H382-R584 PolarHBondContact ND1-NH1 2.95Å; H382-R584 PolarHBondContact ND1-NH2 3.43Å; H382-R584 VanDerWaalsContact ND1-NH2 3.16Å
383	S	96.1	Very high	92.2	Very high	52 Å²	52	55 Å²	55	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-54.2	-52.1	178	-171.5	0	0	0	0	111.9	Q379 Q380 N385 A386 S387 E568	Q379-S383 PolarHBondContact O-N 2.84Å; Q380-S383 WeakPolarHBondContact O-CB 3.39Å; Q380-S383 PolarHBondContact O-N 3.17Å; S383-N385 PolarHBondContact O-N 2.98Å; S383-A386 PolarHBondContact O-N 3Å; S383-S387 PolarHBondContact O-N 3.49Å; S383-E568 VanDerWaalsContact C-OE1 3.28Å; S383-E568 WeakPolarHBondContact CB-OE1 3.47Å; S383-E568 VanDerWaalsContact OG-CD 3.3Å; S383-E568 PolarHBondContact OG-OE1 3.1Å; S383-E568 PolarHBondContact OG-OE2 3.47Å
384	V	95.6	Very high	92.5	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-46.6	-178.3	179.6	0	0	0	0	111.3	Q380 H382 A386 S387 P389 L564 L567 E568 L580	Q380-V384 VanDerWaalsContact O-CG2 3.3Å; Q380-V384 WeakPolarHBondContact O-CG2 3.49Å; Q380-V384 PolarHBondContact O-N 2.95Å; Q380-V384 VanDerWaalsContact O-N 3.09Å; H382-V384 PolarHBondContact O-N 2.87Å; V384-A386 VanDerWaalsContact C-N 3.31Å; V384-A386 PolarHBondContact O-N 3.4Å; V384-S387 WeakPolarHBondContact O-CB 3.38Å; V384-S387 PolarHBondContact O-N 3.3Å; V384-S387 PolarHBondContact O-OG 3.06Å; V384-P389 HydrophobicContact CG1-CG 4.27Å; V384-P389 VanDerWaalsContact O-CD 3.25Å; V384-P389 WeakPolarHBondContact O-CD 3.46Å; V384-L564 HydrophobicContact CG2-CB 3.51Å; V384-L564 HydrophobicContact CG2-CD1 4.4Å; V384-L564 HydrophobicContact CG2-CD2 4Å; V384-L564 HydrophobicContact CG2-CG 4.13Å; V384-L567 HydrophobicContact CG1-CB 4.45Å; V384-E568 HydrophobicContact CB-CG 4.21Å; V384-E568 HydrophobicContact CG1-CG 4.5Å; V384-E568 HydrophobicContact CG2-CG 3.89Å; V384-E568 WeakPolarHBondContact CG2-OE1 3.41Å; V384-E568 PolarHBondContact N-OE1 3.22Å; V384-E568 VanDerWaalsContact N-OE1 3.14Å; V384-L580 HydrophobicContact CG1-CD1 4.06Å
385	N	95.9	Very high	92.5	Very high	22 Å²	22	61.4 Å²	61.4	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-36	179.5	-74.7	-44.5	0	0	0	112.1	L381 H382 S383 S387 K388 L580 R581	L381-N385 VanDerWaalsContact O-CB 3.26Å; L381-N385 WeakPolarHBondContact O-CB 3.31Å; L381-N385 VanDerWaalsContact O-CG 3.22Å; L381-N385 PolarHBondContact O-N 3.23Å; L381-N385 PolarHBondContact O-ND2 2.74Å; H382-N385 PolarHBondContact O-N 2.84Å; S383-N385 PolarHBondContact O-N 2.98Å; N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 3.08Å; N385-K388 PolarHBondContact O-N 3.39Å; N385-L580 PolarHBondContact ND2-O 3.31Å; N385-R581 HydrophobicContact CB-CG 4.42Å; N385-R581 VanDerWaalsContact OD1-CG 3.28Å; N385-R581 WeakPolarHBondContact OD1-CG 3.43Å; N385-R581 PolarHBondContact OD1-N 3.04Å
386	A	96.1	Very high	92.3	Very high	66 Å²	66	64.2 Å²	64.2	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-29.9	176.8	0	0	0	0	0	112.6	H382 S383 V384 K388	H382-A386 VanDerWaalsContact O-CB 3.29Å; H382-A386 WeakPolarHBondContact O-CB 3.48Å; H382-A386 PolarHBondContact O-N 3.25Å; S383-A386 PolarHBondContact O-N 3Å; V384-A386 VanDerWaalsContact C-N 3.31Å; V384-A386 PolarHBondContact O-N 3.4Å; A386-K388 PolarHBondContact O-N 2.94Å
387	S	95.2	Very high	92.3	Very high	37 Å²	37	62.7 Å²	62.7	26%	0.259	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-9.2	174.7	79.7	0	0	0	0	114.5	S383 V384 N385	S383-S387 PolarHBondContact O-N 3.49Å; V384-S387 WeakPolarHBondContact O-CB 3.38Å; V384-S387 PolarHBondContact O-N 3.3Å; V384-S387 PolarHBondContact O-OG 3.06Å; N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 3.08Å
388	K	94.9	Very high	91.9	Very high	117 Å²	117	69.7 Å²	69.7	51%	0.509	37%	0.371	S	S	.	.			trans	48.2	61.3	-177.7	-58.9	-179.3	171	-165.5	0	112.7	N385 A386 S390 E391	N385-K388 PolarHBondContact O-N 3.39Å; A386-K388 PolarHBondContact O-N 2.94Å; K388-S390 PolarHBondContact O-N 3.05Å; K388-E391 HydrophobicContact CB-CB 4.22Å; K388-E391 HydrophobicContact CB-CG 4.41Å; K388-E391 WeakPolarHBondContact CD-OE2 3.38Å; K388-E391 IonicContact NZ-OE2 3.58Å; K388-E391 PolarHBondContact O-N 2.87Å
389	P	92.3	Very high	91.5	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.013	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-64.7	-21.4	-166.6	26.8	-36.2	0	0	0	113.5	V384 L567 G571 C572 A577	V384-P389 HydrophobicContact CG1-CG 4.27Å; V384-P389 VanDerWaalsContact O-CD 3.25Å; V384-P389 WeakPolarHBondContact O-CD 3.46Å; P389-L567 WeakPolarHBondContact CB-O 3.43Å; P389-G571 CarbonylContact O-C 3.5Å; P389-G571 WeakPolarHBondContact O-CA 3.46Å; P389-C572 PolarHBondContact O-N 2.63Å; P389-A577 HydrophobicContact CG-CB 4.32Å
390	S	93.7	Very high	91.2	Very high	24 Å²	24	66.8 Å²	66.8	17%	0.168	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-84.6	-6.9	176.2	58.7	0	0	0	0	115.4	K388 C572	K388-S390 PolarHBondContact O-N 3.05Å; S390-C572 VanDerWaalsContact CA-O 3.3Å; S390-C572 WeakPolarHBondContact CA-O 3.15Å
391	E	92.6	Very high	90.8	Very high	133 Å²	133	67.8 Å²	67.8	62%	0.621	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-102.5	6.5	-179.6	-66.6	175.5	-145.6	0	0	112.3	K388	K388-E391 HydrophobicContact CB-CB 4.22Å; K388-E391 HydrophobicContact CB-CG 4.41Å; K388-E391 WeakPolarHBondContact CD-OE2 3.38Å; K388-E391 IonicContact NZ-OE2 3.58Å; K388-E391 PolarHBondContact O-N 2.87Å
392	R	85.9	Confident	90.1	Very high	110 Å²	110	68.9 Å²	68.9	42%	0.415	37%	0.367	S	S	.	.			trans	-67.7	139.9	177.2	-68.7	-154.1	170.1	-125.1	-11.5	111.1	L394 V395 E568 E569	R392-L394 PolarHBondContact O-N 2.85Å; R392-V395 HydrophobicContact CB-CG2 4.4Å; R392-E568 PolarHBondContact NE-O 2.75Å; R392-E568 PolarHBondContact NH2-O 2.96Å; R392-E569 PolarHBondContact NE-O 3.05Å; R392-E569 PolarHBondContact NH1-O 3.22Å
393	G	80.6	Confident	89.1	Confident	93 Å²	93	66.1 Å²	66.1	96%	0.959	36%	0.357	S	S	*	.	S	Bend	trans	-61.2	-28.4	-179.6	0	0	0	0	0	114.1
394	L	86.7	Confident	88	Confident	127 Å²	127	64 Å²	64	67%	0.665	34%	0.344	S	S	*	.	S	Bend	trans	-135.7	118.3	169.6	-178.9	66.1	0	0	0	109.2	R392 R396	R392-L394 PolarHBondContact O-N 2.85Å; L394-R396 HydrophobicContact CD2-CG 4.31Å; L394-R396 HydrophobicContact CG-CG 4.2Å
395	V	88.6	Confident	87.4	Confident	58 Å²	58	64 Å²	64	35%	0.352	34%	0.344	S	S	.	.			trans	-95.4	122	177	172.6	0	0	0	0	109.4	R392 Q397 Y570	R392-V395 HydrophobicContact CB-CG2 4.4Å; V395-Q397 HydrophobicContact CG1-CB 4.25Å; V395-Y570 WeakPolarHBondContact CA-O 3.27Å
396	R	86.3	Confident	86.8	Confident	126 Å²	126	65.6 Å²	65.6	48%	0.475	35%	0.351	S	S	.	.			trans	-121.9	62	175.8	-66.7	-176.5	-68.9	171.6	-1	110.2	L394 E398 E399 Y570	L394-R396 HydrophobicContact CD2-CG 4.31Å; L394-R396 HydrophobicContact CG-CG 4.2Å; R396-E398 PolarHBondContact O-N 2.66Å; R396-E398 VanDerWaalsContact O-N 3.13Å; R396-E399 HydrophobicContact CB-CB 4.38Å; R396-E399 HydrophobicContact CB-CG 3.95Å; R396-E399 WeakPolarHBondContact O-CB 3.46Å; R396-E399 PolarHBondContact O-N 2.74Å; R396-Y570 PolarHBondContact N-O 2.74Å; R396-Y570 WeakPolarHBondContact O-CB 3.15Å
397	Q	88.7	Confident	86.2	Confident	34 Å²	34	62.7 Å²	62.7	16%	0.159	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31.1	-174.4	178	168.6	-48.6	0	0	113.3	V395 E399 A400 Y562	V395-Q397 HydrophobicContact CG1-CB 4.25Å; Q397-E399 VanDerWaalsContact C-N 3.28Å; Q397-E399 PolarHBondContact O-N 3.04Å; Q397-A400 WeakPolarHBondContact O-CB 3.38Å; Q397-A400 PolarHBondContact O-N 3.14Å; Q397-Y562 HydrophobicContact CG-CD1 4.13Å; Q397-Y562 HydrophobicContact CG-CE1 3.4Å; Q397-Y562 VanDerWaalsContact CG-CE1 3.4Å; Q397-Y562 VanDerWaalsContact NE2-CZ 3.33Å; Q397-Y562 PolarHBondContact NE2-OH 2.9Å; Q397-Y562 WeakPolarHBondContact O-CE1 3.3Å
398	E	85.1	Confident	85.6	Confident	150 Å²	150	62.6 Å²	62.6	70%	0.701	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.6	-33.5	177.8	-59	179.8	-178.4	0	0	112.6	R396 A400 E401	R396-E398 PolarHBondContact O-N 2.66Å; R396-E398 VanDerWaalsContact O-N 3.13Å; E398-A400 PolarHBondContact O-N 3.27Å; E398-E401 WeakPolarHBondContact O-CB 3.26Å; E398-E401 PolarHBondContact O-N 2.84Å; E398-E401 VanDerWaalsContact O-N 3.12Å
399	E	85.4	Confident	85.1	Confident	114 Å²	114	57.6 Å²	57.6	53%	0.533	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-69.3	-16.8	175.7	-62.9	-70	169.8	0	0	112.2	R396 Q397 Y570	R396-E399 HydrophobicContact CB-CB 4.38Å; R396-E399 HydrophobicContact CB-CG 3.95Å; R396-E399 WeakPolarHBondContact O-CB 3.46Å; R396-E399 PolarHBondContact O-N 2.74Å; Q397-E399 VanDerWaalsContact C-N 3.28Å; Q397-E399 PolarHBondContact O-N 3.04Å; E399-Y570 HydrophobicContact CB-CD1 4.22Å; E399-Y570 HydrophobicContact CB-CD2 3.67Å; E399-Y570 HydrophobicContact CB-CE1 4.48Å; E399-Y570 HydrophobicContact CB-CE2 3.94Å; E399-Y570 HydrophobicContact CB-CG 3.84Å
400	A	87.6	Confident	85	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-89.1	-7	175.1	0	0	0	0	0	113.5	Q397 E398 D402 Y562 R563 L566 L567	Q397-A400 WeakPolarHBondContact O-CB 3.38Å; Q397-A400 PolarHBondContact O-N 3.14Å; E398-A400 PolarHBondContact O-N 3.27Å; A400-D402 PolarHBondContact O-N 2.8Å; A400-Y562 HydrophobicContact CB-CD1 4.08Å; A400-Y562 VanDerWaalsContact O-CA 3.28Å; A400-Y562 WeakPolarHBondContact O-CA 3.27Å; A400-R563 PolarHBondContact O-N 3.25Å; A400-R563 VanDerWaalsContact O-N 3.08Å; A400-L566 HydrophobicContact CB-CB 3.66Å; A400-L567 HydrophobicContact CB-CD2 3.62Å; A400-L567 HydrophobicContact CB-CG 4.08Å
401	E	87.3	Confident	84.9	Confident	66 Å²	66	59.7 Å²	59.7	31%	0.308	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-66.5	127	177.1	-68.6	-170.3	-160.3	0	0	110.4	E398 R560 T561 Y562	E398-E401 WeakPolarHBondContact O-CB 3.26Å; E398-E401 PolarHBondContact O-N 2.84Å; E398-E401 VanDerWaalsContact O-N 3.12Å; E401-R560 WeakPolarHBondContact OE1-CD 3.4Å; E401-R560 IonicContact OE1-CZ 2.76Å; E401-R560 IonicContact OE1-NE 2.62Å; E401-R560 IonicContact OE1-NH1 2.79Å; E401-R560 PolarHBondContact OE1-NH1 3.07Å; E401-T561 CarbonylContact C-O 3.53Å; E401-T561 VanDerWaalsContact CA-O 3.31Å; E401-T561 WeakPolarHBondContact CA-O 3.48Å; E401-Y562 HydrophobicContact CB-CE1 4.44Å; E401-Y562 HydrophobicContact CG-CD1 3.74Å; E401-Y562 HydrophobicContact CG-CE1 3.26Å; E401-Y562 PolarHBondContact OE1-OH 3.39Å
402	D	82	Confident	84.7	Confident	24 Å²	24	54.7 Å²	54.7	13%	0.128	29%	0.285	C	S	.	.			trans	-131.5	95.9	172.9	-169.9	-5.3	0	0	0	109.7	A400 A404 C405 T561 R563	A400-D402 PolarHBondContact O-N 2.8Å; D402-A404 PolarHBondContact O-N 3.13Å; D402-A404 WeakPolarHBondContact OD1-CA 3.5Å; D402-A404 WeakPolarHBondContact OD1-CB 3.22Å; D402-A404 PolarHBondContact OD1-N 3.38Å; D402-C405 WeakPolarHBondContact O-CB 3.3Å; D402-C405 PolarHBondContact O-N 2.78Å; D402-T561 PolarHBondContact N-O 2.52Å; D402-R563 HydrophobicContact CB-CG 3.62Å; D402-R563 IonicContact OD2-CZ 3.91Å; D402-R563 IonicContact OD2-NE 3.09Å; D402-R563 PolarHBondContact OD2-NE 2.85Å; D402-R563 IonicContact OD2-NH2 2.7Å; D402-R563 PolarHBondContact OD2-NH2 2.65Å
403	P	74.5	Confident	84.9	Confident	33 Å²	33	50.2 Å²	50.2	21%	0.214	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-51.1	-31.9	173.6	-27.6	35.7	0	0	0	111.7	R136 C405 I406	R136-P403 PolarHBondContact NH1-O 2.87Å; R136-P403 VanDerWaalsContact NH2-CB 3.33Å; R136-P403 PolarHBondContact NH2-O 2.9Å; P403-C405 PolarHBondContact O-N 3.24Å; P403-I406 HydrophobicContact CB-CD1 4.18Å; P403-I406 WeakPolarHBondContact O-CD1 2.89Å; P403-I406 VanDerWaalsContact O-CG1 3.26Å; P403-I406 WeakPolarHBondContact O-CG1 3.47Å; P403-I406 PolarHBondContact O-N 3.2Å
404	A	73	Confident	85.5	Confident	9 Å²	9	48.9 Å²	48.9	7%	0.074	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-45	-31.8	177.4	0	0	0	0	0	113.1	R136 E140 R144 D402	R136-A404 VanDerWaalsContact CZ-N 3.28Å; R136-A404 PolarHBondContact NH1-O 2.87Å; E140-A404 HydrophobicContact CG-CB 4.2Å; R144-A404 PolarHBondContact NH2-O 3.39Å; D402-A404 PolarHBondContact O-N 3.13Å; D402-A404 WeakPolarHBondContact OD1-CA 3.5Å; D402-A404 WeakPolarHBondContact OD1-CB 3.22Å; D402-A404 PolarHBondContact OD1-N 3.38Å
405	C	83.6	Confident	85.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-96.8	-3.3	-169.8	-61.2	0	0	0	0	114.9	R144 D402 P403 M547 A549 T561	R144-C405 PolarHBondContact NH2-O 3.44Å; D402-C405 WeakPolarHBondContact O-CB 3.3Å; D402-C405 PolarHBondContact O-N 2.78Å; P403-C405 PolarHBondContact O-N 3.24Å; C405-M547 HydrophobicContact CB-CB 4.27Å; C405-M547 HydrophobicContact CB-CE 4.23Å; C405-M547 WeakPolarHBondContact SG-CE 3.47Å; C405-A549 HydrophobicContact CB-CB 3.4Å; C405-A549 VanDerWaalsContact CB-CB 3.4Å; C405-T561 HydrophobicContact CB-CG2 3.6Å
406	I	82.9	Confident	86	Confident	54 Å²	54	42.6 Å²	42.6	28%	0.277	20%	0.2	S	C	.	.			trans	-50	130.5	-178.7	-71.1	166.1	0	0	0	111	R144 P403 F559 T561	R144-I406 PolarHBondContact NH1-O 3.02Å; R144-I406 VanDerWaalsContact NH1-O 3.08Å; R144-I406 PolarHBondContact NH2-O 3.21Å; P403-I406 HydrophobicContact CB-CD1 4.18Å; P403-I406 WeakPolarHBondContact O-CD1 2.89Å; P403-I406 VanDerWaalsContact O-CG1 3.26Å; P403-I406 WeakPolarHBondContact O-CG1 3.47Å; P403-I406 PolarHBondContact O-N 3.2Å; I406-F559 HydrophobicContact CB-CE1 4.49Å; I406-F559 HydrophobicContact CG1-CE1 4.2Å; I406-F559 HydrophobicContact CG2-CE1 3.84Å; I406-F559 HydrophobicContact CG2-CZ 4.21Å; I406-T561 WeakPolarHBondContact CG1-OG1 3.38Å
407	P	82.8	Confident	86.3	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.032	19%	0.192	C	C	.	.			trans	-65.7	140.8	177.5	27.3	-35.2	0	0	0	110.2	W410 I542 T551 F559	P407-W410 HydrophobicContact CG-CE3 4.49Å; P407-I542 HydrophobicContact CB-CG2 4.09Å; P407-I542 HydrophobicContact CG-CB 4.45Å; P407-I542 HydrophobicContact CG-CD1 4.04Å; P407-I542 HydrophobicContact CG-CG2 4.12Å; P407-T551 WeakPolarHBondContact CD-OG1 3.38Å; P407-F559 HydrophobicContact CG-CZ 3.76Å
408	I	82.4	Confident	86.4	Confident	36 Å²	36	40.1 Å²	40.1	19%	0.185	20%	0.195	C	C	.	.	S	Bend	trans	-87.7	-34.8	-177.8	-60.5	177	0	0	0	110.4	I316 L319 T320 C428	I316-I408 HydrophobicContact CG2-CG2 4.28Å; L319-I408 HydrophobicContact CB-CD1 3.26Å; L319-I408 HydrophobicContact CD1-CD1 3.73Å; L319-I408 HydrophobicContact CG-CD1 4.13Å; T320-I408 HydrophobicContact CG2-CB 3.6Å; T320-I408 HydrophobicContact CG2-CD1 3.7Å; T320-I408 HydrophobicContact CG2-CG1 4Å; T320-I408 HydrophobicContact CG2-CG2 4.19Å; I408-C428 PolarHBondContact O-SG 3.3Å
409	F	86	Confident	86.7	Confident	12 Å²	12	41 Å²	41	5%	0.053	21%	0.205	C	C	.	.			trans	-127.1	138	173.8	-66.9	-84.2	0	0	0	110.1	T317 T320 D429 L508 P509	T317-F409 HydrophobicContact CG2-CE2 4.06Å; T317-F409 HydrophobicContact CG2-CZ 3.66Å; T320-F409 HydrophobicContact CG2-CD2 4.29Å; F409-D429 HydrophobicContact CE1-CB 4.2Å; F409-L508 HydrophobicContact CE1-CD2 3.94Å; F409-L508 HydrophobicContact CZ-CD2 4.31Å; F409-P509 HydrophobicContact CB-CG 3.41Å; F409-P509 VanDerWaalsContact CB-CG 3.41Å; F409-P509 HydrophobicContact CD1-CG 4.14Å; F409-P509 HydrophobicContact CD2-CG 4Å; F409-P509 HydrophobicContact CG-CG 3.59Å
410	W	89.1	Confident	87	Confident	69 Å²	69	42.4 Å²	42.4	26%	0.261	21%	0.209	S	C	.	.			trans	-148.9	163.6	171.3	66.9	94.8	0	0	0	110	P407 S412 L427 C428 I542	P407-W410 HydrophobicContact CG-CE3 4.49Å; W410-S412 PolarHBondContact O-N 3.02Å; W410-L427 CarbonylContact O-C 3.53Å; W410-L427 WeakPolarHBondContact O-CA 3.49Å; W410-C428 HydrophobicContact CD2-CB 3.59Å; W410-C428 HydrophobicContact CE3-CB 3.81Å; W410-C428 VanDerWaalsContact CE3-SG 3.58Å; W410-C428 HydrophobicContact CG-CB 4.27Å; W410-C428 HydrophobicContact CH2-CB 3.65Å; W410-C428 HydrophobicContact CZ2-CB 3.43Å; W410-C428 VanDerWaalsContact CZ2-CB 3.43Å; W410-C428 HydrophobicContact CZ3-CB 3.84Å; W410-C428 PolarHBondContact O-N 3.34Å; W410-I542 HydrophobicContact CB-CD1 3.6Å; W410-I542 HydrophobicContact CB-CG1 4.46Å; W410-I542 HydrophobicContact CG-CD1 3.89Å
411	V	92.1	Very high	87.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114	176	178	0	0	0	0	108.8	K413 W414 Y425 Q426 L427 L523 L525 Q531	V411-K413 WeakPolarHBondContact CG1-O 3.49Å; V411-W414 HydrophobicContact CG1-CB 4.25Å; V411-Y425 HydrophobicContact CG2-CD2 4.2Å; V411-Q426 CarbonylContact C-O 3.53Å; V411-Q426 WeakPolarHBondContact CA-O 3.46Å; V411-L427 HydrophobicContact CG2-CD2 4.28Å; V411-L523 HydrophobicContact CB-CD1 3.92Å; V411-L523 HydrophobicContact CG1-CD1 3.93Å; V411-L523 HydrophobicContact CG2-CD1 4.1Å; V411-L525 HydrophobicContact CG2-CD1 4.41Å; V411-L525 HydrophobicContact CG2-CD2 3.98Å; V411-Q531 PolarHBondContact O-NE2 2.7Å; V411-Q531 PolarHBondContact O-OE1 3.07Å
412	S	88.2	Confident	87.6	Confident	28 Å²	28	43.3 Å²	43.3	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-38.5	178.7	63.2	0	0	0	0	111.6	W410 Q426 L427	W410-S412 PolarHBondContact O-N 3.02Å; S412-Q426 PolarHBondContact N-O 3.09Å; S412-Q426 PolarHBondContact OG-O 2.75Å; S412-Q426 VanDerWaalsContact OG-O 3.08Å; S412-L427 PolarHBondContact OG-O 3.19Å
413	K	90.1	Very high	88.3	Confident	16 Å²	16	42.2 Å²	42.2	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.7	179.9	-60.4	169.5	172.5	-171.5	0	110.9	V411 Y425 Q426 M486 L490 L491	V411-K413 WeakPolarHBondContact CG1-O 3.49Å; K413-Y425 CarbonylContact O-C 3.45Å; K413-Y425 VanDerWaalsContact O-CA 3.31Å; K413-Y425 WeakPolarHBondContact O-CA 3.38Å; K413-Q426 HydrophobicContact CB-CB 3.99Å; K413-Q426 PolarHBondContact N-O 3.3Å; K413-Q426 PolarHBondContact O-N 3.4Å; K413-M486 HydrophobicContact CB-CG 4.5Å; K413-M486 HydrophobicContact CB-SD 3.86Å; K413-M486 HydrophobicContact CD-CB 4.21Å; K413-M486 PolarHBondContact NZ-O 2.83Å; K413-L490 HydrophobicContact CB-CD1 3.79Å; K413-L490 HydrophobicContact CD-CB 3.76Å; K413-L490 HydrophobicContact CD-CD1 4.01Å; K413-L490 WeakPolarHBondContact CE-O 3.38Å; K413-L490 HydrophobicContact CG-CB 4.19Å; K413-L490 HydrophobicContact CG-CD1 4.01Å; K413-L490 PolarHBondContact NZ-O 2.91Å; K413-L491 WeakPolarHBondContact CE-O 3.44Å; K413-L491 PolarHBondContact NZ-O 3.35Å
414	W	93.7	Very high	89.3	Confident	64 Å²	64	40.6 Å²	40.6	24%	0.242	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.3	175.3	59.8	-84.9	0	0	0	110.4	V411 D416 L423 G424 I521 N533 F535	V411-W414 HydrophobicContact CG1-CB 4.25Å; W414-D416 HydrophobicContact CE3-CB 4.35Å; W414-D416 HydrophobicContact CZ3-CB 3.98Å; W414-L423 HydrophobicContact CE3-CD1 4.33Å; W414-G424 CarbonylContact C-O 3.56Å; W414-G424 VanDerWaalsContact CA-O 3.24Å; W414-G424 WeakPolarHBondContact CA-O 3.15Å; W414-I521 HydrophobicContact CD2-CD1 3.9Å; W414-I521 HydrophobicContact CD2-CG2 4.38Å; W414-I521 HydrophobicContact CE3-CD1 3.61Å; W414-I521 HydrophobicContact CH2-CD1 4.13Å; W414-I521 HydrophobicContact CH2-CG2 4.22Å; W414-I521 HydrophobicContact CZ2-CB 4.42Å; W414-I521 HydrophobicContact CZ2-CD1 4.4Å; W414-I521 HydrophobicContact CZ2-CG2 3.65Å; W414-I521 HydrophobicContact CZ3-CD1 3.73Å; W414-N533 PolarHBondContact NE1-ND2 2.76Å; W414-F535 AromaticContact CH2-CE1 3.84Å; W414-F535 HydrophobicContact CH2-CE1 3.84Å; W414-F535 HydrophobicContact CH2-CZ 4.49Å; W414-F535 AromaticContact CZ2-CE1 3.83Å; W414-F535 HydrophobicContact CZ2-CE1 3.83Å
415	V	92.8	Very high	90.4	Very high	15 Å²	15	40.3 Å²	40.3	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.2	177.4	-165.6	0	0	0	0	108.9	Y417 G424 F482 Y485 M486 L490	V415-Y417 HydrophobicContact CB-CD2 4.48Å; V415-Y417 HydrophobicContact CG1-CD2 3.59Å; V415-Y417 HydrophobicContact CG1-CE2 3.4Å; V415-G424 PolarHBondContact N-O 2.92Å; V415-G424 PolarHBondContact O-N 3.48Å; V415-F482 HydrophobicContact CB-CD1 4.31Å; V415-F482 HydrophobicContact CB-CE1 4.38Å; V415-Y485 HydrophobicContact CG1-CD1 4.25Å; V415-Y485 HydrophobicContact CG1-CE1 3.95Å; V415-Y485 HydrophobicContact CG2-CD1 3.85Å; V415-Y485 HydrophobicContact CG2-CE1 3.98Å; V415-M486 HydrophobicContact CG2-CG 3.46Å; V415-M486 VanDerWaalsContact CG2-CG 3.46Å; V415-M486 HydrophobicContact CG2-SD 4.01Å; V415-L490 HydrophobicContact CG2-CD1 4.33Å
416	D	92.8	Very high	90.9	Very high	38 Å²	38	41 Å²	41	20%	0.203	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.3	-177.4	-176.2	3	0	0	0	110.8	W414 S418 L423 W514 R516	W414-D416 HydrophobicContact CE3-CB 4.35Å; W414-D416 HydrophobicContact CZ3-CB 3.98Å; D416-S418 WeakPolarHBondContact OD1-CB 3.38Å; D416-S418 PolarHBondContact OD1-N 3.37Å; D416-S418 PolarHBondContact OD1-OG 2.92Å; D416-L423 HydrophobicContact CB-CD1 3.79Å; D416-W514 WeakPolarHBondContact OD1-CH2 3.43Å; D416-R516 WeakPolarHBondContact OD2-CD 3.05Å; D416-R516 IonicContact OD2-CZ 2.64Å; D416-R516 IonicContact OD2-NE 3.13Å; D416-R516 IonicContact OD2-NH1 3.87Å; D416-R516 PolarHBondContact OD2-NH1 2.7Å
417	Y	93	Very high	91.3	Very high	77 Å²	77	38.4 Å²	38.4	30%	0.302	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	35.8	169	-79.9	-87.5	0	0	0	109.8	V415 D419 K420 Y421 G422 F482	V415-Y417 HydrophobicContact CB-CD2 4.48Å; V415-Y417 HydrophobicContact CG1-CD2 3.59Å; V415-Y417 HydrophobicContact CG1-CE2 3.4Å; Y417-D419 PolarHBondContact O-N 3.12Å; Y417-K420 PolarHBondContact O-N 3.3Å; Y417-Y421 PolarHBondContact O-N 2.93Å; Y417-G422 CarbonylContact C-O 3.58Å; Y417-G422 WeakPolarHBondContact CA-O 3.2Å; Y417-G422 PolarHBondContact N-O 3.39Å; Y417-G422 VanDerWaalsContact N-O 3.07Å; Y417-G422 PolarHBondContact O-N 3.32Å; Y417-F482 HydrophobicContact CD2-CD1 4.46Å; Y417-F482 AromaticContact CD2-CE1 3.61Å; Y417-F482 HydrophobicContact CD2-CE1 3.61Å; Y417-F482 HydrophobicContact CD2-CZ 4.26Å; Y417-F482 HydrophobicContact CE2-CE1 4.39Å; Y417-F482 HydrophobicContact CG-CE1 4.31Å
418	S	90.7	Very high	91.3	Very high	31 Å²	31	39.1 Å²	39.1	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.5	-176.7	58.6	0	0	0	0	114.2	D416 K420 G422 N437 W514	D416-S418 WeakPolarHBondContact OD1-CB 3.38Å; D416-S418 PolarHBondContact OD1-N 3.37Å; D416-S418 PolarHBondContact OD1-OG 2.92Å; S418-K420 PolarHBondContact O-N 2.95Å; S418-G422 PolarHBondContact N-O 2.86Å; S418-N437 PolarHBondContact O-ND2 2.95Å; S418-N437 PolarHBondContact O-OD1 3.4Å; S418-W514 VanDerWaalsContact CB-CZ2 3.46Å; S418-W514 WeakPolarHBondContact OG-CH2 3.46Å
419	D	90.6	Very high	91.2	Very high	170 Å²	170	38.5 Å²	38.5	91%	0.909	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	172.6	-64	-31.2	0	0	0	113.1	Y417	Y417-D419 PolarHBondContact O-N 3.12Å
420	K	92.1	Very high	91.1	Very high	143 Å²	143	39.1 Å²	39.1	62%	0.622	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-40.1	-175.5	-163.4	174.3	179.1	-173.8	0	114.7	Y417 S418	Y417-K420 PolarHBondContact O-N 3.3Å; S418-K420 PolarHBondContact O-N 2.95Å
421	Y	93	Very high	91.1	Very high	85 Å²	85	35.9 Å²	35.9	33%	0.333	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-42.9	-162.7	-62.6	-47.4	0	0	0	113.5	Y417 F436 N437 L478	Y417-Y421 PolarHBondContact O-N 2.93Å; Y421-F436 WeakPolarHBondContact O-CA 3.33Å; Y421-N437 PolarHBondContact O-N 2.79Å; Y421-N437 VanDerWaalsContact O-N 3.16Å; Y421-L478 HydrophobicContact CD1-CD1 4.44Å; Y421-L478 HydrophobicContact CD1-CD2 3.73Å; Y421-L478 HydrophobicContact CD2-CD1 3.8Å; Y421-L478 HydrophobicContact CD2-CD2 4.27Å; Y421-L478 HydrophobicContact CE1-CD2 4.47Å; Y421-L478 HydrophobicContact CE2-CD1 4.02Å; Y421-L478 HydrophobicContact CG-CD1 4.01Å; Y421-L478 HydrophobicContact CG-CD2 3.6Å; Y421-L478 HydrophobicContact CG-CG 4.45Å
422	G	94.1	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.7	-163.5	-174.2	0	0	0	0	0	112.7	Y417 S418 L435 N437	Y417-G422 CarbonylContact C-O 3.58Å; Y417-G422 WeakPolarHBondContact CA-O 3.2Å; Y417-G422 PolarHBondContact N-O 3.39Å; Y417-G422 VanDerWaalsContact N-O 3.07Å; Y417-G422 PolarHBondContact O-N 3.32Å; S418-G422 PolarHBondContact N-O 2.86Å; G422-L435 CarbonylContact C-O 3.57Å; G422-L435 VanDerWaalsContact CA-O 3.28Å; G422-L435 WeakPolarHBondContact CA-O 3.43Å; G422-N437 VanDerWaalsContact CA-OD1 3.26Å; G422-N437 WeakPolarHBondContact CA-OD1 3.37Å; G422-N437 PolarHBondContact N-OD1 2.76Å
423	L	96.9	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121	-179.6	-163.7	91.8	0	0	0	110.6	W414 D416 V434 L435 L511 W514 I521 L523	W414-L423 HydrophobicContact CE3-CD1 4.33Å; D416-L423 HydrophobicContact CB-CD1 3.79Å; L423-V434 WeakPolarHBondContact O-CA 3.42Å; L423-L435 PolarHBondContact N-O 3.41Å; L423-L435 PolarHBondContact O-N 3Å; L423-L511 HydrophobicContact CB-CD2 4.49Å; L423-L511 HydrophobicContact CD2-CD2 3.34Å; L423-L511 HydrophobicContact CG-CD2 4.49Å; L423-W514 HydrophobicContact CB-CD2 4.28Å; L423-W514 HydrophobicContact CB-CZ2 4.09Å; L423-W514 HydrophobicContact CD1-CD2 3.9Å; L423-W514 HydrophobicContact CD1-CE3 3.91Å; L423-W514 HydrophobicContact CD1-CH2 3.98Å; L423-W514 HydrophobicContact CD1-CZ2 3.99Å; L423-W514 HydrophobicContact CD1-CZ3 3.92Å; L423-W514 HydrophobicContact CD2-CB 4.37Å; L423-W514 HydrophobicContact CD2-CD2 3.98Å; L423-W514 HydrophobicContact CD2-CG 3.86Å; L423-W514 HydrophobicContact CG-CD2 4.28Å; L423-I521 HydrophobicContact CD1-CD1 4.14Å; L423-L523 HydrophobicContact CD2-CD2 3.74Å
424	G	96.6	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.3	168.1	0	0	0	0	0	111	W414 V415 G433	W414-G424 CarbonylContact C-O 3.56Å; W414-G424 VanDerWaalsContact CA-O 3.24Å; W414-G424 WeakPolarHBondContact CA-O 3.15Å; V415-G424 PolarHBondContact N-O 2.92Å; V415-G424 PolarHBondContact O-N 3.48Å; G424-G433 CarbonylContact C-O 3.59Å; G424-G433 WeakPolarHBondContact CA-O 3.45Å
425	Y	95.7	Very high	92.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.8	177.1	66.7	-83.3	0	0	0	112	V411 K413 L427 V432 G433 Y510 L511	V411-Y425 HydrophobicContact CG2-CD2 4.2Å; K413-Y425 CarbonylContact O-C 3.45Å; K413-Y425 VanDerWaalsContact O-CA 3.31Å; K413-Y425 WeakPolarHBondContact O-CA 3.38Å; Y425-L427 HydrophobicContact CD2-CD2 4.15Å; Y425-L427 HydrophobicContact CD2-CG 4.38Å; Y425-L427 HydrophobicContact CE2-CD2 4.03Å; Y425-L427 HydrophobicContact CE2-CG 4.16Å; Y425-V432 CarbonylContact O-C 3.49Å; Y425-V432 WeakPolarHBondContact O-CA 3.39Å; Y425-G433 WeakPolarHBondContact CD1-O 3.37Å; Y425-G433 WeakPolarHBondContact CE1-O 3.18Å; Y425-G433 PolarHBondContact N-O 2.81Å; Y425-G433 PolarHBondContact O-N 3.08Å; Y425-Y510 VanDerWaalsContact OH-CA 3.27Å; Y425-Y510 WeakPolarHBondContact OH-CA 3.35Å; Y425-Y510 WeakPolarHBondContact OH-CB 2.84Å; Y425-L511 HydrophobicContact CD1-CB 4.04Å; Y425-L511 HydrophobicContact CD1-CD2 4.21Å; Y425-L511 HydrophobicContact CE1-CB 3.6Å; Y425-L511 HydrophobicContact CE1-CD2 4.49Å; Y425-L511 PolarHBondContact OH-N 3.03Å
426	Q	93.2	Very high	92.3	Very high	15 Å²	15	31.5 Å²	31.5	7%	0.07	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.6	172.1	-170.6	178	-31.3	0	0	108.6	V411 S412 K413 N430 S431 V432 M486	V411-Q426 CarbonylContact C-O 3.53Å; V411-Q426 WeakPolarHBondContact CA-O 3.46Å; S412-Q426 PolarHBondContact N-O 3.09Å; S412-Q426 PolarHBondContact OG-O 2.75Å; S412-Q426 VanDerWaalsContact OG-O 3.08Å; K413-Q426 HydrophobicContact CB-CB 3.99Å; K413-Q426 PolarHBondContact N-O 3.3Å; K413-Q426 PolarHBondContact O-N 3.4Å; Q426-N430 PolarHBondContact NE2-OD1 2.99Å; Q426-N430 VanDerWaalsContact NE2-OD1 3.14Å; Q426-S431 CarbonylContact C-O 3.6Å; Q426-S431 WeakPolarHBondContact CA-O 3.05Å; Q426-V432 HydrophobicContact CG-CG2 4.2Å; Q426-M486 HydrophobicContact CB-CE 4.1Å; Q426-M486 HydrophobicContact CB-SD 3.99Å
427	L	90.9	Very high	92.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	169.8	173.5	-65.2	178.8	0	0	0	111	W410 V411 S412 Y425 D429 N430 S431 L508 P509	W410-L427 CarbonylContact O-C 3.53Å; W410-L427 WeakPolarHBondContact O-CA 3.49Å; V411-L427 HydrophobicContact CG2-CD2 4.28Å; S412-L427 PolarHBondContact OG-O 3.19Å; Y425-L427 HydrophobicContact CD2-CD2 4.15Å; Y425-L427 HydrophobicContact CD2-CG 4.38Å; Y425-L427 HydrophobicContact CE2-CD2 4.03Å; Y425-L427 HydrophobicContact CE2-CG 4.16Å; L427-D429 WeakPolarHBondContact CB-OD1 3.47Å; L427-D429 PolarHBondContact O-N 3.48Å; L427-N430 PolarHBondContact O-N 3.38Å; L427-S431 PolarHBondContact N-O 3.33Å; L427-L508 HydrophobicContact CD1-CB 4.38Å; L427-P509 HydrophobicContact CD1-CG 4.19Å; L427-P509 WeakPolarHBondContact CD1-O 3.35Å
428	C	84.3	Confident	92.4	Very high	19 Å²	19	32.5 Å²	32.5	13%	0.128	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.1	179.2	62.3	0	0	0	0	114.6	I408 W410 N430	I408-C428 PolarHBondContact O-SG 3.3Å; W410-C428 HydrophobicContact CD2-CB 3.59Å; W410-C428 HydrophobicContact CE3-CB 3.81Å; W410-C428 VanDerWaalsContact CE3-SG 3.58Å; W410-C428 HydrophobicContact CG-CB 4.27Å; W410-C428 HydrophobicContact CH2-CB 3.65Å; W410-C428 HydrophobicContact CZ2-CB 3.43Å; W410-C428 VanDerWaalsContact CZ2-CB 3.43Å; W410-C428 HydrophobicContact CZ3-CB 3.84Å; W410-C428 PolarHBondContact O-N 3.34Å; C428-N430 VanDerWaalsContact C-N 3.3Å
429	D	80.3	Confident	92.5	Very high	23 Å²	23	34.1 Å²	34.1	12%	0.123	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5	174	71.2	-22.7	0	0	0	112.9	F409 L427 S431 I497 L508	F409-D429 HydrophobicContact CE1-CB 4.2Å; L427-D429 WeakPolarHBondContact CB-OD1 3.47Å; L427-D429 PolarHBondContact O-N 3.48Å; D429-S431 VanDerWaalsContact C-N 3.29Å; D429-S431 VanDerWaalsContact CG-OG 3.26Å; D429-S431 PolarHBondContact O-N 3.47Å; D429-S431 VanDerWaalsContact OD1-CB 3.27Å; D429-S431 WeakPolarHBondContact OD1-CB 3.42Å; D429-S431 PolarHBondContact OD1-N 2.95Å; D429-S431 PolarHBondContact OD1-OG 2.92Å; D429-S431 PolarHBondContact OD2-OG 2.97Å; D429-I497 HydrophobicContact CB-CD1 4.32Å; D429-L508 WeakPolarHBondContact OD2-CD2 3.42Å
430	N	84.1	Confident	92.8	Very high	26 Å²	26	26.2 Å²	26.2	14%	0.139	13%	0.133	C	C	.	.	S	Bend	trans	72.3	4.6	-173.9	-47	-63.3	0	0	0	116.7	Q426 L427 C428 N446 A495	Q426-N430 PolarHBondContact NE2-OD1 2.99Å; Q426-N430 VanDerWaalsContact NE2-OD1 3.14Å; L427-N430 PolarHBondContact O-N 3.38Å; C428-N430 VanDerWaalsContact C-N 3.3Å; N430-N446 WeakPolarHBondContact CB-OD1 3.45Å; N430-A495 PolarHBondContact ND2-O 2.98Å; N430-A495 VanDerWaalsContact ND2-O 3.16Å
431	S	89.4	Confident	93	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.11	C	C	.	.			trans	-64.8	143.6	169.3	-59.3	0	0	0	0	110.4	Q426 L427 D429 L444 N446 L508	Q426-S431 CarbonylContact C-O 3.6Å; Q426-S431 WeakPolarHBondContact CA-O 3.05Å; L427-S431 PolarHBondContact N-O 3.33Å; D429-S431 VanDerWaalsContact C-N 3.29Å; D429-S431 VanDerWaalsContact CG-OG 3.26Å; D429-S431 PolarHBondContact O-N 3.47Å; D429-S431 VanDerWaalsContact OD1-CB 3.27Å; D429-S431 WeakPolarHBondContact OD1-CB 3.42Å; D429-S431 PolarHBondContact OD1-N 2.95Å; D429-S431 PolarHBondContact OD1-OG 2.92Å; D429-S431 PolarHBondContact OD2-OG 2.97Å; S431-L444 CarbonylContact C-O 3.59Å; S431-L444 WeakPolarHBondContact CA-O 3.42Å; S431-N446 PolarHBondContact OG-N 3.47Å; S431-L508 VanDerWaalsContact OG-CD1 3.31Å; S431-L508 WeakPolarHBondContact OG-CD1 3.35Å
432	V	93.7	Very high	93.1	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.5	-174	178.4	0	0	0	0	109.6	Y425 Q426 I443 L444 L479 R483 M486	Y425-V432 CarbonylContact O-C 3.49Å; Y425-V432 WeakPolarHBondContact O-CA 3.39Å; Q426-V432 HydrophobicContact CG-CG2 4.2Å; V432-I443 CarbonylContact O-C 3.29Å; V432-I443 WeakPolarHBondContact O-CA 3.42Å; V432-L444 PolarHBondContact N-O 3.07Å; V432-L444 PolarHBondContact O-N 3.3Å; V432-L479 HydrophobicContact CB-CD1 4.45Å; V432-L479 HydrophobicContact CG1-CD1 3.79Å; V432-R483 HydrophobicContact CG1-CB 4.25Å; V432-R483 HydrophobicContact CG2-CB 4.06Å; V432-R483 HydrophobicContact CG2-CG 4.05Å; V432-M486 HydrophobicContact CG1-CE 3.7Å; V432-M486 HydrophobicContact CG2-CE 4.42Å
433	G	96.2	Very high	93.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157	174.1	0	0	0	0	0	113	G424 Y425 L442	G424-G433 CarbonylContact C-O 3.59Å; G424-G433 WeakPolarHBondContact CA-O 3.45Å; Y425-G433 WeakPolarHBondContact CD1-O 3.37Å; Y425-G433 WeakPolarHBondContact CE1-O 3.18Å; Y425-G433 PolarHBondContact N-O 2.81Å; Y425-G433 PolarHBondContact O-N 3.08Å; G433-L442 CarbonylContact C-O 3.53Å; G433-L442 VanDerWaalsContact CA-O 3.27Å; G433-L442 WeakPolarHBondContact CA-O 3.43Å
434	V	97.5	Very high	93	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.7	171.3	-179.3	0	0	0	0	108.6	L423 F436 R441 L442 L479 F482	L423-V434 WeakPolarHBondContact O-CA 3.42Å; V434-F436 HydrophobicContact CB-CE1 4.3Å; V434-F436 HydrophobicContact CB-CE2 4.01Å; V434-F436 HydrophobicContact CB-CZ 3.88Å; V434-F436 HydrophobicContact CG1-CD1 3.76Å; V434-F436 HydrophobicContact CG1-CD2 4.12Å; V434-F436 HydrophobicContact CG1-CE1 3.56Å; V434-F436 HydrophobicContact CG1-CE2 3.93Å; V434-F436 HydrophobicContact CG1-CG 4.03Å; V434-F436 HydrophobicContact CG1-CZ 3.64Å; V434-R441 VanDerWaalsContact O-CA 3.27Å; V434-R441 WeakPolarHBondContact O-CA 3.49Å; V434-L442 PolarHBondContact N-O 2.91Å; V434-L442 PolarHBondContact O-N 3.27Å; V434-L479 HydrophobicContact CB-CD1 4.38Å; V434-L479 HydrophobicContact CG2-CB 4.39Å; V434-L479 HydrophobicContact CG2-CD1 3.55Å; V434-F482 HydrophobicContact CG1-CD2 4.31Å; V434-F482 HydrophobicContact CG1-CE2 3.89Å; V434-F482 HydrophobicContact CG2-CB 4.42Å; V434-F482 HydrophobicContact CG2-CD2 3.42Å; V434-F482 VanDerWaalsContact CG2-CD2 3.42Å; V434-F482 HydrophobicContact CG2-CE2 3.87Å; V434-F482 HydrophobicContact CG2-CG 4.16Å
435	L	97.2	Very high	92.6	Very high	15 Å²	15	18.9 Å²	18.9	8%	0.079	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.8	163.7	170.3	57.5	0	0	0	107.5	G422 L423 R441 L511	G422-L435 CarbonylContact C-O 3.57Å; G422-L435 VanDerWaalsContact CA-O 3.28Å; G422-L435 WeakPolarHBondContact CA-O 3.43Å; L423-L435 PolarHBondContact N-O 3.41Å; L423-L435 PolarHBondContact O-N 3Å; L435-R441 HydrophobicContact CB-CG 4.49Å; L435-R441 HydrophobicContact CD1-CG 3.68Å; L435-L511 HydrophobicContact CB-CD2 4.27Å; L435-L511 HydrophobicContact CD2-CD2 4.11Å; L435-L511 HydrophobicContact CD2-CG 4.22Å
436	F	96.8	Very high	92	Very high	14 Å²	14	21.4 Å²	21.4	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	155.9	-177.7	-63.8	-81.2	0	0	0	111.3	Y421 V434 D438 S439 T440 L442 K475 L478	Y421-F436 WeakPolarHBondContact O-CA 3.33Å; V434-F436 HydrophobicContact CB-CE1 4.3Å; V434-F436 HydrophobicContact CB-CE2 4.01Å; V434-F436 HydrophobicContact CB-CZ 3.88Å; V434-F436 HydrophobicContact CG1-CD1 3.76Å; V434-F436 HydrophobicContact CG1-CD2 4.12Å; V434-F436 HydrophobicContact CG1-CE1 3.56Å; V434-F436 HydrophobicContact CG1-CE2 3.93Å; V434-F436 HydrophobicContact CG1-CG 4.03Å; V434-F436 HydrophobicContact CG1-CZ 3.64Å; F436-D438 WeakPolarHBondContact CB-OD1 3.46Å; F436-D438 PolarHBondContact O-N 3.04Å; F436-D438 VanDerWaalsContact O-N 3.16Å; F436-S439 WeakPolarHBondContact O-CA 3.27Å; F436-S439 PolarHBondContact O-N 2.9Å; F436-T440 PolarHBondContact N-O 3.4Å; F436-L442 HydrophobicContact CE2-CB 3.7Å; F436-L442 HydrophobicContact CZ-CB 4.34Å; F436-K475 HydrophobicContact CD1-CG 4.43Å; F436-K475 HydrophobicContact CD2-CD 4.13Å; F436-K475 HydrophobicContact CE1-CB 4.1Å; F436-K475 HydrophobicContact CE1-CG 3.95Å; F436-K475 HydrophobicContact CE2-CB 4.03Å; F436-K475 HydrophobicContact CE2-CD 3.94Å; F436-K475 HydrophobicContact CE2-CG 4.07Å; F436-K475 HydrophobicContact CZ-CB 3.56Å; F436-K475 HydrophobicContact CZ-CD 4.18Å; F436-K475 HydrophobicContact CZ-CG 3.78Å; F436-L478 HydrophobicContact CD1-CD2 4.24Å; F436-L478 HydrophobicContact CE1-CD2 3.68Å; F436-L478 HydrophobicContact CE1-CG 4.46Å
437	N	94.4	Very high	91.4	Very high	86 Å²	86	24.2 Å²	24.2	46%	0.46	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27	176.6	-71.5	-9.5	0	0	0	113.2	S418 Y421 G422 S439	S418-N437 PolarHBondContact O-ND2 2.95Å; S418-N437 PolarHBondContact O-OD1 3.4Å; Y421-N437 PolarHBondContact O-N 2.79Å; Y421-N437 VanDerWaalsContact O-N 3.16Å; G422-N437 VanDerWaalsContact CA-OD1 3.26Å; G422-N437 WeakPolarHBondContact CA-OD1 3.37Å; G422-N437 PolarHBondContact N-OD1 2.76Å; N437-S439 PolarHBondContact O-N 2.91Å; N437-S439 VanDerWaalsContact O-N 3.16Å
438	D	93.8	Very high	91.1	Very high	49 Å²	49	25.3 Å²	25.3	26%	0.262	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	12.4	174.8	80.1	-13.5	0	0	0	113.1	F436 T440 R456 K475	F436-D438 WeakPolarHBondContact CB-OD1 3.46Å; F436-D438 PolarHBondContact O-N 3.04Å; F436-D438 VanDerWaalsContact O-N 3.16Å; D438-T440 PolarHBondContact O-N 2.78Å; D438-T440 VanDerWaalsContact O-N 3.13Å; D438-T440 WeakPolarHBondContact OD1-CB 3.46Å; D438-T440 WeakPolarHBondContact OD1-CG2 3.12Å; D438-T440 PolarHBondContact OD1-N 2.94Å; D438-T440 PolarHBondContact OD1-OG1 3.45Å; D438-T440 PolarHBondContact OD2-OG1 3.47Å; D438-R456 VanDerWaalsContact O-CD 3.32Å; D438-R456 WeakPolarHBondContact O-CD 3.35Å; D438-R456 VanDerWaalsContact O-CG 3.25Å; D438-R456 WeakPolarHBondContact O-CG 3.41Å; D438-R456 PolarHBondContact O-NE 3.49Å; D438-K475 IonicContact OD1-NZ 2.71Å; D438-K475 WeakPolarHBondContact OD2-CE 3.43Å; D438-K475 IonicContact OD2-NZ 3.73Å; D438-K475 PolarHBondContact OD2-NZ 2.85Å
439	S	92.6	Very high	91.2	Very high	66 Å²	66	27.3 Å²	27.3	46%	0.462	15%	0.151	S	C	.	.	S	Bend	trans	64.1	8.2	179.6	-57.7	0	0	0	0	115.9	F436 N437 R441	F436-S439 WeakPolarHBondContact O-CA 3.27Å; F436-S439 PolarHBondContact O-N 2.9Å; N437-S439 PolarHBondContact O-N 2.91Å; N437-S439 VanDerWaalsContact O-N 3.16Å; S439-R441 PolarHBondContact O-NH1 3.13Å
440	T	95.8	Very high	91.6	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	16%	0.159	C	C	.	.			trans	-84.8	161.5	168.8	69.5	0	0	0	0	110.6	F436 D438 Y453 I454 R456 K475	F436-T440 PolarHBondContact N-O 3.4Å; D438-T440 PolarHBondContact O-N 2.78Å; D438-T440 VanDerWaalsContact O-N 3.13Å; D438-T440 WeakPolarHBondContact OD1-CB 3.46Å; D438-T440 WeakPolarHBondContact OD1-CG2 3.12Å; D438-T440 PolarHBondContact OD1-N 2.94Å; D438-T440 PolarHBondContact OD1-OG1 3.45Å; D438-T440 PolarHBondContact OD2-OG1 3.47Å; T440-Y453 HydrophobicContact CG2-CE2 4.47Å; T440-Y453 WeakPolarHBondContact CG2-OH 3.45Å; T440-I454 CarbonylContact C-O 3.51Å; T440-I454 WeakPolarHBondContact CA-O 3.36Å; T440-R456 HydrophobicContact CG2-CG 3.88Å; T440-K475 PolarHBondContact OG1-NZ 2.89Å
441	R	96.4	Very high	92	Very high	37 Å²	37	27.1 Å²	27.1	14%	0.14	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.2	-180	-55.5	160.9	-176	73.1	8	110.3	V434 L435 S439 Y453 I454 L511 R512	V434-R441 VanDerWaalsContact O-CA 3.27Å; V434-R441 WeakPolarHBondContact O-CA 3.49Å; L435-R441 HydrophobicContact CB-CG 4.49Å; L435-R441 HydrophobicContact CD1-CG 3.68Å; S439-R441 PolarHBondContact O-NH1 3.13Å; R441-Y453 WeakPolarHBondContact O-CA 3.4Å; R441-Y453 WeakPolarHBondContact O-CD2 3.4Å; R441-I454 HydrophobicContact CB-CB 4.1Å; R441-I454 HydrophobicContact CB-CD1 4.44Å; R441-I454 HydrophobicContact CB-CG1 4.47Å; R441-I454 PolarHBondContact N-O 2.84Å; R441-I454 PolarHBondContact O-N 2.83Å; R441-L511 WeakPolarHBondContact CD-O 3.43Å; R441-L511 PolarHBondContact NE-O 3.11Å; R441-R512 PolarHBondContact NH2-O 2.91Å
442	L	96.2	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.9	172.9	-171.5	66.7	0	0	0	108.8	G433 V434 F436 L451 Q452 Y453 K475 I476 L479	G433-L442 CarbonylContact C-O 3.53Å; G433-L442 VanDerWaalsContact CA-O 3.27Å; G433-L442 WeakPolarHBondContact CA-O 3.43Å; V434-L442 PolarHBondContact N-O 2.91Å; V434-L442 PolarHBondContact O-N 3.27Å; F436-L442 HydrophobicContact CE2-CB 3.7Å; F436-L442 HydrophobicContact CZ-CB 4.34Å; L442-L451 HydrophobicContact CD1-CD2 4.26Å; L442-L451 HydrophobicContact CG-CD2 4.33Å; L442-Q452 CarbonylContact C-O 3.55Å; L442-Q452 WeakPolarHBondContact CA-O 3.3Å; L442-Y453 HydrophobicContact CD1-CD2 4.03Å; L442-Y453 HydrophobicContact CD1-CG 4.43Å; L442-K475 HydrophobicContact CD2-CB 4.17Å; L442-I476 HydrophobicContact CD2-CB 4.43Å; L442-I476 HydrophobicContact CD2-CG1 3.66Å; L442-L479 HydrophobicContact CD2-CB 4.24Å; L442-L479 HydrophobicContact CD2-CD2 3.73Å; L442-L479 HydrophobicContact CG-CD2 3.81Å
443	I	94.9	Very high	92.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.3	178.6	-52.6	107.2	0	0	0	108.8	V432 L451 Q452 I454 L508 Y510	V432-I443 CarbonylContact O-C 3.29Å; V432-I443 WeakPolarHBondContact O-CA 3.42Å; I443-L451 CarbonylContact O-C 3.6Å; I443-L451 VanDerWaalsContact O-CA 3.3Å; I443-L451 WeakPolarHBondContact O-CA 3.31Å; I443-Q452 HydrophobicContact CB-CB 4.3Å; I443-Q452 HydrophobicContact CD1-CB 4.14Å; I443-Q452 HydrophobicContact CD1-CG 3.78Å; I443-Q452 PolarHBondContact N-O 3.42Å; I443-Q452 PolarHBondContact O-N 3.37Å; I443-I454 HydrophobicContact CD1-CD1 3.82Å; I443-I454 HydrophobicContact CD1-CG1 4.33Å; I443-L508 HydrophobicContact CG2-CD1 3.94Å; I443-Y510 HydrophobicContact CD1-CG 4.44Å
444	L	92.4	Very high	92	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	170	178.9	66.4	0	0	0	108.8	S431 V432 L451 V465 L479	S431-L444 CarbonylContact C-O 3.59Å; S431-L444 WeakPolarHBondContact CA-O 3.42Å; V432-L444 PolarHBondContact N-O 3.07Å; V432-L444 PolarHBondContact O-N 3.3Å; L444-L451 HydrophobicContact CB-CD2 3.97Å; L444-L451 HydrophobicContact CD1-CD2 3.7Å; L444-L451 HydrophobicContact CD1-CG 4.3Å; L444-L451 HydrophobicContact CG-CD2 4.45Å; L444-V465 HydrophobicContact CD1-CG2 3.8Å; L444-L479 HydrophobicContact CB-CD2 3.61Å; L444-L479 HydrophobicContact CB-CG 4.27Å
445	Y	88.9	Confident	91.8	Very high	31 Å²	31	31.9 Å²	31.9	12%	0.122	18%	0.175	C	C	.	.			trans	-74.3	164	179.8	-72.7	-124.5	0	0	0	109.8	R324 D447 G448 S450 Q452 A506 L508	R324-Y445 PolarHBondContact NH2-OH 2.82Å; Y445-D447 PolarHBondContact O-N 2.86Å; Y445-G448 PolarHBondContact O-N 3.26Å; Y445-S450 WeakPolarHBondContact CD2-O 3.28Å; Y445-S450 PolarHBondContact N-O 2.75Å; Y445-Q452 HydrophobicContact CE2-CB 3.93Å; Y445-Q452 PolarHBondContact OH-OE1 2.84Å; Y445-A506 HydrophobicContact CE1-CB 4.21Å; Y445-A506 PolarHBondContact OH-O 2.89Å; Y445-L508 HydrophobicContact CD1-CD1 3.72Å; Y445-L508 HydrophobicContact CD1-CG 4.18Å; Y445-L508 HydrophobicContact CD2-CD1 3.94Å; Y445-L508 HydrophobicContact CE1-CD1 3.76Å; Y445-L508 HydrophobicContact CE1-CG 3.79Å; Y445-L508 HydrophobicContact CE2-CD1 3.95Å; Y445-L508 HydrophobicContact CE2-CG 4.5Å; Y445-L508 HydrophobicContact CG-CD1 3.79Å
446	N	83.3	Confident	91.5	Very high	55 Å²	55	39.4 Å²	39.4	29%	0.294	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	-179.2	-178.1	56.5	0	0	0	113.8	N430 S431 G448 I497	N430-N446 WeakPolarHBondContact CB-OD1 3.45Å; S431-N446 PolarHBondContact OG-N 3.47Å; N446-G448 PolarHBondContact O-N 3.04Å; N446-I497 PolarHBondContact ND2-O 3.08Å
447	D	80.8	Confident	91	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	172.9	66.9	4.1	0	0	0	113.3	Y445 D449 S450 P499	Y445-D447 PolarHBondContact O-N 2.86Å; D447-D449 VanDerWaalsContact C-N 3.27Å; D447-D449 PolarHBondContact O-N 2.82Å; D447-D449 PolarHBondContact OD1-N 3.39Å; D447-S450 PolarHBondContact OD1-N 2.82Å; D447-S450 WeakPolarHBondContact OD2-CB 3.36Å; D447-S450 PolarHBondContact OD2-N 2.79Å; D447-S450 PolarHBondContact OD2-OG 3.12Å; D447-P499 HydrophobicContact CB-CG 4.26Å
448	G	84.5	Confident	90.6	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	22%	0.221	C	C	.	.	S	Bend	trans	77.5	5.3	179.2	0	0	0	0	0	115	Y445 N446	Y445-G448 PolarHBondContact O-N 3.26Å; N446-G448 PolarHBondContact O-N 3.04Å
449	D	86.4	Confident	90.3	Very high	61 Å²	61	42.2 Å²	42.2	33%	0.326	23%	0.228	S	C	.	.	S	Bend	trans	-126.8	-39.8	178.2	-169.1	41.4	0	0	0	112.9	D447 L451 T464 V465 S466	D447-D449 VanDerWaalsContact C-N 3.27Å; D447-D449 PolarHBondContact O-N 2.82Å; D447-D449 PolarHBondContact OD1-N 3.39Å; D449-L451 PolarHBondContact O-N 3.03Å; D449-T464 CarbonylContact O-C 3.5Å; D449-T464 VanDerWaalsContact O-CA 3.26Å; D449-T464 WeakPolarHBondContact O-CA 3.21Å; D449-V465 WeakPolarHBondContact O-CG2 3.46Å; D449-V465 PolarHBondContact O-N 3.19Å; D449-V465 WeakPolarHBondContact OD1-CB 3.37Å; D449-V465 PolarHBondContact OD1-N 3.24Å; D449-S466 PolarHBondContact OD1-N 3.29Å
450	S	89.1	Confident	90.2	Very high	43 Å²	43	41 Å²	41	30%	0.301	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.4	-177.2	-62.1	0	0	0	0	111.7	Y445 D447	Y445-S450 WeakPolarHBondContact CD2-O 3.28Å; Y445-S450 PolarHBondContact N-O 2.75Å; D447-S450 PolarHBondContact OD1-N 2.82Å; D447-S450 WeakPolarHBondContact OD2-CB 3.36Å; D447-S450 PolarHBondContact OD2-N 2.79Å; D447-S450 PolarHBondContact OD2-OG 3.12Å
451	L	91.1	Very high	89.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.2	-179	-71.1	172.7	0	0	0	111.7	L442 I443 L444 D449 Y462 L463 V465 I476 L479	L442-L451 HydrophobicContact CD1-CD2 4.26Å; L442-L451 HydrophobicContact CG-CD2 4.33Å; I443-L451 CarbonylContact O-C 3.6Å; I443-L451 VanDerWaalsContact O-CA 3.3Å; I443-L451 WeakPolarHBondContact O-CA 3.31Å; L444-L451 HydrophobicContact CB-CD2 3.97Å; L444-L451 HydrophobicContact CD1-CD2 3.7Å; L444-L451 HydrophobicContact CD1-CG 4.3Å; L444-L451 HydrophobicContact CG-CD2 4.45Å; D449-L451 PolarHBondContact O-N 3.03Å; L451-Y462 WeakPolarHBondContact O-CA 3.42Å; L451-L463 WeakPolarHBondContact CA-O 3.23Å; L451-L463 HydrophobicContact CB-CB 4.17Å; L451-L463 WeakPolarHBondContact CB-O 3.44Å; L451-L463 PolarHBondContact N-O 2.83Å; L451-L463 PolarHBondContact O-N 2.86Å; L451-V465 HydrophobicContact CD1-CG2 3.98Å; L451-V465 HydrophobicContact CD2-CG2 4.36Å; L451-V465 HydrophobicContact CG-CG2 4.06Å; L451-I476 HydrophobicContact CD1-CD1 3.76Å; L451-I476 HydrophobicContact CD1-CG1 3.93Å; L451-L479 HydrophobicContact CD2-CD2 3.73Å
452	Q	92.9	Very high	89.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.1	166.1	167.6	171.1	18.5	0	0	109.1	L442 I443 Y445 I454 E460 S461 Y462	L442-Q452 CarbonylContact C-O 3.55Å; L442-Q452 WeakPolarHBondContact CA-O 3.3Å; I443-Q452 HydrophobicContact CB-CB 4.3Å; I443-Q452 HydrophobicContact CD1-CB 4.14Å; I443-Q452 HydrophobicContact CD1-CG 3.78Å; I443-Q452 PolarHBondContact N-O 3.42Å; I443-Q452 PolarHBondContact O-N 3.37Å; Y445-Q452 HydrophobicContact CE2-CB 3.93Å; Y445-Q452 PolarHBondContact OH-OE1 2.84Å; Q452-I454 HydrophobicContact CG-CD1 4.25Å; Q452-I454 HydrophobicContact CG-CG1 3.97Å; Q452-E460 PolarHBondContact NE2-OE2 3.17Å; Q452-S461 WeakPolarHBondContact CA-O 3.41Å; Q452-Y462 HydrophobicContact CB-CD1 3.98Å; Q452-Y462 HydrophobicContact CB-CE1 3.98Å; Q452-Y462 HydrophobicContact CG-CD1 4.16Å; Q452-Y462 HydrophobicContact CG-CE1 3.64Å
453	Y	94	Very high	89.1	Confident	25 Å²	25	47 Å²	47	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136.1	172	-178.9	-117	0	0	0	109.6	T440 R441 L442 E455 E460 S461 L472 K475	T440-Y453 HydrophobicContact CG2-CE2 4.47Å; T440-Y453 WeakPolarHBondContact CG2-OH 3.45Å; R441-Y453 WeakPolarHBondContact O-CA 3.4Å; R441-Y453 WeakPolarHBondContact O-CD2 3.4Å; L442-Y453 HydrophobicContact CD1-CD2 4.03Å; L442-Y453 HydrophobicContact CD1-CG 4.43Å; Y453-E455 HydrophobicContact CD1-CG 4.11Å; Y453-E455 HydrophobicContact CE1-CG 3.46Å; Y453-E455 VanDerWaalsContact CE1-CG 3.46Å; Y453-E460 CarbonylContact O-C 3.59Å; Y453-E460 WeakPolarHBondContact O-CA 3.38Å; Y453-S461 PolarHBondContact N-O 3.36Å; Y453-S461 PolarHBondContact O-N 2.97Å; Y453-L472 HydrophobicContact CD1-CD1 4.12Å; Y453-L472 HydrophobicContact CD1-CD2 4.29Å; Y453-L472 HydrophobicContact CD2-CD1 4.31Å; Y453-L472 HydrophobicContact CD2-CD2 4Å; Y453-L472 HydrophobicContact CE1-CD2 3.98Å; Y453-L472 HydrophobicContact CE2-CD2 3.69Å; Y453-L472 HydrophobicContact CG-CD1 3.96Å; Y453-L472 HydrophobicContact CG-CD2 4.28Å; Y453-K475 HydrophobicContact CE2-CD 4.24Å; Y453-K475 PolarHBondContact OH-NZ 3.16Å
454	I	93.6	Very high	88.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.3	179.2	-48	176.8	0	0	0	108.1	T440 R441 I443 Q452 T459 E460 Y510	T440-I454 CarbonylContact C-O 3.51Å; T440-I454 WeakPolarHBondContact CA-O 3.36Å; R441-I454 HydrophobicContact CB-CB 4.1Å; R441-I454 HydrophobicContact CB-CD1 4.44Å; R441-I454 HydrophobicContact CB-CG1 4.47Å; R441-I454 PolarHBondContact N-O 2.84Å; R441-I454 PolarHBondContact O-N 2.83Å; I443-I454 HydrophobicContact CD1-CD1 3.82Å; I443-I454 HydrophobicContact CD1-CG1 4.33Å; Q452-I454 HydrophobicContact CG-CD1 4.25Å; Q452-I454 HydrophobicContact CG-CG1 3.97Å; I454-T459 WeakPolarHBondContact CA-O 3.44Å; I454-E460 HydrophobicContact CG1-CG 4.12Å; I454-E460 HydrophobicContact CG2-CG 4.23Å; I454-Y510 HydrophobicContact CD1-CD1 3.33Å; I454-Y510 HydrophobicContact CD1-CD2 3.96Å; I454-Y510 HydrophobicContact CD1-CE1 3.44Å; I454-Y510 VanDerWaalsContact CD1-CE1 3.44Å; I454-Y510 HydrophobicContact CD1-CE2 4.03Å; I454-Y510 HydrophobicContact CD1-CG 3.6Å
455	E	93.3	Very high	88.6	Confident	80 Å²	80	49.9 Å²	49.9	37%	0.374	27%	0.265	S	S	.	.			trans	-76.4	175	178.9	-70.8	-161.7	-141.4	0	0	112.6	Y453 D457 G458 T459	Y453-E455 HydrophobicContact CD1-CG 4.11Å; Y453-E455 HydrophobicContact CE1-CG 3.46Å; Y453-E455 VanDerWaalsContact CE1-CG 3.46Å; E455-D457 VanDerWaalsContact C-N 3.27Å; E455-D457 WeakPolarHBondContact CB-OD1 3.49Å; E455-D457 PolarHBondContact O-N 3.04Å; E455-G458 PolarHBondContact O-N 3.19Å; E455-G458 VanDerWaalsContact O-N 3.11Å; E455-T459 PolarHBondContact N-O 3.08Å
456	R	91	Very high	88.5	Confident	172 Å²	172	53 Å²	53	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.2	-176.7	-62	-176.1	-177.1	171.4	4	112.7	D438 T440	D438-R456 VanDerWaalsContact O-CD 3.32Å; D438-R456 WeakPolarHBondContact O-CD 3.35Å; D438-R456 VanDerWaalsContact O-CG 3.25Å; D438-R456 WeakPolarHBondContact O-CG 3.41Å; D438-R456 PolarHBondContact O-NE 3.49Å; T440-R456 HydrophobicContact CG2-CG 3.88Å
457	D	86.1	Confident	88.8	Confident	107 Å²	107	54.4 Å²	54.4	57%	0.572	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.1	176.1	65.8	-13	0	0	0	112.5	E455 T459	E455-D457 VanDerWaalsContact C-N 3.27Å; E455-D457 WeakPolarHBondContact CB-OD1 3.49Å; E455-D457 PolarHBondContact O-N 3.04Å; D457-T459 VanDerWaalsContact OD1-CB 3.26Å; D457-T459 WeakPolarHBondContact OD1-CB 3.27Å; D457-T459 PolarHBondContact OD1-N 2.7Å; D457-T459 PolarHBondContact OD1-OG1 2.9Å; D457-T459 PolarHBondContact OD2-OG1 3.47Å
458	G	84.8	Confident	89.2	Confident	35 Å²	35	52.8 Å²	52.8	36%	0.361	30%	0.296	S	S	.	.			trans	88.8	0.7	-176.9	0	0	0	0	0	114.4	E455 E460	E455-G458 PolarHBondContact O-N 3.19Å; E455-G458 VanDerWaalsContact O-N 3.11Å; G458-E460 WeakPolarHBondContact O-CG 3.4Å; G458-E460 PolarHBondContact O-N 3.34Å
459	T	88.3	Confident	89.6	Confident	67 Å²	67	54.9 Å²	54.9	41%	0.411	31%	0.305	S	S	.	.			trans	-61.1	128.1	175.3	-63.6	0	0	0	0	109.8	I454 E455 D457	I454-T459 WeakPolarHBondContact CA-O 3.44Å; E455-T459 PolarHBondContact N-O 3.08Å; D457-T459 VanDerWaalsContact OD1-CB 3.26Å; D457-T459 WeakPolarHBondContact OD1-CB 3.27Å; D457-T459 PolarHBondContact OD1-N 2.7Å; D457-T459 PolarHBondContact OD1-OG1 2.9Å; D457-T459 PolarHBondContact OD2-OG1 3.47Å
460	E	89.8	Confident	89.8	Confident	39 Å²	39	58.9 Å²	58.9	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.4	-176.3	-54.4	-164.3	173.5	0	0	111.5	R324 Q452 Y453 I454 G458 Y462 R507	R324-E460 IonicContact NH1-OE2 2.66Å; Q452-E460 PolarHBondContact NE2-OE2 3.17Å; Y453-E460 CarbonylContact O-C 3.59Å; Y453-E460 WeakPolarHBondContact O-CA 3.38Å; I454-E460 HydrophobicContact CG1-CG 4.12Å; I454-E460 HydrophobicContact CG2-CG 4.23Å; G458-E460 WeakPolarHBondContact O-CG 3.4Å; G458-E460 PolarHBondContact O-N 3.34Å; E460-Y462 HydrophobicContact CB-CE1 4.33Å; E460-Y462 WeakPolarHBondContact CB-OH 3.38Å; E460-Y462 PolarHBondContact OE2-OH 2.92Å; E460-R507 VanDerWaalsContact CD-NH2 3.3Å; E460-R507 IonicContact OE1-CZ 3.63Å; E460-R507 IonicContact OE1-NE 2.76Å; E460-R507 PolarHBondContact OE1-NE 2.8Å; E460-R507 IonicContact OE1-NH2 3.55Å; E460-R507 PolarHBondContact OE1-NH2 2.93Å; E460-R507 IonicContact OE2-CZ 3.54Å; E460-R507 IonicContact OE2-NE 3.5Å; E460-R507 PolarHBondContact OE2-NE 3.46Å; E460-R507 VanDerWaalsContact OE2-NE 3.13Å; E460-R507 IonicContact OE2-NH2 2.72Å
461	S	88.1	Confident	89.9	Confident	43 Å²	43	61.5 Å²	61.5	30%	0.301	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.2	174.1	-67.1	0	0	0	0	110.5	Q452 Y453	Q452-S461 WeakPolarHBondContact CA-O 3.41Å; Y453-S461 PolarHBondContact N-O 3.36Å; Y453-S461 PolarHBondContact O-N 2.97Å
462	Y	87.3	Confident	90	Very high	87 Å²	87	61.8 Å²	61.8	34%	0.341	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	177.2	-49.2	-62.6	0	0	0	109.7	R324 L451 Q452 E460	R324-Y462 VanDerWaalsContact CD-CE2 3.43Å; R324-Y462 WeakPolarHBondContact CD-OH 3.22Å; R324-Y462 VanDerWaalsContact CZ-CD1 3.41Å; R324-Y462 VanDerWaalsContact CZ-OH 3.24Å; R324-Y462 PolarHBondContact NE-OH 3.24Å; R324-Y462 PolarHBondContact NH1-OH 3.02Å; L451-Y462 WeakPolarHBondContact O-CA 3.42Å; Q452-Y462 HydrophobicContact CB-CD1 3.98Å; Q452-Y462 HydrophobicContact CB-CE1 3.98Å; Q452-Y462 HydrophobicContact CG-CD1 4.16Å; Q452-Y462 HydrophobicContact CG-CE1 3.64Å; E460-Y462 HydrophobicContact CB-CE1 4.33Å; E460-Y462 WeakPolarHBondContact CB-OH 3.38Å; E460-Y462 PolarHBondContact OE2-OH 2.92Å
463	L	90.3	Very high	90	Very high	39 Å²	39	66.2 Å²	66.2	20%	0.204	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	173.7	-169.1	-57.3	171.9	0	0	0	108.2	L451 H468 L472	L451-L463 WeakPolarHBondContact CA-O 3.23Å; L451-L463 HydrophobicContact CB-CB 4.17Å; L451-L463 WeakPolarHBondContact CB-O 3.44Å; L451-L463 PolarHBondContact N-O 2.83Å; L451-L463 PolarHBondContact O-N 2.86Å; L463-H468 HydrophobicContact CB-CB 4.33Å; L463-H468 HydrophobicContact CD1-CB 4.14Å; L463-L472 HydrophobicContact CD1-CD1 3.44Å; L463-L472 VanDerWaalsContact CD1-CD1 3.44Å
464	T	89.3	Confident	90	Very high	39 Å²	39	73.7 Å²	73.7	24%	0.239	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.5	167.4	63.5	0	0	0	0	110.1	D449 S466 S467 H468	D449-T464 CarbonylContact O-C 3.5Å; D449-T464 VanDerWaalsContact O-CA 3.26Å; D449-T464 WeakPolarHBondContact O-CA 3.21Å; T464-S466 PolarHBondContact O-N 3.13Å; T464-S466 PolarHBondContact OG1-OG 3.44Å; T464-S467 PolarHBondContact N-O 2.95Å; T464-S467 CarbonylContact O-C 3.59Å; T464-S467 PolarHBondContact O-N 3.21Å; T464-S467 VanDerWaalsContact OG1-CB 3.3Å; T464-S467 WeakPolarHBondContact OG1-CB 3.41Å; T464-S467 PolarHBondContact OG1-N 3.23Å; T464-H468 PolarHBondContact O-ND1 2.77Å
465	V	87.8	Confident	90.1	Very high	25 Å²	25	75.4 Å²	75.4	15%	0.152	41%	0.409	C	S	.	.	S	Bend	trans	-60.5	-31.4	173.2	174.3	0	0	0	0	109.9	L444 D449 L451 H468 K480	L444-V465 HydrophobicContact CD1-CG2 3.8Å; D449-V465 WeakPolarHBondContact O-CG2 3.46Å; D449-V465 PolarHBondContact O-N 3.19Å; D449-V465 WeakPolarHBondContact OD1-CB 3.37Å; D449-V465 PolarHBondContact OD1-N 3.24Å; L451-V465 HydrophobicContact CD1-CG2 3.98Å; L451-V465 HydrophobicContact CD2-CG2 4.36Å; L451-V465 HydrophobicContact CG-CG2 4.06Å; V465-H468 PolarHBondContact O-CE1 3.5Å; V465-H468 PolarHBondContact O-ND1 3Å; V465-K480 VanDerWaalsContact CG1-NZ 3.28Å
466	S	86.8	Confident	90.1	Very high	97 Å²	97	71.8 Å²	71.8	68%	0.678	39%	0.392	S	S	*	.	S	Bend	trans	-76.6	-31	175.2	51.6	0	0	0	0	114.7	D449 T464	D449-S466 PolarHBondContact OD1-N 3.29Å; T464-S466 PolarHBondContact O-N 3.13Å; T464-S466 PolarHBondContact OG1-OG 3.44Å
467	S	90.1	Very high	90.2	Very high	84 Å²	84	67.7 Å²	67.7	59%	0.587	39%	0.386	S	S	*	.	S	Bend	trans	-131.4	96.2	-174.8	178.5	0	0	0	0	111.2	T464	T464-S467 PolarHBondContact N-O 2.95Å; T464-S467 CarbonylContact O-C 3.59Å; T464-S467 PolarHBondContact O-N 3.21Å; T464-S467 VanDerWaalsContact OG1-CB 3.3Å; T464-S467 WeakPolarHBondContact OG1-CB 3.41Å; T464-S467 PolarHBondContact OG1-N 3.23Å
468	H	88.9	Confident	90.6	Very high	42 Å²	42	63.7 Å²	63.7	19%	0.194	37%	0.365	C	S	.	.			trans	-150.3	158.5	179.3	59.9	-85.6	0	0	0	112.2	L463 T464 V465 M473 I476	L463-H468 HydrophobicContact CB-CB 4.33Å; L463-H468 HydrophobicContact CD1-CB 4.14Å; T464-H468 PolarHBondContact O-ND1 2.77Å; V465-H468 PolarHBondContact O-CE1 3.5Å; V465-H468 PolarHBondContact O-ND1 3Å; H468-M473 PolarHBondContact NE2-SD 3.42Å; H468-I476 HydrophobicContact CB-CD1 3.97Å; H468-I476 WeakPolarHBondContact CD2-CD1 3.44Å; H468-I476 WeakPolarHBondContact NE2-CD1 3.4Å
469	P	92.1	Very high	91	Very high	65 Å²	65	62.1 Å²	62.1	42%	0.422	35%	0.348	S	S	.	.			trans	-65.3	141.9	175.3	-21.1	33.2	0	0	0	112.8	S471 L472	P469-S471 PolarHBondContact O-N 3.05Å; P469-L472 PolarHBondContact O-N 3.2Å
470	N	90.8	Very high	91.1	Very high	145 Å²	145	63.3 Å²	63.3	78%	0.775	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.6	-27.4	177.8	-73.3	-30.5	0	0	0	113.8	L472 M473	N470-L472 PolarHBondContact O-N 3.31Å; N470-M473 WeakPolarHBondContact O-CB 3.45Å; N470-M473 PolarHBondContact O-N 3.12Å
471	S	92.1	Very high	91.2	Very high	98 Å²	98	67.2 Å²	67.2	69%	0.685	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.9	175.9	55.4	0	0	0	0	113.5	P469	P469-S471 PolarHBondContact O-N 3.05Å
472	L	93.5	Very high	91.3	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.042	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-93.3	-8.5	-179	-62	-174.8	0	0	0	114.2	Y453 L463 P469 N470 K474 K475 I476	Y453-L472 HydrophobicContact CD1-CD1 4.12Å; Y453-L472 HydrophobicContact CD1-CD2 4.29Å; Y453-L472 HydrophobicContact CD2-CD1 4.31Å; Y453-L472 HydrophobicContact CD2-CD2 4Å; Y453-L472 HydrophobicContact CE1-CD2 3.98Å; Y453-L472 HydrophobicContact CE2-CD2 3.69Å; Y453-L472 HydrophobicContact CG-CD1 3.96Å; Y453-L472 HydrophobicContact CG-CD2 4.28Å; L463-L472 HydrophobicContact CD1-CD1 3.44Å; L463-L472 VanDerWaalsContact CD1-CD1 3.44Å; P469-L472 PolarHBondContact O-N 3.2Å; N470-L472 PolarHBondContact O-N 3.31Å; L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 3.34Å; L472-K475 HydrophobicContact CD2-CD 4.28Å; L472-K475 PolarHBondContact O-N 3.3Å; L472-I476 HydrophobicContact CB-CD1 3.98Å; L472-I476 HydrophobicContact CB-CG1 4.46Å; L472-I476 PolarHBondContact O-N 2.78Å
473	M	92.8	Very high	91.4	Very high	93 Å²	93	65.9 Å²	65.9	46%	0.458	35%	0.349	S	S	.	.	H	α-helix	trans	-50.8	-45.3	-175.9	-85.1	-72.7	-78.8	0	0	113.3	H468 N470 I476 T477	H468-M473 PolarHBondContact NE2-SD 3.42Å; N470-M473 WeakPolarHBondContact O-CB 3.45Å; N470-M473 PolarHBondContact O-N 3.12Å; M473-I476 PolarHBondContact O-N 2.89Å; M473-T477 WeakPolarHBondContact O-CB 3.39Å; M473-T477 PolarHBondContact O-N 3.03Å; M473-T477 PolarHBondContact O-OG1 2.92Å
474	K	93.4	Very high	91.2	Very high	183 Å²	183	68 Å²	68	80%	0.796	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-42.3	178.7	-67.4	-177.4	-179.7	177.9	0	112	L472 T477 L478	L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 3.34Å; K474-T477 PolarHBondContact O-N 3.12Å; K474-L478 WeakPolarHBondContact O-CB 3.26Å; K474-L478 PolarHBondContact O-N 2.89Å; K474-L478 VanDerWaalsContact O-N 3.07Å
475	K	95	Very high	91.1	Very high	36 Å²	36	69.7 Å²	69.7	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-67.2	-41.3	179.1	-71	-175.5	178.4	179.2	0	111.5	F436 D438 T440 L442 Y453 L472 L478 L479	F436-K475 HydrophobicContact CD1-CG 4.43Å; F436-K475 HydrophobicContact CD2-CD 4.13Å; F436-K475 HydrophobicContact CE1-CB 4.1Å; F436-K475 HydrophobicContact CE1-CG 3.95Å; F436-K475 HydrophobicContact CE2-CB 4.03Å; F436-K475 HydrophobicContact CE2-CD 3.94Å; F436-K475 HydrophobicContact CE2-CG 4.07Å; F436-K475 HydrophobicContact CZ-CB 3.56Å; F436-K475 HydrophobicContact CZ-CD 4.18Å; F436-K475 HydrophobicContact CZ-CG 3.78Å; D438-K475 IonicContact OD1-NZ 2.71Å; D438-K475 WeakPolarHBondContact OD2-CE 3.43Å; D438-K475 IonicContact OD2-NZ 3.73Å; D438-K475 PolarHBondContact OD2-NZ 2.85Å; T440-K475 PolarHBondContact OG1-NZ 2.89Å; L442-K475 HydrophobicContact CD2-CB 4.17Å; Y453-K475 HydrophobicContact CE2-CD 4.24Å; Y453-K475 PolarHBondContact OH-NZ 3.16Å; L472-K475 HydrophobicContact CD2-CD 4.28Å; L472-K475 PolarHBondContact O-N 3.3Å; K475-L478 PolarHBondContact O-N 3.31Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 PolarHBondContact O-N 2.93Å
476	I	94.3	Very high	91	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-41.9	176.2	-69	163.6	0	0	0	111.1	L442 L451 H468 L472 M473 L478 L479 K480	L442-I476 HydrophobicContact CD2-CB 4.43Å; L442-I476 HydrophobicContact CD2-CG1 3.66Å; L451-I476 HydrophobicContact CD1-CD1 3.76Å; L451-I476 HydrophobicContact CD1-CG1 3.93Å; H468-I476 HydrophobicContact CB-CD1 3.97Å; H468-I476 WeakPolarHBondContact CD2-CD1 3.44Å; H468-I476 WeakPolarHBondContact NE2-CD1 3.4Å; L472-I476 HydrophobicContact CB-CD1 3.98Å; L472-I476 HydrophobicContact CB-CG1 4.46Å; L472-I476 PolarHBondContact O-N 2.78Å; M473-I476 PolarHBondContact O-N 2.89Å; I476-L478 VanDerWaalsContact C-N 3.3Å; I476-L478 PolarHBondContact O-N 2.95Å; I476-L479 WeakPolarHBondContact O-CB 3.46Å; I476-L479 PolarHBondContact O-N 3.11Å; I476-K480 WeakPolarHBondContact O-CG 3.31Å; I476-K480 PolarHBondContact O-N 3.03Å
477	T	93.5	Very high	90.7	Very high	86 Å²	86	67.9 Å²	67.9	53%	0.528	35%	0.352	S	S	.	.	H	α-helix	trans	-59	-45.1	175.8	-58.7	0	0	0	0	110.9	M473 K474 K480 Y481	M473-T477 WeakPolarHBondContact O-CB 3.39Å; M473-T477 PolarHBondContact O-N 3.03Å; M473-T477 PolarHBondContact O-OG1 2.92Å; K474-T477 PolarHBondContact O-N 3.12Å; T477-K480 PolarHBondContact O-N 3.38Å; T477-Y481 PolarHBondContact O-N 2.85Å
478	L	93.3	Very high	90.3	Very high	23 Å²	23	70.6 Å²	70.6	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-38.9	178.1	-175.7	60.9	0	0	0	112.5	Y421 F436 K474 K475 I476 K480 Y481 F482	Y421-L478 HydrophobicContact CD1-CD1 4.44Å; Y421-L478 HydrophobicContact CD1-CD2 3.73Å; Y421-L478 HydrophobicContact CD2-CD1 3.8Å; Y421-L478 HydrophobicContact CD2-CD2 4.27Å; Y421-L478 HydrophobicContact CE1-CD2 4.47Å; Y421-L478 HydrophobicContact CE2-CD1 4.02Å; Y421-L478 HydrophobicContact CG-CD1 4.01Å; Y421-L478 HydrophobicContact CG-CD2 3.6Å; Y421-L478 HydrophobicContact CG-CG 4.45Å; F436-L478 HydrophobicContact CD1-CD2 4.24Å; F436-L478 HydrophobicContact CE1-CD2 3.68Å; F436-L478 HydrophobicContact CE1-CG 4.46Å; K474-L478 WeakPolarHBondContact O-CB 3.26Å; K474-L478 PolarHBondContact O-N 2.89Å; K474-L478 VanDerWaalsContact O-N 3.07Å; K475-L478 PolarHBondContact O-N 3.31Å; I476-L478 VanDerWaalsContact C-N 3.3Å; I476-L478 PolarHBondContact O-N 2.95Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 2.91Å; L478-Y481 HydrophobicContact CD1-CD1 4.49Å; L478-Y481 WeakPolarHBondContact O-CB 3.38Å; L478-Y481 PolarHBondContact O-N 3.26Å; L478-F482 HydrophobicContact CD1-CD2 4.23Å; L478-F482 HydrophobicContact CD1-CE2 3.89Å; L478-F482 HydrophobicContact CD2-CE2 4.06Å; L478-F482 HydrophobicContact CG-CD2 3.92Å; L478-F482 HydrophobicContact CG-CE2 3.61Å; L478-F482 WeakPolarHBondContact O-CD2 3.31Å; L478-F482 PolarHBondContact O-N 2.81Å
479	L	93.5	Very high	89.5	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-57.7	-45.4	172	178.2	70	0	0	0	111.8	V432 V434 L442 L444 L451 K475 I476 Y481 F482 R483	V432-L479 HydrophobicContact CB-CD1 4.45Å; V432-L479 HydrophobicContact CG1-CD1 3.79Å; V434-L479 HydrophobicContact CB-CD1 4.38Å; V434-L479 HydrophobicContact CG2-CB 4.39Å; V434-L479 HydrophobicContact CG2-CD1 3.55Å; L442-L479 HydrophobicContact CD2-CB 4.24Å; L442-L479 HydrophobicContact CD2-CD2 3.73Å; L442-L479 HydrophobicContact CG-CD2 3.81Å; L444-L479 HydrophobicContact CB-CD2 3.61Å; L444-L479 HydrophobicContact CB-CG 4.27Å; L451-L479 HydrophobicContact CD2-CD2 3.73Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 PolarHBondContact O-N 2.93Å; I476-L479 WeakPolarHBondContact O-CB 3.46Å; I476-L479 PolarHBondContact O-N 3.11Å; L479-Y481 VanDerWaalsContact C-N 3.32Å; L479-Y481 PolarHBondContact O-N 2.82Å; L479-F482 PolarHBondContact O-N 2.87Å; L479-R483 PolarHBondContact O-N 3.41Å
480	K	91.3	Very high	88.7	Confident	93 Å²	93	73.9 Å²	73.9	40%	0.404	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-40.8	174.9	-71	178	178.9	-179.2	0	111.6	V465 I476 T477 L478 R483 N484	V465-K480 VanDerWaalsContact CG1-NZ 3.28Å; I476-K480 WeakPolarHBondContact O-CG 3.31Å; I476-K480 PolarHBondContact O-N 3.03Å; T477-K480 PolarHBondContact O-N 3.38Å; L478-K480 VanDerWaalsContact C-N 3.34Å; L478-K480 PolarHBondContact O-N 2.91Å; K480-R483 WeakPolarHBondContact O-CB 3.26Å; K480-R483 PolarHBondContact O-N 3.38Å; K480-N484 VanDerWaalsContact O-CG 3.29Å; K480-N484 PolarHBondContact O-N 2.89Å; K480-N484 PolarHBondContact O-OD1 2.8Å
481	Y	91.8	Very high	87.4	Confident	121 Å²	121	73 Å²	73	48%	0.475	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-49.8	174.7	177.8	-91.8	0	0	0	111.9	T477 L478 L479 R483 N484 Y485	T477-Y481 PolarHBondContact O-N 2.85Å; L478-Y481 HydrophobicContact CD1-CD1 4.49Å; L478-Y481 WeakPolarHBondContact O-CB 3.38Å; L478-Y481 PolarHBondContact O-N 3.26Å; L479-Y481 VanDerWaalsContact C-N 3.32Å; L479-Y481 PolarHBondContact O-N 2.82Å; Y481-R483 VanDerWaalsContact C-N 3.32Å; Y481-R483 PolarHBondContact O-N 3.33Å; Y481-N484 PolarHBondContact O-N 2.93Å; Y481-Y485 WeakPolarHBondContact O-CB 3.16Å; Y481-Y485 PolarHBondContact O-N 2.86Å
482	F	89.8	Confident	85.6	Confident	1 Å²	1	75.9 Å²	75.9	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-44	175.7	-79.8	-68.2	0	0	0	112.3	V415 Y417 V434 L478 L479 M486	V415-F482 HydrophobicContact CB-CD1 4.31Å; V415-F482 HydrophobicContact CB-CE1 4.38Å; Y417-F482 HydrophobicContact CD2-CD1 4.46Å; Y417-F482 AromaticContact CD2-CE1 3.61Å; Y417-F482 HydrophobicContact CD2-CE1 3.61Å; Y417-F482 HydrophobicContact CD2-CZ 4.26Å; Y417-F482 HydrophobicContact CE2-CE1 4.39Å; Y417-F482 HydrophobicContact CG-CE1 4.31Å; V434-F482 HydrophobicContact CG1-CD2 4.31Å; V434-F482 HydrophobicContact CG1-CE2 3.89Å; V434-F482 HydrophobicContact CG2-CB 4.42Å; V434-F482 HydrophobicContact CG2-CD2 3.42Å; V434-F482 VanDerWaalsContact CG2-CD2 3.42Å; V434-F482 HydrophobicContact CG2-CE2 3.87Å; V434-F482 HydrophobicContact CG2-CG 4.16Å; L478-F482 HydrophobicContact CD1-CD2 4.23Å; L478-F482 HydrophobicContact CD1-CE2 3.89Å; L478-F482 HydrophobicContact CD2-CE2 4.06Å; L478-F482 HydrophobicContact CG-CD2 3.92Å; L478-F482 HydrophobicContact CG-CE2 3.61Å; L478-F482 WeakPolarHBondContact O-CD2 3.31Å; L478-F482 PolarHBondContact O-N 2.81Å; L479-F482 PolarHBondContact O-N 2.87Å; F482-M486 HydrophobicContact CB-CE 4.35Å; F482-M486 WeakPolarHBondContact O-CB 3.35Å; F482-M486 WeakPolarHBondContact O-CE 3.38Å; F482-M486 WeakPolarHBondContact O-CG 3.34Å; F482-M486 PolarHBondContact O-N 2.94Å
483	R	88.3	Confident	83.3	Confident	100 Å²	100	78.4 Å²	78.4	38%	0.377	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-53	176.3	173.8	178.8	175.4	-169.5	1.4	111.5	V432 L479 K480 Y481 M486 S487	V432-R483 HydrophobicContact CG1-CB 4.25Å; V432-R483 HydrophobicContact CG2-CB 4.06Å; V432-R483 HydrophobicContact CG2-CG 4.05Å; L479-R483 PolarHBondContact O-N 3.41Å; K480-R483 WeakPolarHBondContact O-CB 3.26Å; K480-R483 PolarHBondContact O-N 3.38Å; Y481-R483 VanDerWaalsContact C-N 3.32Å; Y481-R483 PolarHBondContact O-N 3.33Å; R483-M486 PolarHBondContact O-N 2.91Å; R483-S487 WeakPolarHBondContact O-CB 3.24Å; R483-S487 PolarHBondContact O-N 2.92Å
484	N	87.8	Confident	80.9	Confident	85 Å²	85	75.3 Å²	75.3	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-62.8	-46.7	-177.5	-68.2	-2.9	0	0	0	110.5	K480 Y481 M486 S487 E488	K480-N484 VanDerWaalsContact O-CG 3.29Å; K480-N484 PolarHBondContact O-N 2.89Å; K480-N484 PolarHBondContact O-OD1 2.8Å; Y481-N484 PolarHBondContact O-N 2.93Å; N484-M486 PolarHBondContact O-N 2.95Å; N484-S487 PolarHBondContact O-N 2.9Å; N484-S487 VanDerWaalsContact O-N 3.12Å; N484-E488 WeakPolarHBondContact O-CB 3.11Å; N484-E488 WeakPolarHBondContact O-CG 3.31Å; N484-E488 PolarHBondContact O-N 3.15Å
485	Y	87.2	Confident	78.5	Confident	73 Å²	73	70 Å²	70	29%	0.286	37%	0.366	S	S	.	.	H	α-helix	trans	-55.6	-50.5	176.5	-177.3	-88.2	0	0	0	111.9	V415 Y481 S487 E488 H489	V415-Y485 HydrophobicContact CG1-CD1 4.25Å; V415-Y485 HydrophobicContact CG1-CE1 3.95Å; V415-Y485 HydrophobicContact CG2-CD1 3.85Å; V415-Y485 HydrophobicContact CG2-CE1 3.98Å; Y481-Y485 WeakPolarHBondContact O-CB 3.16Å; Y481-Y485 PolarHBondContact O-N 2.86Å; Y485-S487 VanDerWaalsContact C-N 3.31Å; Y485-S487 PolarHBondContact O-N 2.82Å; Y485-E488 PolarHBondContact O-N 2.8Å; Y485-H489 AromaticContact CD2-ND1 3.76Å; Y485-H489 HydrophobicContact CE1-CB 4.41Å; Y485-H489 VanDerWaalsContact O-CB 3.31Å; Y485-H489 WeakPolarHBondContact O-CB 3.46Å; Y485-H489 PolarHBondContact O-N 2.93Å; Y485-H489 PolarHBondContact O-ND1 2.89Å
486	M	85	Confident	76	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-32.8	178.4	-74	-169.7	-73.1	0	0	113.1	K413 V415 Q426 V432 F482 R483 N484 L490	K413-M486 HydrophobicContact CB-CG 4.5Å; K413-M486 HydrophobicContact CB-SD 3.86Å; K413-M486 HydrophobicContact CD-CB 4.21Å; K413-M486 PolarHBondContact NZ-O 2.83Å; V415-M486 HydrophobicContact CG2-CG 3.46Å; V415-M486 VanDerWaalsContact CG2-CG 3.46Å; V415-M486 HydrophobicContact CG2-SD 4.01Å; Q426-M486 HydrophobicContact CB-CE 4.1Å; Q426-M486 HydrophobicContact CB-SD 3.99Å; V432-M486 HydrophobicContact CG1-CE 3.7Å; V432-M486 HydrophobicContact CG2-CE 4.42Å; F482-M486 HydrophobicContact CB-CE 4.35Å; F482-M486 WeakPolarHBondContact O-CB 3.35Å; F482-M486 WeakPolarHBondContact O-CE 3.38Å; F482-M486 WeakPolarHBondContact O-CG 3.34Å; F482-M486 PolarHBondContact O-N 2.94Å; R483-M486 PolarHBondContact O-N 2.91Å; N484-M486 PolarHBondContact O-N 2.95Å; M486-L490 HydrophobicContact CB-CD1 4.12Å; M486-L490 HydrophobicContact CG-CD1 3.82Å; M486-L490 WeakPolarHBondContact O-CB 3.39Å; M486-L490 PolarHBondContact O-N 2.99Å
487	S	80.6	Confident	74.1	Confident	85 Å²	85	79.1 Å²	79.1	59%	0.594	42%	0.415	S	S	*	.	H	α-helix	trans	-70.4	-42.2	177.7	-171.5	0	0	0	0	112	R483 N484 Y485	R483-S487 WeakPolarHBondContact O-CB 3.24Å; R483-S487 PolarHBondContact O-N 2.92Å; N484-S487 PolarHBondContact O-N 2.9Å; N484-S487 VanDerWaalsContact O-N 3.12Å; Y485-S487 VanDerWaalsContact C-N 3.31Å; Y485-S487 PolarHBondContact O-N 2.82Å
488	E	81.3	Confident	71.9	Confident	140 Å²	140	79.6 Å²	79.6	65%	0.654	42%	0.418	S	S	*	.	H	α-helix	trans	-80.8	-36.4	-175.6	-71	168.1	-171.3	0	0	112.8	N484 Y485	N484-E488 WeakPolarHBondContact O-CB 3.11Å; N484-E488 WeakPolarHBondContact O-CG 3.31Å; N484-E488 PolarHBondContact O-N 3.15Å; Y485-E488 PolarHBondContact O-N 2.8Å
489	H	72.6	Confident	70.1	Confident	114 Å²	114	83.1 Å²	83.1	53%	0.528	44%	0.442	S	S	.	.	H	α-helix	trans	-109.7	-5.8	-166.6	-57.6	82.4	0	0	0	114.2	Y485	Y485-H489 AromaticContact CD2-ND1 3.76Å; Y485-H489 HydrophobicContact CE1-CB 4.41Å; Y485-H489 VanDerWaalsContact O-CB 3.31Å; Y485-H489 WeakPolarHBondContact O-CB 3.46Å; Y485-H489 PolarHBondContact O-N 2.93Å; Y485-H489 PolarHBondContact O-ND1 2.89Å
490	L	75.8	Confident	68.4	Low	63 Å²	63	90.2 Å²	90.2	33%	0.33	47%	0.469	S	S	.	.	S	Bend	trans	-125.7	140.5	-179.8	-53.2	174.8	0	0	0	111	K413 V415 M486 K492	K413-L490 HydrophobicContact CB-CD1 3.79Å; K413-L490 HydrophobicContact CD-CB 3.76Å; K413-L490 HydrophobicContact CD-CD1 4.01Å; K413-L490 WeakPolarHBondContact CE-O 3.38Å; K413-L490 HydrophobicContact CG-CB 4.19Å; K413-L490 HydrophobicContact CG-CD1 4.01Å; K413-L490 PolarHBondContact NZ-O 2.91Å; V415-L490 HydrophobicContact CG2-CD1 4.33Å; M486-L490 HydrophobicContact CB-CD1 4.12Å; M486-L490 HydrophobicContact CG-CD1 3.82Å; M486-L490 WeakPolarHBondContact O-CB 3.39Å; M486-L490 PolarHBondContact O-N 2.99Å; L490-K492 PolarHBondContact O-N 3.2Å
491	L	62.2	Low	66.6	Low	125 Å²	125	92.6 Å²	92.6	65%	0.654	48%	0.481	S	S	*	.			trans	-55	133.7	-177.8	-68.9	168.4	0	0	0	112.6	K413 R557	K413-L491 WeakPolarHBondContact CE-O 3.44Å; K413-L491 PolarHBondContact NZ-O 3.35Å; L491-R557 VanDerWaalsContact CD1-NH2 3.31Å
492	K	54	Low	64.9	Low	159 Å²	159	87 Å²	87	69%	0.691	46%	0.46	S	S	*	.			trans	-65.3	133.6	179.3	-165.7	174.4	-178	178.5	0	110.6	L490	L490-K492 PolarHBondContact O-N 3.2Å
493	A	46.6	Very low	63.8	Low	62 Å²	62	89.9 Å²	89.9	51%	0.512	48%	0.476	S	S	.	.			trans	-147.2	57.5	-179.8	0	0	0	0	0	110.9
494	G	42.1	Very low	62.5	Low	28 Å²	28	92 Å²	92	29%	0.289	49%	0.49	S	S	.	.			trans	-161.9	149.3	179.6	0	0	0	0	0	112.8
495	A	43	Very low	61.8	Low	72 Å²	72	88.9 Å²	88.9	60%	0.595	47%	0.473	S	S	*	.			trans	-86.2	148.7	171.7	0	0	0	0	0	110.1	N430 I497	N430-A495 PolarHBondContact ND2-O 2.98Å; N430-A495 VanDerWaalsContact ND2-O 3.16Å; A495-I497 PolarHBondContact O-N 3.32Å
496	N	42.9	Very low	61.3	Low	140 Å²	140	85.8 Å²	85.8	75%	0.749	46%	0.462	S	S	*	.			trans	-72.6	116.4	171.6	-69.3	-9.3	0	0	0	108.4
497	I	54.2	Low	61.2	Low	91 Å²	91	88.9 Å²	88.9	47%	0.467	47%	0.474	S	S	.	.			trans	-104.8	120.6	175.8	-59	170	0	0	0	107.8	D429 N446 A495	D429-I497 HydrophobicContact CB-CD1 4.32Å; N446-I497 PolarHBondContact ND2-O 3.08Å; A495-I497 PolarHBondContact O-N 3.32Å
498	T	47.8	Very low	61.4	Low	96 Å²	96	85 Å²	85	59%	0.589	45%	0.447	S	S	*	.			trans	-76.1	134.4	173.6	50.5	0	0	0	0	110.1	R500	T498-R500 PolarHBondContact O-N 3.38Å
499	P	54.2	Low	61.8	Low	96 Å²	96	78.3 Å²	78.3	62%	0.623	42%	0.416	S	S	*	.			trans	-56.7	133.9	173.2	-21.8	32.1	0	0	0	111	D447	D447-P499 HydrophobicContact CB-CG 4.26Å
500	R	57.9	Low	62.7	Low	151 Å²	151	74.1 Å²	74.1	57%	0.57	40%	0.395	S	S	*	.			trans	-113.7	159.9	173.5	-64.7	-177.9	-176.9	-178.1	0.1	109.1	D187 T498 G502 D503	D187-R500 IonicContact OD1-NH1 2.61Å; D187-R500 PolarHBondContact OD1-NH1 3.2Å; T498-R500 PolarHBondContact O-N 3.38Å; R500-G502 PolarHBondContact O-N 3.42Å; R500-D503 PolarHBondContact N-OD2 2.8Å; R500-D503 PolarHBondContact O-N 2.75Å
501	E	52.8	Low	63.6	Low	142 Å²	142	71.1 Å²	71.1	66%	0.664	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	133.5	174.7	-151.4	-154.4	118.8	0	0	107.3	R313 D503	R313-E501 WeakPolarHBondContact CD-O 3.23Å; R313-E501 IonicContact CZ-OE1 3.36Å; R313-E501 VanDerWaalsContact NE-CB 3.34Å; R313-E501 PolarHBondContact NE-O 3.48Å; R313-E501 IonicContact NE-OE1 2.75Å; R313-E501 PolarHBondContact NH1-O 3.28Å; R313-E501 IonicContact NH2-OE1 3.53Å; R313-E501 PolarHBondContact NH2-OE1 2.73Å; E501-D503 VanDerWaalsContact C-N 3.26Å; E501-D503 PolarHBondContact O-N 3.36Å; E501-D503 VanDerWaalsContact O-N 3.09Å
502	G	58	Low	65	Low	3 Å²	3	68.5 Å²	68.5	3%	0.031	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	38.4	39.7	179.5	0	0	0	0	0	119.1	R313 R500 E504 L505	R313-G502 PolarHBondContact NH1-O 2.95Å; R500-G502 PolarHBondContact O-N 3.42Å; G502-E504 PolarHBondContact O-N 2.74Å; G502-L505 PolarHBondContact O-N 3.46Å
503	D	65.3	Low	66.8	Low	62 Å²	62	63.6 Å²	63.6	33%	0.332	34%	0.344	S	S	.	.	G	3₁₀ helix		-47.7	-16.1	129.1	-69.5	-26.9	0	0	0	113.1	R500 E501 L505 A506	R500-D503 PolarHBondContact N-OD2 2.8Å; R500-D503 PolarHBondContact O-N 2.75Å; E501-D503 VanDerWaalsContact C-N 3.26Å; E501-D503 PolarHBondContact O-N 3.36Å; E501-D503 VanDerWaalsContact O-N 3.09Å; D503-L505 PolarHBondContact O-N 2.57Å; D503-A506 WeakPolarHBondContact O-CA 3.37Å; D503-A506 WeakPolarHBondContact O-CB 3.22Å; D503-A506 PolarHBondContact O-N 3.07Å
504	E	62.4	Low	69.1	Low	145 Å²	145	62.9 Å²	62.9	68%	0.678	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-51.3	-32.4	167.3	-60.2	165.5	-130.1	0	0	114.2	G502 A506	G502-E504 PolarHBondContact O-N 2.74Å; E504-A506 PolarHBondContact O-N 3.13Å
505	L	71	Confident	71.7	Confident	20 Å²	20	64 Å²	64	11%	0.105	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-76.7	-8.3	177	-59.4	174.4	0	0	0	112.1	P311 P315 P323 R324 F325 G502 D503	P311-L505 HydrophobicContact CB-CD1 4.15Å; P315-L505 HydrophobicContact CG-CB 3.91Å; P323-L505 HydrophobicContact CB-CB 4.36Å; P323-L505 WeakPolarHBondContact CB-O 3.45Å; R324-L505 PolarHBondContact N-O 2.85Å; R324-L505 WeakPolarHBondContact O-CD2 3.46Å; F325-L505 HydrophobicContact CD1-CD1 4.4Å; F325-L505 HydrophobicContact CD1-CD2 3.84Å; F325-L505 HydrophobicContact CE1-CD1 3.96Å; F325-L505 HydrophobicContact CE1-CD2 4.2Å; G502-L505 PolarHBondContact O-N 3.46Å; D503-L505 PolarHBondContact O-N 2.57Å
506	A	77.6	Confident	74.1	Confident	7 Å²	7	66.7 Å²	66.7	6%	0.058	32%	0.32	C	S	.	.			trans	-67.6	141.4	-171.6	0	0	0	0	0	111.2	P315 T317 R324 Y445 D503 E504	P315-A506 HydrophobicContact CB-CB 3.87Å; P315-A506 HydrophobicContact CG-CB 4.07Å; T317-A506 HydrophobicContact CG2-CB 3.98Å; T317-A506 WeakPolarHBondContact OG1-CA 3.37Å; R324-A506 PolarHBondContact NH2-O 2.97Å; Y445-A506 HydrophobicContact CE1-CB 4.21Å; Y445-A506 PolarHBondContact OH-O 2.89Å; D503-A506 WeakPolarHBondContact O-CA 3.37Å; D503-A506 WeakPolarHBondContact O-CB 3.22Å; D503-A506 PolarHBondContact O-N 3.07Å; E504-A506 PolarHBondContact O-N 3.13Å
507	R	83.3	Confident	76.6	Confident	65 Å²	65	61.7 Å²	61.7	25%	0.245	30%	0.295	C	S	.	.			trans	-133.3	114.7	172.3	-175.4	169.1	-179.4	-156.5	-2.2	107.8	T317 I321 R324 E460	T317-R507 WeakPolarHBondContact CB-O 3.44Å; T317-R507 PolarHBondContact OG1-N 2.84Å; I321-R507 HydrophobicContact CG2-CB 4.03Å; I321-R507 HydrophobicContact CG2-CG 3.88Å; R324-R507 HydrophobicContact CG-CB 4.49Å; R324-R507 VanDerWaalsContact NH1-CG 3.35Å; E460-R507 VanDerWaalsContact CD-NH2 3.3Å; E460-R507 IonicContact OE1-CZ 3.63Å; E460-R507 IonicContact OE1-NE 2.76Å; E460-R507 PolarHBondContact OE1-NE 2.8Å; E460-R507 IonicContact OE1-NH2 3.55Å; E460-R507 PolarHBondContact OE1-NH2 2.93Å; E460-R507 IonicContact OE2-CZ 3.54Å; E460-R507 IonicContact OE2-NE 3.5Å; E460-R507 PolarHBondContact OE2-NE 3.46Å; E460-R507 VanDerWaalsContact OE2-NE 3.13Å; E460-R507 IonicContact OE2-NH2 2.72Å
508	L	85.3	Confident	78.5	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	32%	0.317	C	S	.	.			trans	-81	149.4	-176.9	-67.1	171.6	0	0	0	111.7	T317 I321 F409 L427 D429 S431 I443 Y445	T317-L508 HydrophobicContact CG2-CD2 3.86Å; I321-L508 VanDerWaalsContact CD1-C 3.47Å; F409-L508 HydrophobicContact CE1-CD2 3.94Å; F409-L508 HydrophobicContact CZ-CD2 4.31Å; L427-L508 HydrophobicContact CD1-CB 4.38Å; D429-L508 WeakPolarHBondContact OD2-CD2 3.42Å; S431-L508 VanDerWaalsContact OG-CD1 3.31Å; S431-L508 WeakPolarHBondContact OG-CD1 3.35Å; I443-L508 HydrophobicContact CG2-CD1 3.94Å; Y445-L508 HydrophobicContact CD1-CD1 3.72Å; Y445-L508 HydrophobicContact CD1-CG 4.18Å; Y445-L508 HydrophobicContact CD2-CD1 3.94Å; Y445-L508 HydrophobicContact CE1-CD1 3.76Å; Y445-L508 HydrophobicContact CE1-CG 3.79Å; Y445-L508 HydrophobicContact CE2-CD1 3.95Å; Y445-L508 HydrophobicContact CE2-CG 4.5Å; Y445-L508 HydrophobicContact CG-CD1 3.79Å
509	P	88.7	Confident	80.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.311	C	S	.	.			trans	-64.8	138.1	167.3	17.9	-19.3	0	0	0	109.3	I321 F409 L427 S526 N527	I321-P509 HydrophobicContact CD1-CB 3.66Å; I321-P509 HydrophobicContact CD1-CG 4.01Å; F409-P509 HydrophobicContact CB-CG 3.41Å; F409-P509 VanDerWaalsContact CB-CG 3.41Å; F409-P509 HydrophobicContact CD1-CG 4.14Å; F409-P509 HydrophobicContact CD2-CG 4Å; F409-P509 HydrophobicContact CG-CG 3.59Å; L427-P509 HydrophobicContact CD1-CG 4.19Å; L427-P509 WeakPolarHBondContact CD1-O 3.35Å; P509-S526 WeakPolarHBondContact CA-OG 3.33Å; P509-N527 HydrophobicContact CB-CB 4.48Å
510	Y	91.8	Very high	82.8	Confident	25 Å²	25	63.1 Å²	63.1	10%	0.098	28%	0.281	C	S	.	.			trans	-122.2	156.4	176.4	60.8	-97.9	0	0	0	110.8	Y425 I443 I454 R512 L525 S526	Y425-Y510 VanDerWaalsContact OH-CA 3.27Å; Y425-Y510 WeakPolarHBondContact OH-CA 3.35Å; Y425-Y510 WeakPolarHBondContact OH-CB 2.84Å; I443-Y510 HydrophobicContact CD1-CG 4.44Å; I454-Y510 HydrophobicContact CD1-CD1 3.33Å; I454-Y510 HydrophobicContact CD1-CD2 3.96Å; I454-Y510 HydrophobicContact CD1-CE1 3.44Å; I454-Y510 VanDerWaalsContact CD1-CE1 3.44Å; I454-Y510 HydrophobicContact CD1-CE2 4.03Å; I454-Y510 HydrophobicContact CD1-CG 3.6Å; Y510-R512 HydrophobicContact CE2-CG 4.05Å; Y510-R512 PolarHBondContact O-N 3.38Å; Y510-L525 CarbonylContact O-C 3.34Å; Y510-L525 WeakPolarHBondContact O-CA 3.26Å; Y510-S526 VanDerWaalsContact CD1-OG 3.26Å; Y510-S526 WeakPolarHBondContact CD1-OG 3.31Å; Y510-S526 VanDerWaalsContact CE1-CB 3.46Å; Y510-S526 WeakPolarHBondContact CE1-OG 3.48Å; Y510-S526 VanDerWaalsContact CZ-CB 3.49Å; Y510-S526 PolarHBondContact N-OG 3.05Å; Y510-S526 WeakPolarHBondContact O-CB 3.33Å; Y510-S526 PolarHBondContact O-N 3.44Å
511	L	93.7	Very high	84.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	113.2	176.3	-169	67.9	0	0	0	110.5	L423 Y425 L435 R441 T513 W514 L523 L525	L423-L511 HydrophobicContact CB-CD2 4.49Å; L423-L511 HydrophobicContact CD2-CD2 3.34Å; L423-L511 HydrophobicContact CG-CD2 4.49Å; Y425-L511 HydrophobicContact CD1-CB 4.04Å; Y425-L511 HydrophobicContact CD1-CD2 4.21Å; Y425-L511 HydrophobicContact CE1-CB 3.6Å; Y425-L511 HydrophobicContact CE1-CD2 4.49Å; Y425-L511 PolarHBondContact OH-N 3.03Å; L435-L511 HydrophobicContact CB-CD2 4.27Å; L435-L511 HydrophobicContact CD2-CD2 4.11Å; L435-L511 HydrophobicContact CD2-CG 4.22Å; R441-L511 WeakPolarHBondContact CD-O 3.43Å; R441-L511 PolarHBondContact NE-O 3.11Å; L511-T513 WeakPolarHBondContact CD1-O 3.27Å; L511-W514 HydrophobicContact CD1-CB 4.49Å; L511-W514 HydrophobicContact CD2-CB 4.17Å; L511-W514 HydrophobicContact CD2-CG 4.17Å; L511-L523 HydrophobicContact CD1-CB 3.83Å; L511-L523 HydrophobicContact CD1-CD2 3.96Å; L511-L523 HydrophobicContact CD2-CD2 4.28Å; L511-L525 HydrophobicContact CB-CD2 4.46Å; L511-L525 HydrophobicContact CD1-CD2 4.09Å
512	R	91.6	Very high	86.9	Confident	70 Å²	70	49.1 Å²	49.1	26%	0.264	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-52.4	174.3	-76.6	-175.1	174.9	-124.9	-6	110.3	D371 R441 Y510 H524	D371-R512 IonicContact OD1-CZ 2.76Å; D371-R512 IonicContact OD1-NE 3.01Å; D371-R512 IonicContact OD1-NH1 2.81Å; D371-R512 PolarHBondContact OD1-NH1 3.42Å; D371-R512 IonicContact OD2-NH1 3.98Å; D371-R512 PolarHBondContact OD2-NH1 2.88Å; R441-R512 PolarHBondContact NH2-O 2.91Å; Y510-R512 HydrophobicContact CE2-CG 4.05Å; Y510-R512 PolarHBondContact O-N 3.38Å; R512-H524 WeakPolarHBondContact CB-O 3.41Å; R512-H524 PolarHBondContact N-O 2.74Å
513	T	92.9	Very high	88.7	Confident	56 Å²	56	49 Å²	49	34%	0.344	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.4	-178.9	-171.6	0	0	0	0	110.5	L511 H524 L590	L511-T513 WeakPolarHBondContact CD1-O 3.27Å; T513-H524 HydrophobicContact CG2-CB 3.86Å; T513-H524 PolarHBondContact N-O 3.07Å; T513-H524 PolarHBondContact O-N 2.77Å; T513-L590 HydrophobicContact CG2-CD2 3.87Å
514	W	95.5	Very high	90.1	Very high	48 Å²	48	46.3 Å²	46.3	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	160.5	174.8	67.3	-73.2	0	0	0	110.3	D416 S418 L423 L511 R516 I521 I522 L523	D416-W514 WeakPolarHBondContact OD1-CH2 3.43Å; S418-W514 VanDerWaalsContact CB-CZ2 3.46Å; S418-W514 WeakPolarHBondContact OG-CH2 3.46Å; L423-W514 HydrophobicContact CB-CD2 4.28Å; L423-W514 HydrophobicContact CB-CZ2 4.09Å; L423-W514 HydrophobicContact CD1-CD2 3.9Å; L423-W514 HydrophobicContact CD1-CE3 3.91Å; L423-W514 HydrophobicContact CD1-CH2 3.98Å; L423-W514 HydrophobicContact CD1-CZ2 3.99Å; L423-W514 HydrophobicContact CD1-CZ3 3.92Å; L423-W514 HydrophobicContact CD2-CB 4.37Å; L423-W514 HydrophobicContact CD2-CD2 3.98Å; L423-W514 HydrophobicContact CD2-CG 3.86Å; L423-W514 HydrophobicContact CG-CD2 4.28Å; L511-W514 HydrophobicContact CD1-CB 4.49Å; L511-W514 HydrophobicContact CD2-CB 4.17Å; L511-W514 HydrophobicContact CD2-CG 4.17Å; W514-R516 HydrophobicContact CE3-CG 4.2Å; W514-R516 HydrophobicContact CZ3-CG 3.78Å; W514-I521 HydrophobicContact CE3-CD1 3.86Å; W514-I521 HydrophobicContact CE3-CG1 4.19Å; W514-I521 HydrophobicContact CZ3-CD1 4.3Å; W514-I522 WeakPolarHBondContact CA-O 3.48Å; W514-I522 WeakPolarHBondContact CB-O 3.47Å; W514-L523 HydrophobicContact CB-CD2 3.83Å
515	F	95.2	Very high	91.5	Very high	50 Å²	50	39.4 Å²	39.4	22%	0.219	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	164	165.3	64.7	-87.8	0	0	0	110.1	T517 I522 M586 K589 L590	F515-T517 HydrophobicContact CD2-CG2 4.25Å; F515-T517 HydrophobicContact CE2-CG2 3.9Å; F515-I522 HydrophobicContact CD1-CB 4.24Å; F515-I522 HydrophobicContact CD1-CG2 4.49Å; F515-I522 HydrophobicContact CD2-CD1 4.08Å; F515-I522 HydrophobicContact CE1-CB 3.89Å; F515-I522 HydrophobicContact CE1-CG1 4.26Å; F515-I522 HydrophobicContact CE1-CG2 3.87Å; F515-I522 HydrophobicContact CE2-CB 4.28Å; F515-I522 HydrophobicContact CE2-CD1 3.62Å; F515-I522 HydrophobicContact CE2-CG1 3.93Å; F515-I522 HydrophobicContact CZ-CB 3.91Å; F515-I522 HydrophobicContact CZ-CD1 4Å; F515-I522 HydrophobicContact CZ-CG1 3.75Å; F515-I522 HydrophobicContact CZ-CG2 4.13Å; F515-I522 PolarHBondContact N-O 3.49Å; F515-I522 VanDerWaalsContact N-O 3.12Å; F515-I522 PolarHBondContact O-N 3.26Å; F515-M586 HydrophobicContact CE2-SD 3.77Å; F515-M586 HydrophobicContact CZ-CB 4.32Å; F515-M586 HydrophobicContact CZ-SD 3.93Å; F515-K589 HydrophobicContact CZ-CB 4.19Å; F515-L590 HydrophobicContact CD1-CD2 3.98Å; F515-L590 HydrophobicContact CE1-CD2 3.56Å; F515-L590 HydrophobicContact CE1-CG 3.8Å
516	R	94.3	Very high	92.5	Very high	129 Å²	129	39.4 Å²	39.4	49%	0.487	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.9	176.2	-72.4	172.8	69.1	179.9	1.5	111.1	D416 W514 I521 F535	D416-R516 WeakPolarHBondContact OD2-CD 3.05Å; D416-R516 IonicContact OD2-CZ 2.64Å; D416-R516 IonicContact OD2-NE 3.13Å; D416-R516 IonicContact OD2-NH1 3.87Å; D416-R516 PolarHBondContact OD2-NH1 2.7Å; W514-R516 HydrophobicContact CE3-CG 4.2Å; W514-R516 HydrophobicContact CZ3-CG 3.78Å; R516-I521 HydrophobicContact CG-CB 4Å; R516-I521 HydrophobicContact CG-CD1 4.09Å; R516-I521 HydrophobicContact CG-CG1 3.84Å; R516-F535 HydrophobicContact CG-CZ 4.37Å
517	T	95.2	Very high	92.9	Very high	35 Å²	35	40.8 Å²	40.8	22%	0.215	18%	0.182	C	C	.	.			trans	-115.4	-175.6	162.6	74.8	0	0	0	0	108.8	F515 S519 A520 I522 Y582 M586	F515-T517 HydrophobicContact CD2-CG2 4.25Å; F515-T517 HydrophobicContact CE2-CG2 3.9Å; T517-S519 PolarHBondContact O-N 2.66Å; T517-S519 PolarHBondContact OG1-N 3.24Å; T517-A520 PolarHBondContact N-O 3.17Å; T517-A520 PolarHBondContact OG1-N 2.88Å; T517-A520 VanDerWaalsContact OG1-N 3.1Å; T517-A520 PolarHBondContact OG1-O 2.69Å; T517-I522 HydrophobicContact CG2-CD1 3.97Å; T517-Y582 WeakPolarHBondContact CB-OH 3.26Å; T517-Y582 VanDerWaalsContact CG2-OH 3.29Å; T517-Y582 WeakPolarHBondContact CG2-OH 3.41Å; T517-Y582 PolarHBondContact OG1-OH 2.82Å; T517-M586 HydrophobicContact CG2-SD 3.69Å
518	R	94.5	Very high	93.1	Very high	249 Å²	249	37.9 Å²	37.9	94%	0.94	17%	0.173	S	C	*	.	S	Bend	trans	-65.2	-22.1	170.4	-63.3	-177.7	-177.4	170.9	-0	113
519	S	95.5	Very high	93.5	Very high	64 Å²	64	37.9 Å²	37.9	45%	0.448	17%	0.173	S	C	.	.	S	Bend	trans	-110.3	-25.7	-169.5	-52.7	0	0	0	0	113.8	T517 F535	T517-S519 PolarHBondContact O-N 2.66Å; T517-S519 PolarHBondContact OG1-N 3.24Å; S519-F535 VanDerWaalsContact C-CD2 3.5Å; S519-F535 PolarHBondContact O-N 3.48Å
520	A	97.3	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	163.3	-174.3	0	0	0	0	0	113.2	T517 I522 I532 N533 F534 F535 Y582	T517-A520 PolarHBondContact N-O 3.17Å; T517-A520 PolarHBondContact OG1-N 2.88Å; T517-A520 VanDerWaalsContact OG1-N 3.1Å; T517-A520 PolarHBondContact OG1-O 2.69Å; A520-I522 HydrophobicContact CB-CD1 4.39Å; A520-I532 HydrophobicContact CB-CG2 3.69Å; A520-N533 CarbonylContact C-O 3.59Å; A520-N533 WeakPolarHBondContact CA-O 3.5Å; A520-N533 VanDerWaalsContact CB-O 3.27Å; A520-N533 WeakPolarHBondContact CB-O 3.41Å; A520-F534 HydrophobicContact CB-CD1 3.97Å; A520-F534 HydrophobicContact CB-CE1 4.33Å; A520-F534 HydrophobicContact CB-CG 4.39Å; A520-F535 VanDerWaalsContact C-CE2 3.42Å; A520-Y582 HydrophobicContact CB-CE1 3.99Å
521	I	97.3	Very high	94.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.8	161	-173.5	168.3	0	0	0	109.6	W414 L423 W514 R516 L523 I532 N533 F535	W414-I521 HydrophobicContact CD2-CD1 3.9Å; W414-I521 HydrophobicContact CD2-CG2 4.38Å; W414-I521 HydrophobicContact CE3-CD1 3.61Å; W414-I521 HydrophobicContact CH2-CD1 4.13Å; W414-I521 HydrophobicContact CH2-CG2 4.22Å; W414-I521 HydrophobicContact CZ2-CB 4.42Å; W414-I521 HydrophobicContact CZ2-CD1 4.4Å; W414-I521 HydrophobicContact CZ2-CG2 3.65Å; W414-I521 HydrophobicContact CZ3-CD1 3.73Å; L423-I521 HydrophobicContact CD1-CD1 4.14Å; W514-I521 HydrophobicContact CE3-CD1 3.86Å; W514-I521 HydrophobicContact CE3-CG1 4.19Å; W514-I521 HydrophobicContact CZ3-CD1 4.3Å; R516-I521 HydrophobicContact CG-CB 4Å; R516-I521 HydrophobicContact CG-CD1 4.09Å; R516-I521 HydrophobicContact CG-CG1 3.84Å; I521-L523 HydrophobicContact CD1-CD2 3.95Å; I521-L523 HydrophobicContact CG1-CD2 4.02Å; I521-L523 HydrophobicContact CG1-CG 4.35Å; I521-I532 WeakPolarHBondContact O-CA 3.26Å; I521-N533 HydrophobicContact CG2-CB 3.71Å; I521-N533 PolarHBondContact N-O 2.99Å; I521-N533 PolarHBondContact O-N 2.96Å; I521-F535 HydrophobicContact CB-CE1 4.05Å; I521-F535 HydrophobicContact CB-CZ 3.89Å; I521-F535 HydrophobicContact CG2-CE1 4.01Å; I521-F535 HydrophobicContact CG2-CZ 4.36Å; I521-F535 VanDerWaalsContact N-CZ 3.34Å
522	I	97.5	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.9	179.9	-61.4	72.7	0	0	0	107.7	W514 F515 T517 A520 V530 I532 M586 L590	W514-I522 WeakPolarHBondContact CA-O 3.48Å; W514-I522 WeakPolarHBondContact CB-O 3.47Å; F515-I522 HydrophobicContact CD1-CB 4.24Å; F515-I522 HydrophobicContact CD1-CG2 4.49Å; F515-I522 HydrophobicContact CD2-CD1 4.08Å; F515-I522 HydrophobicContact CE1-CB 3.89Å; F515-I522 HydrophobicContact CE1-CG1 4.26Å; F515-I522 HydrophobicContact CE1-CG2 3.87Å; F515-I522 HydrophobicContact CE2-CB 4.28Å; F515-I522 HydrophobicContact CE2-CD1 3.62Å; F515-I522 HydrophobicContact CE2-CG1 3.93Å; F515-I522 HydrophobicContact CZ-CB 3.91Å; F515-I522 HydrophobicContact CZ-CD1 4Å; F515-I522 HydrophobicContact CZ-CG1 3.75Å; F515-I522 HydrophobicContact CZ-CG2 4.13Å; F515-I522 PolarHBondContact N-O 3.49Å; F515-I522 VanDerWaalsContact N-O 3.12Å; F515-I522 PolarHBondContact O-N 3.26Å; T517-I522 HydrophobicContact CG2-CD1 3.97Å; A520-I522 HydrophobicContact CB-CD1 4.39Å; I522-V530 HydrophobicContact CG2-CG1 4.06Å; I522-I532 HydrophobicContact CG1-CG1 4.34Å; I522-M586 HydrophobicContact CD1-CG 4.05Å; I522-M586 HydrophobicContact CD1-SD 3.86Å; I522-M586 HydrophobicContact CG1-CB 3.93Å; I522-M586 HydrophobicContact CG1-CG 3.75Å; I522-M586 HydrophobicContact CG1-SD 4.11Å; I522-L590 HydrophobicContact CG2-CD1 4.03Å; I522-L590 HydrophobicContact CG2-CG 4.44Å
523	L	96.7	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.5	-175.3	-58	170.3	0	0	0	108.8	V411 L423 L511 W514 I521 V530 Q531	V411-L523 HydrophobicContact CB-CD1 3.92Å; V411-L523 HydrophobicContact CG1-CD1 3.93Å; V411-L523 HydrophobicContact CG2-CD1 4.1Å; L423-L523 HydrophobicContact CD2-CD2 3.74Å; L511-L523 HydrophobicContact CD1-CB 3.83Å; L511-L523 HydrophobicContact CD1-CD2 3.96Å; L511-L523 HydrophobicContact CD2-CD2 4.28Å; W514-L523 HydrophobicContact CB-CD2 3.83Å; I521-L523 HydrophobicContact CD1-CD2 3.95Å; I521-L523 HydrophobicContact CG1-CD2 4.02Å; I521-L523 HydrophobicContact CG1-CG 4.35Å; L523-V530 WeakPolarHBondContact O-CA 3.41Å; L523-Q531 HydrophobicContact CB-CB 4.3Å; L523-Q531 PolarHBondContact N-O 3.07Å; L523-Q531 PolarHBondContact O-N 3.1Å
524	H	94.9	Very high	94.7	Very high	5 Å²	5	32 Å²	32	2%	0.023	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.3	177.7	178.3	-145.4	0	0	0	110.1	D371 R512 T513 L590	D371-H524 IonicContact OD1-CE1 3.73Å; R512-H524 WeakPolarHBondContact CB-O 3.41Å; R512-H524 PolarHBondContact N-O 2.74Å; T513-H524 HydrophobicContact CG2-CB 3.86Å; T513-H524 PolarHBondContact N-O 3.07Å; T513-H524 PolarHBondContact O-N 2.77Å; H524-L590 HydrophobicContact CB-CD1 4.32Å; H524-L590 HydrophobicContact CB-CD2 4.44Å
525	L	92.7	Very high	94.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	159.6	-176.9	-64.4	-177.1	0	0	0	112.5	V411 Y510 L511 N527 G528 S529	V411-L525 HydrophobicContact CG2-CD1 4.41Å; V411-L525 HydrophobicContact CG2-CD2 3.98Å; Y510-L525 CarbonylContact O-C 3.34Å; Y510-L525 WeakPolarHBondContact O-CA 3.26Å; L511-L525 HydrophobicContact CB-CD2 4.46Å; L511-L525 HydrophobicContact CD1-CD2 4.09Å; L525-N527 WeakPolarHBondContact CB-OD1 3.41Å; L525-N527 PolarHBondContact O-N 2.95Å; L525-G528 PolarHBondContact O-N 3.13Å; L525-S529 PolarHBondContact N-O 2.99Å
526	S	90.1	Very high	94.5	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.9	-173.8	65.7	0	0	0	0	115.5	P509 Y510 G528	P509-S526 WeakPolarHBondContact CA-OG 3.33Å; Y510-S526 VanDerWaalsContact CD1-OG 3.26Å; Y510-S526 WeakPolarHBondContact CD1-OG 3.31Å; Y510-S526 VanDerWaalsContact CE1-CB 3.46Å; Y510-S526 WeakPolarHBondContact CE1-OG 3.48Å; Y510-S526 VanDerWaalsContact CZ-CB 3.49Å; Y510-S526 PolarHBondContact N-OG 3.05Å; Y510-S526 WeakPolarHBondContact O-CB 3.33Å; Y510-S526 PolarHBondContact O-N 3.44Å; S526-G528 PolarHBondContact O-N 2.96Å
527	N	86.2	Confident	94.4	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.193	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	8.6	170.8	67.7	-0.8	0	0	0	113.4	I321 P509 L525 S529	I321-N527 HydrophobicContact CD1-CB 4.25Å; I321-N527 HydrophobicContact CG1-CB 3.94Å; P509-N527 HydrophobicContact CB-CB 4.48Å; L525-N527 WeakPolarHBondContact CB-OD1 3.41Å; L525-N527 PolarHBondContact O-N 2.95Å; N527-S529 VanDerWaalsContact C-N 3.32Å; N527-S529 PolarHBondContact O-N 3.37Å; N527-S529 WeakPolarHBondContact OD1-CB 3.47Å; N527-S529 PolarHBondContact OD1-N 2.59Å; N527-S529 VanDerWaalsContact OD1-N 3.13Å; N527-S529 PolarHBondContact OD1-OG 2.93Å
528	G	89.1	Confident	94.2	Very high	5 Å²	5	39.6 Å²	39.6	5%	0.052	19%	0.187	C	C	.	.	S	Bend	trans	82.9	-0.6	178.2	0	0	0	0	0	115.1	M377 L525 S526 P545	M377-G528 WeakPolarHBondContact CE-O 3.41Å; L525-G528 PolarHBondContact O-N 3.13Å; S526-G528 PolarHBondContact O-N 2.96Å; G528-P545 WeakPolarHBondContact O-CD 3.33Å; G528-P545 WeakPolarHBondContact O-CG 3.39Å
529	S	92.4	Very high	94.2	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.028	14%	0.142	C	C	.	.			trans	-75.2	143.8	175.7	63.4	0	0	0	0	111.9	L525 N527 L543	L525-S529 PolarHBondContact N-O 2.99Å; N527-S529 VanDerWaalsContact C-N 3.32Å; N527-S529 PolarHBondContact O-N 3.37Å; N527-S529 WeakPolarHBondContact OD1-CB 3.47Å; N527-S529 PolarHBondContact OD1-N 2.59Å; N527-S529 VanDerWaalsContact OD1-N 3.13Å; N527-S529 PolarHBondContact OD1-OG 2.93Å; S529-L543 VanDerWaalsContact CA-O 3.26Å; S529-L543 WeakPolarHBondContact CA-O 3.28Å; S529-L543 WeakPolarHBondContact CB-O 3.46Å
530	V	96.1	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.8	174.5	175.5	0	0	0	0	108.6	L374 M377 I522 L523 I532 L543 L590	L374-V530 HydrophobicContact CD2-CG2 3.76Å; M377-V530 HydrophobicContact CE-CB 4.13Å; M377-V530 HydrophobicContact CE-CG2 3.82Å; M377-V530 HydrophobicContact SD-CB 3.95Å; M377-V530 HydrophobicContact SD-CG2 3.79Å; I522-V530 HydrophobicContact CG2-CG1 4.06Å; L523-V530 WeakPolarHBondContact O-CA 3.41Å; V530-I532 HydrophobicContact CG1-CG1 4.33Å; V530-L543 HydrophobicContact CB-CB 4.39Å; V530-L543 HydrophobicContact CB-CD1 4.44Å; V530-L543 PolarHBondContact N-O 3.24Å; V530-L543 VanDerWaalsContact N-O 3.15Å; V530-L543 PolarHBondContact O-N 2.98Å; V530-L590 HydrophobicContact CG1-CD1 4.09Å; V530-L590 HydrophobicContact CG2-CD1 3.93Å
531	Q	97.1	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.3	176	178.3	174.9	-19.2	0	0	110.3	V411 L523 N533 L541 I542	V411-Q531 PolarHBondContact O-NE2 2.7Å; V411-Q531 PolarHBondContact O-OE1 3.07Å; L523-Q531 HydrophobicContact CB-CB 4.3Å; L523-Q531 PolarHBondContact N-O 3.07Å; L523-Q531 PolarHBondContact O-N 3.1Å; Q531-N533 WeakPolarHBondContact CG-OD1 3.15Å; Q531-N533 PolarHBondContact NE2-ND2 2.89Å; Q531-N533 PolarHBondContact NE2-OD1 2.95Å; Q531-L541 CarbonylContact C-O 3.57Å; Q531-L541 VanDerWaalsContact CA-O 3.26Å; Q531-L541 WeakPolarHBondContact CA-O 3.26Å; Q531-I542 HydrophobicContact CB-CG1 4.28Å; Q531-I542 HydrophobicContact CG-CG1 3.93Å
532	I	98	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120	178.1	-54.2	178.7	0	0	0	107.6	A520 I521 I522 V530 F534 K540 L541 Y582 A583 M586	A520-I532 HydrophobicContact CB-CG2 3.69Å; I521-I532 WeakPolarHBondContact O-CA 3.26Å; I522-I532 HydrophobicContact CG1-CG1 4.34Å; V530-I532 HydrophobicContact CG1-CG1 4.33Å; I532-F534 HydrophobicContact CB-CE2 4.38Å; I532-F534 HydrophobicContact CG2-CD2 4.32Å; I532-F534 HydrophobicContact CG2-CE1 4.22Å; I532-F534 HydrophobicContact CG2-CE2 3.81Å; I532-F534 HydrophobicContact CG2-CZ 3.75Å; I532-K540 CarbonylContact O-C 3.59Å; I532-K540 VanDerWaalsContact O-CA 3.23Å; I532-K540 WeakPolarHBondContact O-CA 3.19Å; I532-L541 HydrophobicContact CB-CB 4.41Å; I532-L541 PolarHBondContact N-O 2.87Å; I532-L541 PolarHBondContact O-N 3.37Å; I532-Y582 HydrophobicContact CD1-CD1 4.47Å; I532-Y582 HydrophobicContact CG2-CD1 4.32Å; I532-Y582 HydrophobicContact CG2-CE1 3.93Å; I532-A583 HydrophobicContact CD1-CB 3.54Å; I532-M586 HydrophobicContact CD1-CB 4.28Å; I532-M586 HydrophobicContact CD1-CG 4.39Å
533	N	96.9	Very high	94	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.043	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.8	176	-61.5	-11.3	0	0	0	108.9	W414 A520 I521 Q531 K540	W414-N533 PolarHBondContact NE1-ND2 2.76Å; A520-N533 CarbonylContact C-O 3.59Å; A520-N533 WeakPolarHBondContact CA-O 3.5Å; A520-N533 VanDerWaalsContact CB-O 3.27Å; A520-N533 WeakPolarHBondContact CB-O 3.41Å; I521-N533 HydrophobicContact CG2-CB 3.71Å; I521-N533 PolarHBondContact N-O 2.99Å; I521-N533 PolarHBondContact O-N 2.96Å; Q531-N533 WeakPolarHBondContact CG-OD1 3.15Å; Q531-N533 PolarHBondContact NE2-ND2 2.89Å; Q531-N533 PolarHBondContact NE2-OD1 2.95Å; N533-K540 HydrophobicContact CB-CG 4.3Å; N533-K540 WeakPolarHBondContact OD1-CD 3.47Å; N533-K540 WeakPolarHBondContact OD1-CG 3.22Å
534	F	96.7	Very high	93.8	Very high	20 Å²	20	28 Å²	28	9%	0.088	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.4	-179.4	-64.3	-88.8	0	0	0	110.5	A520 I532 H538 T539 L541 R579 Y582	A520-F534 HydrophobicContact CB-CD1 3.97Å; A520-F534 HydrophobicContact CB-CE1 4.33Å; A520-F534 HydrophobicContact CB-CG 4.39Å; I532-F534 HydrophobicContact CB-CE2 4.38Å; I532-F534 HydrophobicContact CG2-CD2 4.32Å; I532-F534 HydrophobicContact CG2-CE1 4.22Å; I532-F534 HydrophobicContact CG2-CE2 3.81Å; I532-F534 HydrophobicContact CG2-CZ 3.75Å; F534-H538 WeakPolarHBondContact O-CA 3.41Å; F534-H538 PolarHBondContact O-N 3.03Å; F534-T539 WeakPolarHBondContact CD2-OG1 3.41Å; F534-T539 PolarHBondContact N-O 3.25Å; F534-L541 HydrophobicContact CE2-CD1 4.41Å; F534-L541 HydrophobicContact CE2-CG 4.2Å; F534-R579 HydrophobicContact CE1-CG 4.4Å; F534-R579 HydrophobicContact CE2-CB 4.19Å; F534-R579 HydrophobicContact CE2-CG 3.89Å; F534-R579 HydrophobicContact CZ-CB 3.96Å; F534-R579 HydrophobicContact CZ-CG 3.78Å; F534-Y582 AromaticContact CE1-CD1 3.55Å; F534-Y582 HydrophobicContact CE1-CD1 3.55Å; F534-Y582 AromaticContact CE1-CE1 3.82Å; F534-Y582 HydrophobicContact CE1-CE1 3.82Å; F534-Y582 HydrophobicContact CE1-CG 4.05Å; F534-Y582 AromaticContact CZ-CD1 3.73Å; F534-Y582 HydrophobicContact CZ-CD1 3.73Å; F534-Y582 HydrophobicContact CZ-CE1 4.24Å; F534-Y582 HydrophobicContact CZ-CG 4.41Å
535	F	94.3	Very high	93.4	Very high	59 Å²	59	28 Å²	28	26%	0.259	14%	0.138	S	C	.	.	S	Bend	trans	-84.1	-33.8	-175.1	-57.9	-43.4	0	0	0	113.3	W414 R516 S519 A520 I521	W414-F535 AromaticContact CH2-CE1 3.84Å; W414-F535 HydrophobicContact CH2-CE1 3.84Å; W414-F535 HydrophobicContact CH2-CZ 4.49Å; W414-F535 AromaticContact CZ2-CE1 3.83Å; W414-F535 HydrophobicContact CZ2-CE1 3.83Å; R516-F535 HydrophobicContact CG-CZ 4.37Å; S519-F535 VanDerWaalsContact C-CD2 3.5Å; S519-F535 PolarHBondContact O-N 3.48Å; A520-F535 VanDerWaalsContact C-CE2 3.42Å; I521-F535 HydrophobicContact CB-CE1 4.05Å; I521-F535 HydrophobicContact CB-CZ 3.89Å; I521-F535 HydrophobicContact CG2-CE1 4.01Å; I521-F535 HydrophobicContact CG2-CZ 4.36Å; I521-F535 VanDerWaalsContact N-CZ 3.34Å
536	Q	92.4	Very high	93	Very high	187 Å²	187	30.1 Å²	30.1	87%	0.874	15%	0.149	S	C	*	.	S	Bend	trans	-70.8	-41	-170.8	-175.8	173.4	-2.5	0	0	112.8
537	D	92.3	Very high	92.9	Very high	36 Å²	36	29.8 Å²	29.8	19%	0.193	15%	0.145	C	C	.	.	S	Bend	trans	-124	5.1	-173.1	50.8	41.4	0	0	0	112.8	T539 E555 R579	D537-T539 HydrophobicContact CB-CG2 4.16Å; D537-T539 PolarHBondContact O-N 2.8Å; D537-T539 VanDerWaalsContact OD1-CB 3.3Å; D537-T539 WeakPolarHBondContact OD1-CB 3.3Å; D537-T539 VanDerWaalsContact OD1-CG2 3.28Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.28Å; D537-T539 PolarHBondContact OD1-N 2.92Å; D537-T539 PolarHBondContact OD1-OG1 3.39Å; D537-E555 HydrophobicContact CB-CG 4.25Å; D537-E555 WeakPolarHBondContact CB-OE1 3.32Å; D537-R579 IonicContact OD1-NH2 2.99Å; D537-R579 PolarHBondContact OD1-NH2 3.2Å; D537-R579 VanDerWaalsContact OD1-NH2 3.13Å; D537-R579 IonicContact OD2-CZ 3.7Å; D537-R579 IonicContact OD2-NH2 3.85Å; D537-R579 PolarHBondContact OD2-NH2 3.1Å
538	H	89.4	Confident	93.2	Very high	138 Å²	138	29.5 Å²	29.5	64%	0.639	15%	0.147	S	C	*	.			trans	58.4	9.6	-179.2	-59	-60.8	0	0	0	116.3	F534 K540	F534-H538 WeakPolarHBondContact O-CA 3.41Å; F534-H538 PolarHBondContact O-N 3.03Å; H538-K540 PolarHBondContact O-NZ 2.89Å
539	T	94.6	Very high	93.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.			trans	-68.5	160.4	174.7	65.8	0	0	0	0	111.4	F534 D537 Y552 I553 E555 R579	F534-T539 WeakPolarHBondContact CD2-OG1 3.41Å; F534-T539 PolarHBondContact N-O 3.25Å; D537-T539 HydrophobicContact CB-CG2 4.16Å; D537-T539 PolarHBondContact O-N 2.8Å; D537-T539 VanDerWaalsContact OD1-CB 3.3Å; D537-T539 WeakPolarHBondContact OD1-CB 3.3Å; D537-T539 VanDerWaalsContact OD1-CG2 3.28Å; D537-T539 WeakPolarHBondContact OD1-CG2 3.28Å; D537-T539 PolarHBondContact OD1-N 2.92Å; D537-T539 PolarHBondContact OD1-OG1 3.39Å; T539-Y552 HydrophobicContact CG2-CE2 4.33Å; T539-I553 CarbonylContact C-O 3.6Å; T539-I553 WeakPolarHBondContact CA-O 3.5Å; T539-I553 WeakPolarHBondContact CB-O 3.25Å; T539-E555 HydrophobicContact CG2-CG 3.83Å; T539-R579 VanDerWaalsContact CG2-NH2 3.26Å; T539-R579 VanDerWaalsContact OG1-CZ 3.24Å; T539-R579 PolarHBondContact OG1-NE 3.03Å; T539-R579 PolarHBondContact OG1-NH2 3.38Å
540	K	95.4	Very high	93.7	Very high	52 Å²	52	29.1 Å²	29.1	23%	0.226	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.4	-177.1	-48.7	174.8	-178.3	60.3	0	111.4	I532 N533 H538 Y552 I553	I532-K540 CarbonylContact O-C 3.59Å; I532-K540 VanDerWaalsContact O-CA 3.23Å; I532-K540 WeakPolarHBondContact O-CA 3.19Å; N533-K540 HydrophobicContact CB-CG 4.3Å; N533-K540 WeakPolarHBondContact OD1-CD 3.47Å; N533-K540 WeakPolarHBondContact OD1-CG 3.22Å; H538-K540 PolarHBondContact O-NZ 2.89Å; K540-Y552 WeakPolarHBondContact O-CD2 3.27Å; K540-I553 HydrophobicContact CB-CB 4.09Å; K540-I553 HydrophobicContact CB-CD1 4.24Å; K540-I553 HydrophobicContact CB-CG1 4.41Å; K540-I553 HydrophobicContact CD-CD1 4.2Å; K540-I553 PolarHBondContact N-O 2.96Å; K540-I553 PolarHBondContact O-N 2.8Å
541	L	97	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.9	164.9	-71.1	-177.3	0	0	0	110.4	Q531 I532 F534 V550 T551 Y552 L576 R579 A583	Q531-L541 CarbonylContact C-O 3.57Å; Q531-L541 VanDerWaalsContact CA-O 3.26Å; Q531-L541 WeakPolarHBondContact CA-O 3.26Å; I532-L541 HydrophobicContact CB-CB 4.41Å; I532-L541 PolarHBondContact N-O 2.87Å; I532-L541 PolarHBondContact O-N 3.37Å; F534-L541 HydrophobicContact CE2-CD1 4.41Å; F534-L541 HydrophobicContact CE2-CG 4.2Å; L541-V550 HydrophobicContact CD2-CG2 3.69Å; L541-T551 CarbonylContact C-O 3.09Å; L541-T551 VanDerWaalsContact CA-O 3.31Å; L541-T551 WeakPolarHBondContact CA-O 3.48Å; L541-Y552 HydrophobicContact CD2-CD2 3.6Å; L541-Y552 HydrophobicContact CD2-CE2 4.49Å; L541-Y552 HydrophobicContact CD2-CG 4.27Å; L541-Y552 HydrophobicContact CG-CD2 4.5Å; L541-L576 HydrophobicContact CD2-CD1 3.77Å; L541-R579 HydrophobicContact CD1-CB 3.52Å; L541-R579 HydrophobicContact CG-CB 4.13Å; L541-A583 HydrophobicContact CD1-CB 4.11Å
542	I	95.9	Very high	93.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	115.3	168.9	-53.9	160.4	0	0	0	108	P407 W410 Q531 V550 T551 I553 F559	P407-I542 HydrophobicContact CB-CG2 4.09Å; P407-I542 HydrophobicContact CG-CB 4.45Å; P407-I542 HydrophobicContact CG-CD1 4.04Å; P407-I542 HydrophobicContact CG-CG2 4.12Å; W410-I542 HydrophobicContact CB-CD1 3.6Å; W410-I542 HydrophobicContact CB-CG1 4.46Å; W410-I542 HydrophobicContact CG-CD1 3.89Å; Q531-I542 HydrophobicContact CB-CG1 4.28Å; Q531-I542 HydrophobicContact CG-CG1 3.93Å; I542-V550 WeakPolarHBondContact O-CA 3.49Å; I542-T551 PolarHBondContact N-O 3.19Å; I542-T551 PolarHBondContact O-N 2.72Å; I542-I553 HydrophobicContact CD1-CD1 4.23Å; I542-F559 HydrophobicContact CD1-CE2 4.49Å
543	L	95.7	Very high	93.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.7	-179.2	-64.7	167.6	0	0	0	110.4	M377 L381 S529 V530 V550 A583 V587	M377-L543 HydrophobicContact CE-CB 3.84Å; M377-L543 HydrophobicContact CG-CB 4.48Å; M377-L543 HydrophobicContact CG-CD1 4.38Å; M377-L543 HydrophobicContact SD-CB 3.71Å; M377-L543 HydrophobicContact SD-CD1 3.66Å; M377-L543 HydrophobicContact SD-CG 4.32Å; L381-L543 HydrophobicContact CD1-CD1 3.93Å; L381-L543 HydrophobicContact CD2-CD2 4.03Å; S529-L543 VanDerWaalsContact CA-O 3.26Å; S529-L543 WeakPolarHBondContact CA-O 3.28Å; S529-L543 WeakPolarHBondContact CB-O 3.46Å; V530-L543 HydrophobicContact CB-CB 4.39Å; V530-L543 HydrophobicContact CB-CD1 4.44Å; V530-L543 PolarHBondContact N-O 3.24Å; V530-L543 VanDerWaalsContact N-O 3.15Å; V530-L543 PolarHBondContact O-N 2.98Å; L543-V550 HydrophobicContact CD2-CB 3.88Å; L543-V550 HydrophobicContact CD2-CG2 3.69Å; L543-A583 HydrophobicContact CD1-CB 4Å; L543-V587 HydrophobicContact CD1-CG2 4.18Å
544	C	92	Very high	92.7	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.095	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	96.8	178.4	-68.2	0	0	0	0	109.2	L546 M547 A548 A549	C544-L546 PolarHBondContact O-N 3.16Å; C544-M547 HydrophobicContact CB-CB 4.12Å; C544-M547 PolarHBondContact O-N 3.16Å; C544-A548 PolarHBondContact O-N 2.94Å; C544-A548 VanDerWaalsContact O-N 3.12Å; C544-A549 PolarHBondContact N-O 2.63Å; C544-A549 PolarHBondContact O-N 3.22Å
545	P	87	Confident	92.4	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.045	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66.7	-39.9	-168.3	24.7	-29.9	0	0	0	112.5	H373 M377 Q380 G528 M547 A548	H373-P545 HydrophobicContact CB-CB 4.07Å; H373-P545 HydrophobicContact CB-CG 3.66Å; M377-P545 HydrophobicContact CB-CB 4.04Å; M377-P545 HydrophobicContact CE-CB 3.76Å; M377-P545 VanDerWaalsContact CE-CD 3.48Å; M377-P545 HydrophobicContact CE-CG 3.6Å; Q380-P545 PolarHBondContact NE2-O 2.91Å; Q380-P545 PolarHBondContact OE1-O 3.33Å; G528-P545 WeakPolarHBondContact O-CD 3.33Å; G528-P545 WeakPolarHBondContact O-CG 3.39Å; P545-M547 PolarHBondContact O-N 3.12Å; P545-A548 PolarHBondContact O-N 2.65Å
546	L	85.4	Confident	92	Very high	44 Å²	44	42.5 Å²	42.5	23%	0.23	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-68	-22.8	179.3	-73.1	178.4	0	0	0	113.8	R144 H373 C544	R144-L546 WeakPolarHBondContact O-CD1 3.36Å; H373-L546 VanDerWaalsContact CE1-CD2 3.46Å; H373-L546 WeakPolarHBondContact CE1-CD2 3.3Å; C544-L546 PolarHBondContact O-N 3.16Å
547	M	87.4	Confident	91.4	Very high	12 Å²	12	42 Å²	42	6%	0.059	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-95	-4.9	173.8	-66.9	-57.9	-56.1	0	0	112.7	K143 R144 C405 C544 P545 A549	K143-M547 HydrophobicContact CB-CE 4.43Å; K143-M547 HydrophobicContact CB-SD 3.65Å; K143-M547 HydrophobicContact CD-CE 4.19Å; K143-M547 HydrophobicContact CD-SD 4.46Å; R144-M547 HydrophobicContact CG-CG 3.88Å; R144-M547 HydrophobicContact CG-SD 3.5Å; R144-M547 VanDerWaalsContact CG-SD 3.5Å; C405-M547 HydrophobicContact CB-CB 4.27Å; C405-M547 HydrophobicContact CB-CE 4.23Å; C405-M547 WeakPolarHBondContact SG-CE 3.47Å; C544-M547 HydrophobicContact CB-CB 4.12Å; C544-M547 PolarHBondContact O-N 3.16Å; P545-M547 PolarHBondContact O-N 3.12Å; M547-A549 HydrophobicContact CB-CB 3.97Å; M547-A549 PolarHBondContact O-N 3.41Å
548	A	92.4	Very high	90.9	Very high	30 Å²	30	43.8 Å²	43.8	25%	0.248	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	50.9	-168.8	0	0	0	0	0	111.7	Q380 C544 P545 L564	Q380-A548 HydrophobicContact CG-CB 4.49Å; C544-A548 PolarHBondContact O-N 2.94Å; C544-A548 VanDerWaalsContact O-N 3.12Å; P545-A548 PolarHBondContact O-N 2.65Å; A548-L564 VanDerWaalsContact O-CB 3.31Å; A548-L564 WeakPolarHBondContact O-CB 3.03Å; A548-L564 WeakPolarHBondContact O-CG 3.24Å; A548-L564 PolarHBondContact O-N 3.42Å
549	A	94.6	Very high	90.7	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154	-170.4	0	0	0	0	0	112.8	C405 C544 M547 T561 Y562	C405-A549 HydrophobicContact CB-CB 3.4Å; C405-A549 VanDerWaalsContact CB-CB 3.4Å; C544-A549 PolarHBondContact N-O 2.63Å; C544-A549 PolarHBondContact O-N 3.22Å; M547-A549 HydrophobicContact CB-CB 3.97Å; M547-A549 PolarHBondContact O-N 3.41Å; A549-T561 HydrophobicContact CB-CG2 4.35Å; A549-Y562 CarbonylContact C-O 3.51Å; A549-Y562 VanDerWaalsContact CA-O 3.23Å; A549-Y562 WeakPolarHBondContact CA-O 3.17Å; A549-Y562 WeakPolarHBondContact CB-O 3.37Å
550	V	96.6	Very high	90.3	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.4	176.2	62.2	0	0	0	0	109.6	L541 I542 L543 T561 Y562 L564 L567 L580	L541-V550 HydrophobicContact CD2-CG2 3.69Å; I542-V550 WeakPolarHBondContact O-CA 3.49Å; L543-V550 HydrophobicContact CD2-CB 3.88Å; L543-V550 HydrophobicContact CD2-CG2 3.69Å; V550-T561 CarbonylContact O-C 3.57Å; V550-T561 WeakPolarHBondContact O-CA 3.21Å; V550-Y562 PolarHBondContact N-O 3.44Å; V550-Y562 PolarHBondContact O-N 2.98Å; V550-L564 HydrophobicContact CB-CD2 4.04Å; V550-L564 HydrophobicContact CG1-CD2 3.75Å; V550-L567 HydrophobicContact CG1-CD1 3.84Å; V550-L580 HydrophobicContact CB-CD2 4.29Å; V550-L580 HydrophobicContact CG1-CD2 4.2Å; V550-L580 HydrophobicContact CG2-CD2 4.04Å
551	T	94.8	Very high	90.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.1	167.4	-59.7	0	0	0	0	109.2	P407 L541 I542 I553 F559 R560 T561	P407-T551 WeakPolarHBondContact CD-OG1 3.38Å; L541-T551 CarbonylContact C-O 3.09Å; L541-T551 VanDerWaalsContact CA-O 3.31Å; L541-T551 WeakPolarHBondContact CA-O 3.48Å; I542-T551 PolarHBondContact N-O 3.19Å; I542-T551 PolarHBondContact O-N 2.72Å; T551-I553 HydrophobicContact CG2-CG1 4.44Å; T551-F559 HydrophobicContact CG2-CD1 3.82Å; T551-F559 HydrophobicContact CG2-CD2 4.06Å; T551-F559 HydrophobicContact CG2-CE1 3.36Å; T551-F559 HydrophobicContact CG2-CE2 3.65Å; T551-F559 HydrophobicContact CG2-CG 4.16Å; T551-F559 HydrophobicContact CG2-CZ 3.3Å; T551-R560 CarbonylContact C-O 3.36Å; T551-R560 VanDerWaalsContact CA-O 3.3Å; T551-R560 WeakPolarHBondContact CA-O 3.3Å; T551-T561 WeakPolarHBondContact OG1-CG2 3.12Å; T551-T561 PolarHBondContact OG1-OG1 3.22Å
552	Y	94.6	Very high	89.9	Confident	12 Å²	12	42.9 Å²	42.9	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127	173.7	-175.1	-130.5	0	0	0	109.5	T539 K540 L541 D554 R560 E575 L576 R579	T539-Y552 HydrophobicContact CG2-CE2 4.33Å; K540-Y552 WeakPolarHBondContact O-CD2 3.27Å; L541-Y552 HydrophobicContact CD2-CD2 3.6Å; L541-Y552 HydrophobicContact CD2-CE2 4.49Å; L541-Y552 HydrophobicContact CD2-CG 4.27Å; L541-Y552 HydrophobicContact CG-CD2 4.5Å; Y552-D554 HydrophobicContact CD1-CB 4.42Å; Y552-D554 HydrophobicContact CE1-CB 3.88Å; Y552-R560 PolarHBondContact N-O 3.46Å; Y552-R560 PolarHBondContact O-N 2.61Å; Y552-E575 PolarHBondContact OH-OE1 3.48Å; Y552-E575 PolarHBondContact OH-OE2 3.26Å; Y552-E575 VanDerWaalsContact OH-OE2 3.1Å; Y552-L576 HydrophobicContact CD2-CD1 4.31Å; Y552-L576 HydrophobicContact CG-CD1 4.08Å; Y552-R579 PolarHBondContact OH-NE 3.16Å
553	I	90.5	Very high	89.8	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.077	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.3	171.4	-53.1	176.7	0	0	0	106.1	T539 K540 I542 T551 D558 F559	T539-I553 CarbonylContact C-O 3.6Å; T539-I553 WeakPolarHBondContact CA-O 3.5Å; T539-I553 WeakPolarHBondContact CB-O 3.25Å; K540-I553 HydrophobicContact CB-CB 4.09Å; K540-I553 HydrophobicContact CB-CD1 4.24Å; K540-I553 HydrophobicContact CB-CG1 4.41Å; K540-I553 HydrophobicContact CD-CD1 4.2Å; K540-I553 PolarHBondContact N-O 2.96Å; K540-I553 PolarHBondContact O-N 2.8Å; I542-I553 HydrophobicContact CD1-CD1 4.23Å; T551-I553 HydrophobicContact CG2-CG1 4.44Å; I553-D558 WeakPolarHBondContact CA-O 3.25Å; I553-F559 HydrophobicContact CD1-CD2 3.71Å; I553-F559 HydrophobicContact CD1-CE2 3.86Å; I553-F559 HydrophobicContact CG1-CD2 3.65Å; I553-F559 HydrophobicContact CG1-CE2 4.11Å; I553-F559 HydrophobicContact CG1-CG 4.45Å
554	D	88.5	Confident	89.8	Confident	38 Å²	38	46.3 Å²	46.3	20%	0.203	21%	0.211	C	C	.	.			trans	-83.4	-175.6	-177.2	73.3	10.4	0	0	0	112.6	Y552 K556 R557 D558	Y552-D554 HydrophobicContact CD1-CB 4.42Å; Y552-D554 HydrophobicContact CE1-CB 3.88Å; D554-K556 PolarHBondContact O-N 2.91Å; D554-K556 WeakPolarHBondContact OD1-CA 3.5Å; D554-K556 WeakPolarHBondContact OD1-CB 3.32Å; D554-K556 PolarHBondContact OD1-N 3.46Å; D554-R557 PolarHBondContact O-N 3.39Å; D554-R557 PolarHBondContact OD1-N 3.09Å; D554-D558 PolarHBondContact N-O 3.16Å; D554-D558 PolarHBondContact OD1-N 3.14Å
555	E	88.9	Confident	89.9	Confident	131 Å²	131	48.5 Å²	48.5	61%	0.612	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.2	179.9	-56.6	-174.3	176.8	0	0	112.7	D537 T539 R557	D537-E555 HydrophobicContact CB-CG 4.25Å; D537-E555 WeakPolarHBondContact CB-OE1 3.32Å; T539-E555 HydrophobicContact CG2-CG 3.83Å; E555-R557 PolarHBondContact O-N 3.39Å
556	K	86.1	Confident	90.1	Very high	171 Å²	171	50.3 Å²	50.3	74%	0.743	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.2	175.8	-63.5	179.5	-178.7	177.3	0	112.4	D554 D558	D554-K556 PolarHBondContact O-N 2.91Å; D554-K556 WeakPolarHBondContact OD1-CA 3.5Å; D554-K556 WeakPolarHBondContact OD1-CB 3.32Å; D554-K556 PolarHBondContact OD1-N 3.46Å; K556-D558 PolarHBondContact O-N 3.29Å
557	R	80.3	Confident	90.6	Very high	175 Å²	175	48.2 Å²	48.2	66%	0.66	23%	0.225	S	C	*	.			trans	66.7	21	-172.8	-48	179	177.9	-174	0.3	112.6	L491 D554 E555 F559	L491-R557 VanDerWaalsContact CD1-NH2 3.31Å; D554-R557 PolarHBondContact O-N 3.39Å; D554-R557 PolarHBondContact OD1-N 3.09Å; E555-R557 PolarHBondContact O-N 3.39Å; R557-F559 PolarHBondContact O-N 3.47Å
558	D	82.1	Confident	90.9	Very high	74 Å²	74	50 Å²	50	40%	0.396	23%	0.233	S	C	.	.			trans	-68.9	128.9	170.3	-71.5	-23.7	0	0	0	108.4	I553 D554 K556	I553-D558 WeakPolarHBondContact CA-O 3.25Å; D554-D558 PolarHBondContact N-O 3.16Å; D554-D558 PolarHBondContact OD1-N 3.14Å; K556-D558 PolarHBondContact O-N 3.29Å
559	F	84.1	Confident	90.9	Very high	72 Å²	72	53.2 Å²	53.2	32%	0.316	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.1	-173	-172	-74.9	0	0	0	109	I406 P407 I542 T551 I553 R557	I406-F559 HydrophobicContact CB-CE1 4.49Å; I406-F559 HydrophobicContact CG1-CE1 4.2Å; I406-F559 HydrophobicContact CG2-CE1 3.84Å; I406-F559 HydrophobicContact CG2-CZ 4.21Å; P407-F559 HydrophobicContact CG-CZ 3.76Å; I542-F559 HydrophobicContact CD1-CE2 4.49Å; T551-F559 HydrophobicContact CG2-CD1 3.82Å; T551-F559 HydrophobicContact CG2-CD2 4.06Å; T551-F559 HydrophobicContact CG2-CE1 3.36Å; T551-F559 HydrophobicContact CG2-CE2 3.65Å; T551-F559 HydrophobicContact CG2-CG 4.16Å; T551-F559 HydrophobicContact CG2-CZ 3.3Å; I553-F559 HydrophobicContact CD1-CD2 3.71Å; I553-F559 HydrophobicContact CD1-CE2 3.86Å; I553-F559 HydrophobicContact CG1-CD2 3.65Å; I553-F559 HydrophobicContact CG1-CE2 4.11Å; I553-F559 HydrophobicContact CG1-CG 4.45Å; R557-F559 PolarHBondContact O-N 3.47Å
560	R	86.6	Confident	90.8	Very high	92 Å²	92	55.3 Å²	55.3	35%	0.347	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136	-178.9	-60.5	-179.7	-177.7	-140.1	11.3	111.2	E401 T551 Y552 Y562	E401-R560 WeakPolarHBondContact OE1-CD 3.4Å; E401-R560 IonicContact OE1-CZ 2.76Å; E401-R560 IonicContact OE1-NE 2.62Å; E401-R560 IonicContact OE1-NH1 2.79Å; E401-R560 PolarHBondContact OE1-NH1 3.07Å; T551-R560 CarbonylContact C-O 3.36Å; T551-R560 VanDerWaalsContact CA-O 3.3Å; T551-R560 WeakPolarHBondContact CA-O 3.3Å; Y552-R560 PolarHBondContact N-O 3.46Å; Y552-R560 PolarHBondContact O-N 2.61Å; R560-Y562 HydrophobicContact CB-CE2 3.73Å; R560-Y562 WeakPolarHBondContact CB-OH 3.37Å; R560-Y562 WeakPolarHBondContact CD-OH 3.49Å
561	T	91.3	Very high	90.7	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.1	-179.7	-55.9	0	0	0	0	110.7	E401 D402 C405 I406 A549 V550 T551	E401-T561 CarbonylContact C-O 3.53Å; E401-T561 VanDerWaalsContact CA-O 3.31Å; E401-T561 WeakPolarHBondContact CA-O 3.48Å; D402-T561 PolarHBondContact N-O 2.52Å; C405-T561 HydrophobicContact CB-CG2 3.6Å; I406-T561 WeakPolarHBondContact CG1-OG1 3.38Å; A549-T561 HydrophobicContact CB-CG2 4.35Å; V550-T561 CarbonylContact O-C 3.57Å; V550-T561 WeakPolarHBondContact O-CA 3.21Å; T551-T561 WeakPolarHBondContact OG1-CG2 3.12Å; T551-T561 PolarHBondContact OG1-OG1 3.22Å
562	Y	93.4	Very high	90.7	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.7	-175.6	-56.3	-78.4	0	0	0	111.6	Q397 A400 E401 A549 V550 R560 L567 L576	Q397-Y562 HydrophobicContact CG-CD1 4.13Å; Q397-Y562 HydrophobicContact CG-CE1 3.4Å; Q397-Y562 VanDerWaalsContact CG-CE1 3.4Å; Q397-Y562 VanDerWaalsContact NE2-CZ 3.33Å; Q397-Y562 PolarHBondContact NE2-OH 2.9Å; Q397-Y562 WeakPolarHBondContact O-CE1 3.3Å; A400-Y562 HydrophobicContact CB-CD1 4.08Å; A400-Y562 VanDerWaalsContact O-CA 3.28Å; A400-Y562 WeakPolarHBondContact O-CA 3.27Å; E401-Y562 HydrophobicContact CB-CE1 4.44Å; E401-Y562 HydrophobicContact CG-CD1 3.74Å; E401-Y562 HydrophobicContact CG-CE1 3.26Å; E401-Y562 PolarHBondContact OE1-OH 3.39Å; A549-Y562 CarbonylContact C-O 3.51Å; A549-Y562 VanDerWaalsContact CA-O 3.23Å; A549-Y562 WeakPolarHBondContact CA-O 3.17Å; A549-Y562 WeakPolarHBondContact CB-O 3.37Å; V550-Y562 PolarHBondContact N-O 3.44Å; V550-Y562 PolarHBondContact O-N 2.98Å; R560-Y562 HydrophobicContact CB-CE2 3.73Å; R560-Y562 WeakPolarHBondContact CB-OH 3.37Å; R560-Y562 WeakPolarHBondContact CD-OH 3.49Å; Y562-L567 HydrophobicContact CD1-CD2 3.99Å; Y562-L567 HydrophobicContact CG-CD1 4.41Å; Y562-L567 HydrophobicContact CG-CD2 3.96Å; Y562-L567 HydrophobicContact CG-CG 4.47Å; Y562-L576 HydrophobicContact CD2-CD2 3.89Å; Y562-L576 HydrophobicContact CE2-CD2 3.97Å
563	R	93.7	Very high	90.6	Very high	70 Å²	70	56.9 Å²	56.9	26%	0.264	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.9	165	-73.9	-128.9	-163.8	149.1	20.7	110.3	A400 D402 S565 L566 L567	A400-R563 PolarHBondContact O-N 3.25Å; A400-R563 VanDerWaalsContact O-N 3.08Å; D402-R563 HydrophobicContact CB-CG 3.62Å; D402-R563 IonicContact OD2-CZ 3.91Å; D402-R563 IonicContact OD2-NE 3.09Å; D402-R563 PolarHBondContact OD2-NE 2.85Å; D402-R563 IonicContact OD2-NH2 2.7Å; D402-R563 PolarHBondContact OD2-NH2 2.65Å; R563-S565 VanDerWaalsContact C-N 3.34Å; R563-S565 PolarHBondContact O-N 2.98Å; R563-L566 HydrophobicContact CB-CB 4.11Å; R563-L566 HydrophobicContact CB-CD1 4.02Å; R563-L566 HydrophobicContact CB-CG 3.83Å; R563-L566 HydrophobicContact CG-CD1 4.38Å; R563-L566 PolarHBondContact O-N 3.22Å; R563-L566 VanDerWaalsContact O-N 3.08Å; R563-L567 WeakPolarHBondContact O-CG 3.37Å; R563-L567 PolarHBondContact O-N 2.9Å
564	L	95.4	Very high	90.8	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-44.4	179.2	-70.8	-175.3	0	0	0	111.9	Q380 V384 A548 V550 L566 L567 E568 L580	Q380-L564 HydrophobicContact CB-CD1 3.71Å; V384-L564 HydrophobicContact CG2-CB 3.51Å; V384-L564 HydrophobicContact CG2-CD1 4.4Å; V384-L564 HydrophobicContact CG2-CD2 4Å; V384-L564 HydrophobicContact CG2-CG 4.13Å; A548-L564 VanDerWaalsContact O-CB 3.31Å; A548-L564 WeakPolarHBondContact O-CB 3.03Å; A548-L564 WeakPolarHBondContact O-CG 3.24Å; A548-L564 PolarHBondContact O-N 3.42Å; V550-L564 HydrophobicContact CB-CD2 4.04Å; V550-L564 HydrophobicContact CG1-CD2 3.75Å; L564-L566 VanDerWaalsContact C-N 3.28Å; L564-L566 PolarHBondContact O-N 3.46Å; L564-L567 HydrophobicContact CD2-CD1 4.32Å; L564-L567 PolarHBondContact O-N 3.47Å; L564-E568 PolarHBondContact O-N 2.62Å; L564-L580 HydrophobicContact CD2-CD2 4.31Å
565	S	93.3	Very high	91.1	Very high	60 Å²	60	66 Å²	66	42%	0.42	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-30.7	176.3	63.3	0	0	0	0	113.8	R563 E568 E569	R563-S565 VanDerWaalsContact C-N 3.34Å; R563-S565 PolarHBondContact O-N 2.98Å; S565-E568 WeakPolarHBondContact O-CB 3.08Å; S565-E569 PolarHBondContact O-N 3.1Å
566	L	92.5	Very high	91.4	Very high	44 Å²	44	59.7 Å²	59.7	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-80.7	-30.7	177.4	-60.9	-176.5	0	0	0	111.5	A400 R563 L564 E568 E569 Y570	A400-L566 HydrophobicContact CB-CB 3.66Å; R563-L566 HydrophobicContact CB-CB 4.11Å; R563-L566 HydrophobicContact CB-CD1 4.02Å; R563-L566 HydrophobicContact CB-CG 3.83Å; R563-L566 HydrophobicContact CG-CD1 4.38Å; R563-L566 PolarHBondContact O-N 3.22Å; R563-L566 VanDerWaalsContact O-N 3.08Å; L564-L566 VanDerWaalsContact C-N 3.28Å; L564-L566 PolarHBondContact O-N 3.46Å; L566-E568 VanDerWaalsContact C-N 3.27Å; L566-E569 PolarHBondContact O-N 2.95Å; L566-Y570 HydrophobicContact CB-CD2 4.2Å; L566-Y570 HydrophobicContact CD2-CE2 4.14Å; L566-Y570 WeakPolarHBondContact O-CB 3.42Å; L566-Y570 WeakPolarHBondContact O-CD2 3.15Å; L566-Y570 PolarHBondContact O-N 3.26Å
567	L	94.8	Very high	91.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-35.1	168.8	-64.4	173.5	0	0	0	111.2	V384 P389 A400 V550 Y562 R563 L564 E569 G571 C572 L576 L580	V384-L567 HydrophobicContact CG1-CB 4.45Å; P389-L567 WeakPolarHBondContact CB-O 3.43Å; A400-L567 HydrophobicContact CB-CD2 3.62Å; A400-L567 HydrophobicContact CB-CG 4.08Å; V550-L567 HydrophobicContact CG1-CD1 3.84Å; Y562-L567 HydrophobicContact CD1-CD2 3.99Å; Y562-L567 HydrophobicContact CG-CD1 4.41Å; Y562-L567 HydrophobicContact CG-CD2 3.96Å; Y562-L567 HydrophobicContact CG-CG 4.47Å; R563-L567 WeakPolarHBondContact O-CG 3.37Å; R563-L567 PolarHBondContact O-N 2.9Å; L564-L567 HydrophobicContact CD2-CD1 4.32Å; L564-L567 PolarHBondContact O-N 3.47Å; L567-E569 VanDerWaalsContact C-N 3.3Å; L567-E569 PolarHBondContact O-N 3.19Å; L567-G571 VanDerWaalsContact O-CA 3.24Å; L567-G571 WeakPolarHBondContact O-CA 3.36Å; L567-G571 PolarHBondContact O-N 2.99Å; L567-C572 HydrophobicContact CD2-CB 3.74Å; L567-L576 HydrophobicContact CD1-CD2 4.38Å; L567-L576 HydrophobicContact CD2-CD2 4.41Å; L567-L580 HydrophobicContact CD1-CD1 4.19Å
568	E	94	Very high	92.6	Very high	50 Å²	50	46 Å²	46	23%	0.234	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-42.2	170.7	-73.5	173.6	-166.3	0	0	111.3	S383 V384 R392 L564 S565 L566	S383-E568 VanDerWaalsContact C-OE1 3.28Å; S383-E568 WeakPolarHBondContact CB-OE1 3.47Å; S383-E568 VanDerWaalsContact OG-CD 3.3Å; S383-E568 PolarHBondContact OG-OE1 3.1Å; S383-E568 PolarHBondContact OG-OE2 3.47Å; V384-E568 HydrophobicContact CB-CG 4.21Å; V384-E568 HydrophobicContact CG1-CG 4.5Å; V384-E568 HydrophobicContact CG2-CG 3.89Å; V384-E568 WeakPolarHBondContact CG2-OE1 3.41Å; V384-E568 PolarHBondContact N-OE1 3.22Å; V384-E568 VanDerWaalsContact N-OE1 3.14Å; R392-E568 PolarHBondContact NE-O 2.75Å; R392-E568 PolarHBondContact NH2-O 2.96Å; L564-E568 PolarHBondContact O-N 2.62Å; S565-E568 WeakPolarHBondContact O-CB 3.08Å; L566-E568 VanDerWaalsContact C-N 3.27Å
569	E	92.8	Very high	93.3	Very high	97 Å²	97	43.5 Å²	43.5	45%	0.453	21%	0.21	S	C	.	.	H	α-helix	trans	-78.5	-47.2	-177.4	-172.1	-179.7	157.3	0	0	113.8	R392 S565 L566 L567	R392-E569 PolarHBondContact NE-O 3.05Å; R392-E569 PolarHBondContact NH1-O 3.22Å; S565-E569 PolarHBondContact O-N 3.1Å; L566-E569 PolarHBondContact O-N 2.95Å; L567-E569 VanDerWaalsContact C-N 3.3Å; L567-E569 PolarHBondContact O-N 3.19Å
570	Y	92.6	Very high	94	Very high	46 Å²	46	40.1 Å²	40.1	18%	0.18	20%	0.195	C	C	.	.	H	α-helix	trans	-102.1	-8.2	-170.4	-61.2	-59	0	0	0	114.3	V395 R396 E399 L566	V395-Y570 WeakPolarHBondContact CA-O 3.27Å; R396-Y570 PolarHBondContact N-O 2.74Å; R396-Y570 WeakPolarHBondContact O-CB 3.15Å; E399-Y570 HydrophobicContact CB-CD1 4.22Å; E399-Y570 HydrophobicContact CB-CD2 3.67Å; E399-Y570 HydrophobicContact CB-CE1 4.48Å; E399-Y570 HydrophobicContact CB-CE2 3.94Å; E399-Y570 HydrophobicContact CB-CG 3.84Å; L566-Y570 HydrophobicContact CB-CD2 4.2Å; L566-Y570 HydrophobicContact CD2-CE2 4.14Å; L566-Y570 WeakPolarHBondContact O-CB 3.42Å; L566-Y570 WeakPolarHBondContact O-CD2 3.15Å; L566-Y570 PolarHBondContact O-N 3.26Å
571	G	94.2	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.			trans	75.4	176	-179	0	0	0	0	0	113.7	P389 L567	P389-G571 CarbonylContact O-C 3.5Å; P389-G571 WeakPolarHBondContact O-CA 3.46Å; L567-G571 VanDerWaalsContact O-CA 3.24Å; L567-G571 WeakPolarHBondContact O-CA 3.36Å; L567-G571 PolarHBondContact O-N 2.99Å
572	C	94.9	Very high	94.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	21%	0.206	C	C	.	.			trans	-152.4	168.3	178.9	70.8	0	0	0	0	112.7	P389 S390 L567 L576	P389-C572 PolarHBondContact O-N 2.63Å; S390-C572 VanDerWaalsContact CA-O 3.3Å; S390-C572 WeakPolarHBondContact CA-O 3.15Å; L567-C572 HydrophobicContact CD2-CB 3.74Å; C572-L576 HydrophobicContact CB-CD2 4.09Å
573	C	93.9	Very high	95	Very high	45 Å²	45	43.1 Å²	43.1	30%	0.304	21%	0.206	S	C	.	.			trans	-62.7	150.9	178.1	69.4	0	0	0	0	111.6	E575 L576 A577	C573-E575 PolarHBondContact O-N 3.37Å; C573-E575 VanDerWaalsContact O-N 3.1Å; C573-L576 PolarHBondContact O-N 3.07Å; C573-L576 VanDerWaalsContact SG-CB 3.56Å; C573-L576 PolarHBondContact SG-N 3.03Å; C573-L576 VanDerWaalsContact SG-N 3.39Å; C573-A577 PolarHBondContact O-N 2.86Å
574	K	94.3	Very high	95.2	Very high	170 Å²	170	44 Å²	44	74%	0.739	21%	0.209	S	C	*	.	H	α-helix	trans	-53.6	-34.8	179.1	-69.2	-177.6	179.8	179.4	0	112.4	S578	K574-S578 WeakPolarHBondContact O-CB 3.25Å; K574-S578 PolarHBondContact O-N 3.48Å
575	E	93.4	Very high	95.2	Very high	74 Å²	74	47.1 Å²	47.1	35%	0.346	23%	0.228	S	C	.	.	H	α-helix	trans	-63.6	-54.6	179.8	-171.5	-179.7	-160.3	0	0	112.3	Y552 C573 A577 S578 R579	Y552-E575 PolarHBondContact OH-OE1 3.48Å; Y552-E575 PolarHBondContact OH-OE2 3.26Å; Y552-E575 VanDerWaalsContact OH-OE2 3.1Å; C573-E575 PolarHBondContact O-N 3.37Å; C573-E575 VanDerWaalsContact O-N 3.1Å; E575-A577 VanDerWaalsContact C-N 3.33Å; E575-A577 PolarHBondContact O-N 2.66Å; E575-S578 WeakPolarHBondContact O-CB 3.49Å; E575-S578 PolarHBondContact O-N 3.35Å; E575-R579 WeakPolarHBondContact O-CG 3.32Å; E575-R579 PolarHBondContact O-N 2.98Å; E575-R579 VanDerWaalsContact O-N 3.1Å; E575-R579 IonicContact OE1-CZ 2.62Å; E575-R579 IonicContact OE1-NH1 3.67Å; E575-R579 PolarHBondContact OE1-NH1 3.41Å; E575-R579 IonicContact OE1-NH2 2.75Å; E575-R579 PolarHBondContact OE1-NH2 2.79Å
576	L	95.1	Very high	95.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-42.4	177.3	179.3	55.5	0	0	0	110.8	L541 Y552 Y562 L567 C572 C573 S578 R579 L580	L541-L576 HydrophobicContact CD2-CD1 3.77Å; Y552-L576 HydrophobicContact CD2-CD1 4.31Å; Y552-L576 HydrophobicContact CG-CD1 4.08Å; Y562-L576 HydrophobicContact CD2-CD2 3.89Å; Y562-L576 HydrophobicContact CE2-CD2 3.97Å; L567-L576 HydrophobicContact CD1-CD2 4.38Å; L567-L576 HydrophobicContact CD2-CD2 4.41Å; C572-L576 HydrophobicContact CB-CD2 4.09Å; C573-L576 PolarHBondContact O-N 3.07Å; C573-L576 VanDerWaalsContact SG-CB 3.56Å; C573-L576 PolarHBondContact SG-N 3.03Å; C573-L576 VanDerWaalsContact SG-N 3.39Å; L576-S578 VanDerWaalsContact C-N 3.31Å; L576-S578 PolarHBondContact O-N 2.95Å; L576-R579 PolarHBondContact O-N 3.1Å; L576-L580 HydrophobicContact CD1-CD1 4.43Å; L576-L580 HydrophobicContact CD1-CG 4.25Å; L576-L580 HydrophobicContact CG-CD1 4.16Å; L576-L580 HydrophobicContact CG-CG 4.45Å; L576-L580 WeakPolarHBondContact O-CG 3.29Å; L576-L580 PolarHBondContact O-N 3.02Å
577	A	96.4	Very high	95.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175.8	0	0	0	0	0	112.6	P389 C573 E575 L580 R581	P389-A577 HydrophobicContact CG-CB 4.32Å; C573-A577 PolarHBondContact O-N 2.86Å; E575-A577 VanDerWaalsContact C-N 3.33Å; E575-A577 PolarHBondContact O-N 2.66Å; A577-L580 PolarHBondContact O-N 3.41Å; A577-R581 WeakPolarHBondContact O-CG 3.49Å; A577-R581 PolarHBondContact O-N 3.39Å; A577-R581 VanDerWaalsContact O-N 3.07Å
578	S	96.6	Very high	95.4	Very high	59 Å²	59	46 Å²	46	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-44.2	175.6	-166.6	0	0	0	0	112.1	K574 E575 L576 L580 R581 Y582	K574-S578 WeakPolarHBondContact O-CB 3.25Å; K574-S578 PolarHBondContact O-N 3.48Å; E575-S578 WeakPolarHBondContact O-CB 3.49Å; E575-S578 PolarHBondContact O-N 3.35Å; L576-S578 VanDerWaalsContact C-N 3.31Å; L576-S578 PolarHBondContact O-N 2.95Å; S578-L580 VanDerWaalsContact C-N 3.35Å; S578-L580 PolarHBondContact O-N 3.31Å; S578-R581 VanDerWaalsContact CA-NH2 3.32Å; S578-R581 WeakPolarHBondContact O-CB 3.49Å; S578-R581 PolarHBondContact O-N 2.89Å; S578-Y582 PolarHBondContact O-N 3.48Å
579	R	96.8	Very high	95.4	Very high	21 Å²	21	48.5 Å²	48.5	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-34.5	177.8	-66.3	173.3	163.3	66.1	-9.5	112.4	F534 D537 T539 L541 Y552 E575 L576 Y582 A583	F534-R579 HydrophobicContact CE1-CG 4.4Å; F534-R579 HydrophobicContact CE2-CB 4.19Å; F534-R579 HydrophobicContact CE2-CG 3.89Å; F534-R579 HydrophobicContact CZ-CB 3.96Å; F534-R579 HydrophobicContact CZ-CG 3.78Å; D537-R579 IonicContact OD1-NH2 2.99Å; D537-R579 PolarHBondContact OD1-NH2 3.2Å; D537-R579 VanDerWaalsContact OD1-NH2 3.13Å; D537-R579 IonicContact OD2-CZ 3.7Å; D537-R579 IonicContact OD2-NH2 3.85Å; D537-R579 PolarHBondContact OD2-NH2 3.1Å; T539-R579 VanDerWaalsContact CG2-NH2 3.26Å; T539-R579 VanDerWaalsContact OG1-CZ 3.24Å; T539-R579 PolarHBondContact OG1-NE 3.03Å; T539-R579 PolarHBondContact OG1-NH2 3.38Å; L541-R579 HydrophobicContact CD1-CB 3.52Å; L541-R579 HydrophobicContact CG-CB 4.13Å; Y552-R579 PolarHBondContact OH-NE 3.16Å; E575-R579 WeakPolarHBondContact O-CG 3.32Å; E575-R579 PolarHBondContact O-N 2.98Å; E575-R579 VanDerWaalsContact O-N 3.1Å; E575-R579 IonicContact OE1-CZ 2.62Å; E575-R579 IonicContact OE1-NH1 3.67Å; E575-R579 PolarHBondContact OE1-NH1 3.41Å; E575-R579 IonicContact OE1-NH2 2.75Å; E575-R579 PolarHBondContact OE1-NH2 2.79Å; L576-R579 PolarHBondContact O-N 3.1Å; R579-Y582 PolarHBondContact O-N 3.42Å; R579-A583 VanDerWaalsContact O-CB 3.25Å; R579-A583 WeakPolarHBondContact O-CB 3.43Å; R579-A583 PolarHBondContact O-N 3.4Å
580	L	97.4	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-36.6	173.2	-72.5	172.4	0	0	0	112.7	L381 V384 N385 V550 L564 L567 L576 A577 S578 A583 R584	L381-L580 HydrophobicContact CD2-CD2 3.81Å; V384-L580 HydrophobicContact CG1-CD1 4.06Å; N385-L580 PolarHBondContact ND2-O 3.31Å; V550-L580 HydrophobicContact CB-CD2 4.29Å; V550-L580 HydrophobicContact CG1-CD2 4.2Å; V550-L580 HydrophobicContact CG2-CD2 4.04Å; L564-L580 HydrophobicContact CD2-CD2 4.31Å; L567-L580 HydrophobicContact CD1-CD1 4.19Å; L576-L580 HydrophobicContact CD1-CD1 4.43Å; L576-L580 HydrophobicContact CD1-CG 4.25Å; L576-L580 HydrophobicContact CG-CD1 4.16Å; L576-L580 HydrophobicContact CG-CG 4.45Å; L576-L580 WeakPolarHBondContact O-CG 3.29Å; L576-L580 PolarHBondContact O-N 3.02Å; A577-L580 PolarHBondContact O-N 3.41Å; S578-L580 VanDerWaalsContact C-N 3.35Å; S578-L580 PolarHBondContact O-N 3.31Å; L580-A583 PolarHBondContact O-N 3.23Å; L580-R584 PolarHBondContact O-N 3.2Å
581	R	97.8	Very high	95.1	Very high	116 Å²	116	44 Å²	44	44%	0.438	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-47.4	170.9	-72.4	-172.6	-63.3	-90	4.6	111.3	N385 A577 S578 A583 R584 T585	N385-R581 HydrophobicContact CB-CG 4.42Å; N385-R581 VanDerWaalsContact OD1-CG 3.28Å; N385-R581 WeakPolarHBondContact OD1-CG 3.43Å; N385-R581 PolarHBondContact OD1-N 3.04Å; A577-R581 WeakPolarHBondContact O-CG 3.49Å; A577-R581 PolarHBondContact O-N 3.39Å; A577-R581 VanDerWaalsContact O-N 3.07Å; S578-R581 VanDerWaalsContact CA-NH2 3.32Å; S578-R581 WeakPolarHBondContact O-CB 3.49Å; S578-R581 PolarHBondContact O-N 2.89Å; R581-A583 VanDerWaalsContact C-N 3.31Å; R581-A583 PolarHBondContact O-N 3.46Å; R581-R584 WeakPolarHBondContact O-CB 3.47Å; R581-R584 PolarHBondContact O-N 2.97Å; R581-T585 PolarHBondContact O-N 3.02Å; R581-T585 PolarHBondContact O-OG1 3.44Å
582	Y	97.8	Very high	94.6	Very high	47 Å²	47	47 Å²	47	18%	0.184	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-45.1	175.8	-179.8	-91.8	0	0	0	111.5	T517 A520 I532 F534 S578 R579 R584 T585 M586	T517-Y582 WeakPolarHBondContact CB-OH 3.26Å; T517-Y582 VanDerWaalsContact CG2-OH 3.29Å; T517-Y582 WeakPolarHBondContact CG2-OH 3.41Å; T517-Y582 PolarHBondContact OG1-OH 2.82Å; A520-Y582 HydrophobicContact CB-CE1 3.99Å; I532-Y582 HydrophobicContact CD1-CD1 4.47Å; I532-Y582 HydrophobicContact CG2-CD1 4.32Å; I532-Y582 HydrophobicContact CG2-CE1 3.93Å; F534-Y582 AromaticContact CE1-CD1 3.55Å; F534-Y582 HydrophobicContact CE1-CD1 3.55Å; F534-Y582 AromaticContact CE1-CE1 3.82Å; F534-Y582 HydrophobicContact CE1-CE1 3.82Å; F534-Y582 HydrophobicContact CE1-CG 4.05Å; F534-Y582 AromaticContact CZ-CD1 3.73Å; F534-Y582 HydrophobicContact CZ-CD1 3.73Å; F534-Y582 HydrophobicContact CZ-CE1 4.24Å; F534-Y582 HydrophobicContact CZ-CG 4.41Å; S578-Y582 PolarHBondContact O-N 3.48Å; R579-Y582 PolarHBondContact O-N 3.42Å; Y582-R584 VanDerWaalsContact C-N 3.34Å; Y582-R584 PolarHBondContact O-N 3.18Å; Y582-T585 WeakPolarHBondContact O-CB 3.28Å; Y582-T585 PolarHBondContact O-N 3.31Å; Y582-T585 VanDerWaalsContact O-N 3.16Å; Y582-M586 HydrophobicContact CD1-CG 3.81Å; Y582-M586 HydrophobicContact CD2-CE 4.31Å; Y582-M586 HydrophobicContact CE1-CE 4.33Å; Y582-M586 HydrophobicContact CE1-CG 3.34Å; Y582-M586 HydrophobicContact CE1-SD 3.94Å; Y582-M586 HydrophobicContact CE2-CE 3.83Å; Y582-M586 HydrophobicContact CE2-SD 4.3Å; Y582-M586 WeakPolarHBondContact O-CG 3.29Å; Y582-M586 PolarHBondContact O-N 3.46Å; Y582-M586 PolarHBondContact OH-SD 3.21Å
583	A	97.6	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-41.1	179.9	0	0	0	0	0	112.2	L381 I532 L541 L543 R579 L580 R581 T585 M586 V587	L381-A583 HydrophobicContact CD1-CB 4.44Å; I532-A583 HydrophobicContact CD1-CB 3.54Å; L541-A583 HydrophobicContact CD1-CB 4.11Å; L543-A583 HydrophobicContact CD1-CB 4Å; R579-A583 VanDerWaalsContact O-CB 3.25Å; R579-A583 WeakPolarHBondContact O-CB 3.43Å; R579-A583 PolarHBondContact O-N 3.4Å; L580-A583 PolarHBondContact O-N 3.23Å; R581-A583 VanDerWaalsContact C-N 3.31Å; R581-A583 PolarHBondContact O-N 3.46Å; A583-T585 VanDerWaalsContact C-N 3.33Å; A583-T585 PolarHBondContact O-N 2.97Å; A583-M586 PolarHBondContact O-N 3.05Å; A583-M586 VanDerWaalsContact O-N 3.1Å; A583-V587 WeakPolarHBondContact O-CG2 3.41Å; A583-V587 PolarHBondContact O-N 3.18Å
584	R	97.3	Very high	92.2	Very high	90 Å²	90	51.5 Å²	51.5	34%	0.34	25%	0.251	S	S	.	.	H	α-helix	trans	-54.2	-49.7	173.1	-176.6	-163	154.7	157.5	-3.5	111.3	L378 L381 H382 L580 R581 Y582 M586 V587 D588	L378-R584 HydrophobicContact CD1-CG 3.71Å; L381-R584 HydrophobicContact CB-CB 4.03Å; L381-R584 HydrophobicContact CB-CG 4.24Å; L381-R584 HydrophobicContact CD1-CB 4.42Å; H382-R584 PolarHBondContact CE1-NH1 3.31Å; H382-R584 PolarHBondContact ND1-NH1 2.95Å; H382-R584 PolarHBondContact ND1-NH2 3.43Å; H382-R584 VanDerWaalsContact ND1-NH2 3.16Å; L580-R584 PolarHBondContact O-N 3.2Å; R581-R584 WeakPolarHBondContact O-CB 3.47Å; R581-R584 PolarHBondContact O-N 2.97Å; Y582-R584 VanDerWaalsContact C-N 3.34Å; Y582-R584 PolarHBondContact O-N 3.18Å; R584-M586 VanDerWaalsContact C-N 3.28Å; R584-M586 PolarHBondContact O-N 3.34Å; R584-V587 PolarHBondContact O-N 3.37Å; R584-D588 WeakPolarHBondContact O-CB 3.47Å; R584-D588 PolarHBondContact O-N 2.91Å
585	T	96.8	Very high	90.5	Very high	69 Å²	69	46 Å²	46	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-37.2	178.2	-52.6	0	0	0	0	111.8	R581 Y582 A583 K589	R581-T585 PolarHBondContact O-N 3.02Å; R581-T585 PolarHBondContact O-OG1 3.44Å; Y582-T585 WeakPolarHBondContact O-CB 3.28Å; Y582-T585 PolarHBondContact O-N 3.31Å; Y582-T585 VanDerWaalsContact O-N 3.16Å; A583-T585 VanDerWaalsContact C-N 3.33Å; A583-T585 PolarHBondContact O-N 2.97Å; T585-K589 WeakPolarHBondContact O-CG 3.4Å; T585-K589 PolarHBondContact O-N 3.17Å; T585-K589 VanDerWaalsContact O-N 3.11Å
586	M	96.3	Very high	88.2	Confident	5 Å²	5	45 Å²	45	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-39.2	178.6	-65.5	-49	103.2	0	0	112.6	F515 T517 I522 I532 Y582 A583 R584 D588 K589 L590	F515-M586 HydrophobicContact CE2-SD 3.77Å; F515-M586 HydrophobicContact CZ-CB 4.32Å; F515-M586 HydrophobicContact CZ-SD 3.93Å; T517-M586 HydrophobicContact CG2-SD 3.69Å; I522-M586 HydrophobicContact CD1-CG 4.05Å; I522-M586 HydrophobicContact CD1-SD 3.86Å; I522-M586 HydrophobicContact CG1-CB 3.93Å; I522-M586 HydrophobicContact CG1-CG 3.75Å; I522-M586 HydrophobicContact CG1-SD 4.11Å; I532-M586 HydrophobicContact CD1-CB 4.28Å; I532-M586 HydrophobicContact CD1-CG 4.39Å; Y582-M586 HydrophobicContact CD1-CG 3.81Å; Y582-M586 HydrophobicContact CD2-CE 4.31Å; Y582-M586 HydrophobicContact CE1-CE 4.33Å; Y582-M586 HydrophobicContact CE1-CG 3.34Å; Y582-M586 HydrophobicContact CE1-SD 3.94Å; Y582-M586 HydrophobicContact CE2-CE 3.83Å; Y582-M586 HydrophobicContact CE2-SD 4.3Å; Y582-M586 WeakPolarHBondContact O-CG 3.29Å; Y582-M586 PolarHBondContact O-N 3.46Å; Y582-M586 PolarHBondContact OH-SD 3.21Å; A583-M586 PolarHBondContact O-N 3.05Å; A583-M586 VanDerWaalsContact O-N 3.1Å; R584-M586 VanDerWaalsContact C-N 3.28Å; R584-M586 PolarHBondContact O-N 3.34Å; M586-D588 VanDerWaalsContact C-N 3.34Å; M586-K589 HydrophobicContact CE-CD 4.15Å; M586-K589 PolarHBondContact O-N 3.3Å; M586-K589 HydrophobicContact SD-CD 4.37Å; M586-L590 PolarHBondContact O-N 2.93Å
587	V	94.8	Very high	86	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-40.2	175.3	174.3	0	0	0	0	110.8	L374 M377 L378 L381 L543 A583 R584 K589 L590 L591	L374-V587 HydrophobicContact CD2-CG1 4.34Å; M377-V587 HydrophobicContact CB-CG1 4.27Å; M377-V587 HydrophobicContact CG-CG1 4.37Å; M377-V587 HydrophobicContact CG-CG2 4.24Å; M377-V587 HydrophobicContact SD-CG1 4.27Å; M377-V587 HydrophobicContact SD-CG2 3.56Å; M377-V587 VanDerWaalsContact SD-CG2 3.56Å; L378-V587 HydrophobicContact CB-CG1 3.99Å; L378-V587 HydrophobicContact CD1-CG1 4.42Å; L381-V587 HydrophobicContact CD1-CB 4.4Å; L381-V587 HydrophobicContact CD1-CG2 3.88Å; L543-V587 HydrophobicContact CD1-CG2 4.18Å; A583-V587 WeakPolarHBondContact O-CG2 3.41Å; A583-V587 PolarHBondContact O-N 3.18Å; R584-V587 PolarHBondContact O-N 3.37Å; V587-K589 PolarHBondContact O-N 3.06Å; V587-K589 VanDerWaalsContact C-N 3.34Å; V587-L590 PolarHBondContact O-N 3.49Å; V587-L590 WeakPolarHBondContact O-CB 3.42Å; V587-L591 PolarHBondContact O-N 2.96Å
588	D	93.9	Very high	83.5	Confident	75 Å²	75	52.4 Å²	52.4	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-39.9	174.3	-171.4	55.1	0	0	0	112.7	L378 R584 M586 L591 S592	L378-D588 HydrophobicContact CD1-CB 4.03Å; L378-D588 HydrophobicContact CD2-CB 4.43Å; R584-D588 WeakPolarHBondContact O-CB 3.47Å; R584-D588 PolarHBondContact O-N 2.91Å; M586-D588 VanDerWaalsContact C-N 3.34Å; D588-L591 PolarHBondContact O-N 3.19Å; D588-S592 WeakPolarHBondContact O-CB 3.34Å; D588-S592 PolarHBondContact O-N 2.86Å; D588-S592 PolarHBondContact O-OG 3.43Å
589	K	93.1	Very high	80.6	Confident	103 Å²	103	58.5 Å²	58.5	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-41.3	172.1	-73.3	-179	-178.9	-171.8	0	112.7	F515 T585 M586 V587 L591 S592 S593	F515-K589 HydrophobicContact CZ-CB 4.19Å; T585-K589 WeakPolarHBondContact O-CG 3.4Å; T585-K589 PolarHBondContact O-N 3.17Å; T585-K589 VanDerWaalsContact O-N 3.11Å; M586-K589 HydrophobicContact CE-CD 4.15Å; M586-K589 PolarHBondContact O-N 3.3Å; M586-K589 HydrophobicContact SD-CD 4.37Å; V587-K589 PolarHBondContact O-N 3.06Å; V587-K589 VanDerWaalsContact C-N 3.34Å; K589-L591 VanDerWaalsContact C-N 3.3Å; K589-L591 PolarHBondContact O-N 3.37Å; K589-S592 PolarHBondContact O-N 3.33Å; K589-S593 WeakPolarHBondContact O-CB 3.39Å; K589-S593 PolarHBondContact O-N 3.5Å; K589-S593 PolarHBondContact O-OG 3.11Å
590	L	90.6	Very high	77.8	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-44.1	174.7	-76	172.2	0	0	0	111.1	L374 T513 F515 I522 H524 V530 M586 V587 S593	L374-L590 HydrophobicContact CD1-CB 4.17Å; L374-L590 HydrophobicContact CD2-CD1 4.24Å; T513-L590 HydrophobicContact CG2-CD2 3.87Å; F515-L590 HydrophobicContact CD1-CD2 3.98Å; F515-L590 HydrophobicContact CE1-CD2 3.56Å; F515-L590 HydrophobicContact CE1-CG 3.8Å; I522-L590 HydrophobicContact CG2-CD1 4.03Å; I522-L590 HydrophobicContact CG2-CG 4.44Å; H524-L590 HydrophobicContact CB-CD1 4.32Å; H524-L590 HydrophobicContact CB-CD2 4.44Å; V530-L590 HydrophobicContact CG1-CD1 4.09Å; V530-L590 HydrophobicContact CG2-CD1 3.93Å; M586-L590 PolarHBondContact O-N 2.93Å; V587-L590 PolarHBondContact O-N 3.49Å; V587-L590 WeakPolarHBondContact O-CB 3.42Å; L590-S593 PolarHBondContact O-OG 2.99Å
591	L	88.3	Confident	74.9	Confident	43 Å²	43	71.7 Å²	71.7	23%	0.225	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-46.2	177	-76.9	166.4	0	0	0	112.2	L374 L378 V587 D588 K589 R594 S595	L374-L591 HydrophobicContact CB-CD1 4.35Å; L374-L591 HydrophobicContact CB-CD2 3.54Å; L374-L591 HydrophobicContact CB-CG 3.87Å; L374-L591 HydrophobicContact CD1-CD2 4.27Å; L378-L591 HydrophobicContact CB-CD1 4.11Å; L378-L591 HydrophobicContact CD2-CD1 3.71Å; V587-L591 PolarHBondContact O-N 2.96Å; D588-L591 PolarHBondContact O-N 3.19Å; K589-L591 VanDerWaalsContact C-N 3.3Å; K589-L591 PolarHBondContact O-N 3.37Å; L591-R594 PolarHBondContact O-N 2.98Å; L591-S595 PolarHBondContact O-N 3.2Å
592	S	84	Confident	71.9	Confident	63 Å²	63	70.7 Å²	70.7	44%	0.441	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-43.3	-175.7	-64.6	0	0	0	0	113	D588 K589 R594 S595 A596	D588-S592 WeakPolarHBondContact O-CB 3.34Å; D588-S592 PolarHBondContact O-N 2.86Å; D588-S592 PolarHBondContact O-OG 3.43Å; K589-S592 PolarHBondContact O-N 3.33Å; S592-R594 PolarHBondContact O-N 3.37Å; S592-S595 PolarHBondContact O-OG 3.34Å; S592-S595 PolarHBondContact O-N 3.46Å; S592-S595 VanDerWaalsContact O-N 3.17Å; S592-A596 PolarHBondContact O-N 3.04Å
593	S	74.3	Confident	68.7	Low	64 Å²	64	75.1 Å²	75.1	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-58.5	-28.5	177.8	64.6	0	0	0	0	113.4	K589 L590 S597	K589-S593 WeakPolarHBondContact O-CB 3.39Å; K589-S593 PolarHBondContact O-N 3.5Å; K589-S593 PolarHBondContact O-OG 3.11Å; L590-S593 PolarHBondContact O-OG 2.99Å; S593-S597 PolarHBondContact O-N 2.98Å; S593-S597 PolarHBondContact O-OG 2.76Å
594	R	64.8	Low	67.3	Low	77 Å²	77	78.9 Å²	78.9	29%	0.291	44%	0.435	S	S	.	.	H	α-helix	trans	-80.6	-37.6	178.2	-167.5	177.2	-178.6	158.1	-2.7	113.3	D371 L591 S592 A596 S597 N598	D371-R594 VanDerWaalsContact CB-NH1 3.26Å; D371-R594 IonicContact OD1-NH1 3.2Å; D371-R594 PolarHBondContact OD1-NH1 3.43Å; D371-R594 IonicContact OD2-CZ 3.24Å; D371-R594 IonicContact OD2-NH1 3.13Å; D371-R594 PolarHBondContact OD2-NH1 3.4Å; D371-R594 IonicContact OD2-NH2 2.96Å; D371-R594 PolarHBondContact OD2-NH2 3.08Å; L591-R594 PolarHBondContact O-N 2.98Å; S592-R594 PolarHBondContact O-N 3.37Å; R594-A596 PolarHBondContact O-N 3.16Å; R594-S597 PolarHBondContact O-N 3.48Å; R594-N598 PolarHBondContact O-N 3.46Å
595	S	56.9	Low	65.7	Low	55 Å²	55	78.3 Å²	78.3	39%	0.385	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-28	176.1	77.2	0	0	0	0	112.6	L591 S592 R599	L591-S595 PolarHBondContact O-N 3.2Å; S592-S595 PolarHBondContact O-OG 3.34Å; S592-S595 PolarHBondContact O-N 3.46Å; S592-S595 VanDerWaalsContact O-N 3.17Å; S595-R599 WeakPolarHBondContact O-CG 3.43Å; S595-R599 PolarHBondContact O-N 3.43Å; S595-R599 PolarHBondContact O-NE 3.34Å
596	A	45	Very low	64	Low	52 Å²	52	78.8 Å²	78.8	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-74.7	-43.3	172.8	0	0	0	0	0	112.1	S592 R594 N598 R599 L600	S592-A596 PolarHBondContact O-N 3.04Å; R594-A596 PolarHBondContact O-N 3.16Å; A596-N598 PolarHBondContact O-N 3.17Å; A596-R599 PolarHBondContact O-N 3.49Å; A596-L600 PolarHBondContact O-N 3.4Å
597	S	50.5	Low	62.1	Low	66 Å²	66	83.1 Å²	83.1	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-67.1	-34.2	178.3	-65.2	0	0	0	0	113.4	S593 R594 K601	S593-S597 PolarHBondContact O-N 2.98Å; S593-S597 PolarHBondContact O-OG 2.76Å; R594-S597 PolarHBondContact O-N 3.48Å; S597-K601 PolarHBondContact O-N 3.06Å
598	N	42.3	Very low	60.1	Low	90 Å²	90	88.3 Å²	88.3	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-73.7	-30.6	177.3	-78.1	4.6	0	0	0	112.9	R594 A596 K601 A602	R594-N598 PolarHBondContact O-N 3.46Å; A596-N598 PolarHBondContact O-N 3.17Å; N598-K601 PolarHBondContact O-N 3.4Å; N598-A602 PolarHBondContact O-N 3.41Å
599	R	35.6	Very low	57.8	Low	186 Å²	186	89.2 Å²	89.2	70%	0.702	50%	0.501	S	S	*	.	H	α-helix	trans	-69	-35.8	174.4	-77.3	-176.3	-127.8	-157.4	0.7	112.6	S595 A596 K601 A602 S603	S595-R599 WeakPolarHBondContact O-CG 3.43Å; S595-R599 PolarHBondContact O-N 3.43Å; S595-R599 PolarHBondContact O-NE 3.34Å; A596-R599 PolarHBondContact O-N 3.49Å; R599-K601 VanDerWaalsContact C-N 3.27Å; R599-K601 PolarHBondContact O-N 3.49Å; R599-A602 PolarHBondContact O-N 3.46Å; R599-S603 PolarHBondContact O-N 3.42Å; R599-S603 PolarHBondContact O-OG 3.36Å
600	L	39.2	Very low	55.3	Low	129 Å²	129	88.2 Å²	88.2	68%	0.675	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.1	176.5	-79.1	155	0	0	0	114.2	A596	A596-L600 PolarHBondContact O-N 3.4Å
601	K	36.9	Very low	52.6	Low	170 Å²	170	94.5 Å²	94.5	74%	0.739	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-15.2	175.3	-73.7	-174.9	176.4	-173.5	0	113.5	S597 N598 R599	S597-K601 PolarHBondContact O-N 3.06Å; N598-K601 PolarHBondContact O-N 3.4Å; R599-K601 VanDerWaalsContact C-N 3.27Å; R599-K601 PolarHBondContact O-N 3.49Å
602	A	34.3	Very low	49.6	Very low	94 Å²	94	98.8 Å²	98.8	78%	0.777	57%	0.567	S	S	*	*			trans	-101.5	-5	-178.8	0	0	0	0	0	113.2	N598 R599	N598-A602 PolarHBondContact O-N 3.41Å; R599-A602 PolarHBondContact O-N 3.46Å
603	S	31.3	Very low	46.5	Very low	140 Å²	140	102.1 Å²	102.1	98%	0.979	58%	0.579	S	S	*	*			trans	-102.6	0	167.5	62.4	0	0	0	0	109.5	R599	R599-S603 PolarHBondContact O-N 3.42Å; R599-S603 PolarHBondContact O-OG 3.36Å

Retrieved 603 of 603 residues in 1369.9 ms (Link to these results)

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