A0A096MAU4_POEFO Loading...

Carboxypeptidase Z

AlphaFold DB , UniProt , Accession A0A096MAU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 659 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	35	Very low	37	Very low	238 Å²	238	146.6 Å²	146.6	100%	1.172	78%	0.78	S	S	*	*				0	93.5	0	-72	-178.7	71.5	0	0	106.5
2	L	33.8	Very low	38	Very low	160 Å²	160	148.5 Å²	148.5	84%	0.838	79%	0.789	S	S	*	*				63	131.9	87.8	-122.1	103.8	0	0	0	115
3	L	35.8	Very low	37.7	Very low	152 Å²	152	147.4 Å²	147.4	80%	0.796	80%	0.798	S	S	*	*			trans	90.8	126	166.8	-64.7	144.8	0	0	0	116.9
4	V	40.4	Very low	37.9	Very low	111 Å²	111	141.8 Å²	141.8	67%	0.673	79%	0.792	S	S	*	*			cis	143.8	125.1	-13.4	158.1	0	0	0	0	108.4
5	L	39.6	Very low	38.1	Very low	145 Å²	145	139.9 Å²	139.9	76%	0.759	80%	0.802	S	S	*	*			trans	61.8	125.9	151.3	-71	161.3	0	0	0	122.7
6	L	34.3	Very low	38.2	Very low	134 Å²	134	136.3 Å²	136.3	70%	0.702	79%	0.794	S	S	*	*				-173.3	118.7	91.1	-119	97.4	0	0	0	110.7
7	Q	37.2	Very low	38.5	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	79%	0.792	S	S	*	*				78.7	134.1	113.7	-79.5	-171.5	-3.7	0	0	116.8
8	M	33.5	Very low	38.9	Very low	142 Å²	142	142 Å²	142	70%	0.7	80%	0.802	S	S	*	*			cis	-165.2	142.4	8.6	-79.5	-106	-98.5	0	0	112.4
9	L	33.7	Very low	39.4	Very low	139 Å²	139	138.8 Å²	138.8	73%	0.728	79%	0.789	S	S	*	*			trans	44.3	112.4	142.2	-65.9	149.4	0	0	0	123.1
10	V	38.3	Very low	39.6	Very low	124 Å²	124	140 Å²	140	75%	0.752	79%	0.793	S	S	*	*				94.3	150.3	89.7	163	0	0	0	0	114.8
11	P	45.1	Very low	39.8	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	79%	0.788	S	S	*	*			cis	-133	-175.9	-37.9	36.4	-14.5	0	0	0	115.3
12	L	49.5	Very low	40.5	Very low	169 Å²	169	138.5 Å²	138.5	89%	0.885	78%	0.775	S	S	*	*			trans	-66.6	150.8	165.2	-73.7	98.1	0	0	0	113.5
13	C	34.5	Very low	41	Very low	134 Å²	134	137.9 Å²	137.9	91%	0.905	77%	0.771	S	S	*	*			trans	-159	133.8	148.7	-131.9	0	0	0	0	113.6
14	G	40.5	Very low	41.4	Very low	69 Å²	69	142.2 Å²	142.2	71%	0.711	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.3	168.6	0	0	0	0	0	111.8	A16	G14-A16 PolarHBondContact O-N 3.41Å
15	A	40.3	Very low	41.9	Very low	114 Å²	114	141 Å²	141	94%	0.942	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.8	119.3	-177.8	0	0	0	0	0	111.4
16	A	39.6	Very low	42.1	Very low	82 Å²	82	142.9 Å²	142.9	68%	0.678	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74	160.3	171.4	0	0	0	0	0	112	G14	G14-A16 PolarHBondContact O-N 3.41Å
17	P	44.3	Very low	42.6	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.5	142.5	173.6	28	-34.2	0	0	0	111.2	C19	P17-C19 PolarHBondContact O-N 3Å
18	R	44.7	Very low	42.7	Very low	258 Å²	258	144.1 Å²	144.1	97%	0.974	80%	0.801	S	S	*	*			trans	-76.5	101.9	174	-76.8	-176.7	174	175.2	-1.8	109.7
19	C	47.9	Very low	43.2	Very low	81 Å²	81	141.6 Å²	141.6	55%	0.547	80%	0.803	S	S	.	*			trans	-103.6	124.2	161.1	-66.1	0	0	0	0	108.2	P17 C27	P17-C19 PolarHBondContact O-N 3Å; C19-C27 PolarHBondContact SG-SG 3.09Å
20	D	44.2	Very low	43.6	Very low	162 Å²	162	139.8 Å²	139.8	87%	0.866	81%	0.808	S	S	*	*			trans	-84.5	129.6	174.6	-149	-6.6	0	0	0	109.1	W22	D20-W22 PolarHBondContact O-N 3.39Å
21	P	44.4	Very low	43.7	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	81%	0.81	S	S	*	*			trans	-92	101.9	-176	32.1	-24	0	0	0	109.6
22	W	48	Very low	43.6	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.909	81%	0.809	S	S	*	*	S	Bend	trans	-163.5	117.6	137.5	-112	48.3	0	0	0	109.6	D20	D20-W22 PolarHBondContact O-N 3.39Å
23	I	44.5	Very low	43.7	Very low	147 Å²	147	138.2 Å²	138.2	75%	0.754	81%	0.809	S	S	*	*	S	Bend	trans	78.9	109.5	169.5	-47.6	176.3	0	0	0	117.5
24	R	45	Very low	44.8	Very low	244 Å²	244	140.7 Å²	140.7	92%	0.921	81%	0.808	S	S	*	*	S	Bend	trans	43.9	88.6	159.7	-74.2	-176.8	172.3	177.5	-1.6	118.8	Q26	R24-Q26 PolarHBondContact O-N 3.32Å
25	G	51.3	Low	46	Very low	84 Å²	84	145.7 Å²	145.7	87%	0.866	81%	0.81	S	S	*	*				68.4	30	114	0	0	0	0	0	121.1
26	Q	43.6	Very low	47.8	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	78%	0.784	S	S	*	*			trans	-135.7	109.1	161.1	-78.1	-174.7	-13.9	0	0	111.4	R24 K28	R24-Q26 PolarHBondContact O-N 3.32Å; Q26-K28 PolarHBondContact O-N 3.31Å
27	C	44.4	Very low	50	Low	106 Å²	106	146.8 Å²	146.8	72%	0.716	78%	0.784	S	S	*	*			trans	-74.9	113.4	162.9	-61.6	0	0	0	0	107.2	C19 A29	C19-C27 PolarHBondContact SG-SG 3.09Å; C27-A29 PolarHBondContact O-N 3.28Å
28	K	39.5	Very low	52.3	Low	204 Å²	204	142.5 Å²	142.5	89%	0.887	76%	0.757	S	S	*	*			trans	-64.7	123.1	167.7	-88.7	-177.2	175.5	178.6	0	107.8	Q26	Q26-K28 PolarHBondContact O-N 3.31Å
29	A	43.3	Very low	54.5	Low	90 Å²	90	133.4 Å²	133.4	74%	0.744	73%	0.73	S	S	*	*			trans	-53.6	143.8	163.7	0	0	0	0	0	108.7	C27 A31	C27-A29 PolarHBondContact O-N 3.28Å; A29-A31 PolarHBondContact O-N 3.46Å; A29-A31 VanDerWaalsContact O-N 3.08Å
30	A	42.5	Very low	56.6	Low	100 Å²	100	133.4 Å²	133.4	83%	0.826	73%	0.725	S	S	*	*			trans	-44.3	121.4	171	0	0	0	0	0	108.6	A32	A30-A32 PolarHBondContact O-N 3.25Å; A30-A32 VanDerWaalsContact O-N 3.15Å
31	A	41	Very low	58.8	Low	95 Å²	95	126.4 Å²	126.4	79%	0.785	69%	0.687	S	S	*	*			trans	-53.1	125.1	177.8	0	0	0	0	0	107.8	A29 E33	A29-A31 PolarHBondContact O-N 3.46Å; A29-A31 VanDerWaalsContact O-N 3.08Å; A31-E33 PolarHBondContact O-N 2.87Å
32	A	42.8	Very low	60.9	Low	90 Å²	90	126.1 Å²	126.1	74%	0.744	68%	0.679	S	S	*	*			trans	-53.4	129.7	171	0	0	0	0	0	108.2	A30 E34	A30-A32 PolarHBondContact O-N 3.25Å; A30-A32 VanDerWaalsContact O-N 3.15Å; A32-E34 PolarHBondContact O-N 3.46Å
33	E	50.4	Low	62.8	Low	192 Å²	192	114.9 Å²	114.9	90%	0.897	64%	0.637	S	S	*	*			trans	-54.4	105.7	171.9	-75.2	179.5	159.1	0	0	108.6	A31 K35	A31-E33 PolarHBondContact O-N 2.87Å; E33-K35 PolarHBondContact O-N 3.24Å
34	E	59.3	Low	64.8	Low	186 Å²	186	112.2 Å²	112.2	87%	0.869	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-63.4	122.5	171.2	-77.4	-169.5	150.7	0	0	108	A32	A32-E34 PolarHBondContact O-N 3.46Å
35	K	65.8	Low	66.9	Low	175 Å²	175	102.7 Å²	102.7	76%	0.761	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-58.6	134.5	175.2	-69.1	-175.2	178.6	-177	0	109.2	E33 K37	E33-K35 PolarHBondContact O-N 3.24Å; K35-K37 PolarHBondContact O-N 3.26Å
36	P	76.5	Confident	68.9	Low	61 Å²	61	98.7 Å²	98.7	40%	0.396	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-61.2	131.9	-179.9	26	-33.9	0	0	0	110	M55 F56	P36-M55 HydrophobicContact CB-CG 4Å; P36-M55 HydrophobicContact CB-SD 3.81Å; P36-M55 HydrophobicContact CG-SD 4.4Å; P36-F56 VanDerWaalsContact CB-O 3.3Å; P36-F56 WeakPolarHBondContact CB-O 3.43Å
37	K	86.1	Confident	71	Confident	158 Å²	158	94.9 Å²	94.9	69%	0.687	54%	0.54	S	S	*	.			trans	-119.1	146.9	179.9	-68	179.2	-175.8	172	0	109.2	K35 T39	K35-K37 PolarHBondContact O-N 3.26Å; K37-T39 PolarHBondContact O-N 2.87Å
38	C	92.2	Very high	73	Confident	26 Å²	26	94 Å²	94	18%	0.176	53%	0.528	C	S	.	.			trans	-63.3	132.1	169.5	-46.1	0	0	0	0	110.3	R53 T54 C104 G106	C38-R53 HydrophobicContact CB-CB 4.34Å; C38-T54 CarbonylContact C-O 3.58Å; C38-T54 WeakPolarHBondContact CA-O 3.3Å; C38-C104 HydrophobicContact CB-CB 3.7Å; C38-C104 WeakPolarHBondContact CB-SG 3.34Å; C38-C104 WeakPolarHBondContact SG-CB 3.24Å; C38-C104 CovalentContact SG-SG 2.03Å; C38-C104 PolarHBondContact SG-SG 3.27Å; C38-G106 PolarHBondContact SG-O 3.39Å
39	T	91.4	Very high	75.5	Confident	67 Å²	67	84.8 Å²	84.8	41%	0.411	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	166.9	174.8	58.3	0	0	0	0	109.9	K37 R53 T54	K37-T39 PolarHBondContact O-N 2.87Å; T39-R53 CarbonylContact O-C 3.39Å; T39-R53 VanDerWaalsContact O-CA 3.31Å; T39-R53 WeakPolarHBondContact O-CA 3.36Å; T39-T54 PolarHBondContact N-O 3.49Å; T39-T54 PolarHBondContact O-N 3.28Å; T39-T54 VanDerWaalsContact O-O 3.09Å
40	D	91.4	Very high	77.6	Confident	82 Å²	82	84.3 Å²	84.3	44%	0.439	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	149.3	174.7	-58.3	-42.1	0	0	0	111.2	L42 T52 R53	D40-L42 PolarHBondContact O-N 3.43Å; D40-T52 CarbonylContact C-O 3.57Å; D40-T52 WeakPolarHBondContact CA-O 3.03Å; D40-R53 WeakPolarHBondContact OD1-CD 3.04Å; D40-R53 IonicContact OD1-CZ 3.03Å; D40-R53 IonicContact OD1-NE 3.56Å; D40-R53 IonicContact OD1-NH1 2.76Å; D40-R53 PolarHBondContact OD1-NH1 3.41Å; D40-R53 IonicContact OD2-NH1 3.58Å
41	I	91.2	Very high	79.9	Confident	15 Å²	15	80.4 Å²	80.4	8%	0.077	44%	0.442	C	S	.	.			trans	-69.9	117	171.3	-58	171.6	0	0	0	107.6	L43 C46 M49 Y51 T52 T54 A101	I41-L43 HydrophobicContact CG2-CB 4.31Å; I41-C46 HydrophobicContact CG2-CB 4.32Å; I41-C46 WeakPolarHBondContact CG2-O 3.2Å; I41-M49 HydrophobicContact CD1-CB 4.22Å; I41-Y51 HydrophobicContact CD1-CD2 3.79Å; I41-Y51 HydrophobicContact CD1-CE2 3.62Å; I41-Y51 WeakPolarHBondContact CD1-O 3.32Å; I41-T52 PolarHBondContact N-O 3.45Å; I41-T54 HydrophobicContact CB-CG2 4.43Å; I41-T54 HydrophobicContact CG1-CG2 3.81Å; I41-A101 HydrophobicContact CG2-CB 4.35Å
42	L	88	Confident	82.3	Confident	101 Å²	101	80.7 Å²	80.7	53%	0.529	43%	0.434	S	S	.	.			trans	-120.8	17.1	177.2	-58.2	172.8	0	0	0	111.7	D40 R65	D40-L42 PolarHBondContact O-N 3.43Å; L42-R65 VanDerWaalsContact CB-CZ 3.41Å; L42-R65 PolarHBondContact O-NE 3.13Å; L42-R65 PolarHBondContact O-NH2 3.41Å
43	L	89.6	Confident	84.7	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.016	42%	0.419	C	S	.	.			trans	-85	108.1	170.8	-68.9	176.5	0	0	0	107.2	I41 Y45 C46 D47 R65 E69 Y74 A101	I41-L43 HydrophobicContact CG2-CB 4.31Å; L43-Y45 PolarHBondContact O-N 2.78Å; L43-C46 HydrophobicContact CB-CB 4.21Å; L43-C46 CarbonylContact O-C 3.54Å; L43-C46 PolarHBondContact O-N 2.68Å; L43-D47 PolarHBondContact O-N 3.28Å; L43-R65 HydrophobicContact CD2-CG 4.17Å; L43-E69 HydrophobicContact CD2-CB 4.45Å; L43-E69 HydrophobicContact CD2-CG 3.23Å; L43-Y74 HydrophobicContact CB-CE2 3.72Å; L43-Y74 HydrophobicContact CD1-CD2 4.29Å; L43-Y74 HydrophobicContact CD1-CE2 4.12Å; L43-Y74 HydrophobicContact CD2-CD2 4.33Å; L43-Y74 HydrophobicContact CD2-CE2 3.92Å; L43-Y74 HydrophobicContact CG-CE2 4.13Å; L43-A101 HydrophobicContact CD1-CB 4.06Å
44	S	86.5	Confident	86.8	Confident	92 Å²	92	72.8 Å²	72.8	64%	0.643	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.6	-170.8	58.6	0	0	0	0	115	Y74	S44-Y74 PolarHBondContact N-OH 2.87Å; S44-Y74 PolarHBondContact OG-OH 2.84Å
45	Y	88.4	Confident	88.3	Confident	44 Å²	44	64.3 Å²	64.3	17%	0.173	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.5	179.7	-159.4	-101.6	0	0	0	113.4	L43 Y74 I77 E81 R93	L43-Y45 PolarHBondContact O-N 2.78Å; Y45-Y74 PolarHBondContact N-OH 3.28Å; Y45-Y74 VanDerWaalsContact N-OH 3.12Å; Y45-I77 HydrophobicContact CD1-CG2 3.69Å; Y45-I77 VanDerWaalsContact CE1-C 3.46Å; Y45-I77 HydrophobicContact CE1-CG2 3.68Å; Y45-I77 WeakPolarHBondContact CE1-O 3.36Å; Y45-I77 PolarHBondContact OH-O 2.92Å; Y45-E81 PolarHBondContact OH-OE2 2.83Å; Y45-R93 HydrophobicContact CD1-CG 3.89Å; Y45-R93 HydrophobicContact CE1-CB 4.28Å; Y45-R93 HydrophobicContact CE1-CG 3.35Å; Y45-R93 PolarHBondContact O-NH1 3.49Å
46	C	92.3	Very high	89.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-127.4	14.6	-177.9	-59.8	0	0	0	0	112.3	I41 L43 D48 M49 C97 A101	I41-C46 HydrophobicContact CG2-CB 4.32Å; I41-C46 WeakPolarHBondContact CG2-O 3.2Å; L43-C46 HydrophobicContact CB-CB 4.21Å; L43-C46 CarbonylContact O-C 3.54Å; L43-C46 PolarHBondContact O-N 2.68Å; C46-D48 VanDerWaalsContact C-N 3.3Å; C46-M49 HydrophobicContact CB-CG 4.41Å; C46-M49 VanDerWaalsContact O-CG 3.24Å; C46-M49 WeakPolarHBondContact O-CG 3.27Å; C46-C97 WeakPolarHBondContact CA-SG 3.39Å; C46-C97 HydrophobicContact CB-CB 3.6Å; C46-C97 WeakPolarHBondContact CB-SG 3.47Å; C46-C97 VanDerWaalsContact SG-CA 3.53Å; C46-C97 WeakPolarHBondContact SG-CB 3.32Å; C46-C97 CovalentContact SG-SG 2.04Å; C46-C97 PolarHBondContact SG-SG 3.43Å; C46-A101 HydrophobicContact CB-CB 4.4Å
47	D	88.3	Confident	90.3	Very high	105 Å²	105	58 Å²	58	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.4	-174.1	63.1	-11.4	0	0	0	113.6	L43	L43-D47 PolarHBondContact O-N 3.28Å
48	D	87.3	Confident	90.6	Very high	88 Å²	88	50.8 Å²	50.8	47%	0.471	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	15.8	178.1	69.4	-27.9	0	0	0	113.8	C46 R93	C46-D48 VanDerWaalsContact C-N 3.3Å; D48-R93 IonicContact OD1-CZ 3.51Å; D48-R93 IonicContact OD1-NH1 3.5Å; D48-R93 PolarHBondContact OD1-NH1 3.22Å; D48-R93 IonicContact OD1-NH2 3.57Å; D48-R93 IonicContact OD2-CZ 2.7Å; D48-R93 IonicContact OD2-NH1 2.65Å; D48-R93 PolarHBondContact OD2-NH1 2.92Å; D48-R93 IonicContact OD2-NH2 3.74Å; D48-R93 PolarHBondContact OD2-NH2 3.41Å
49	M	90.5	Very high	90.6	Very high	11 Å²	11	50.8 Å²	50.8	5%	0.054	28%	0.278	C	S	.	.	S	Bend	trans	-62.9	154.5	172.6	-69.9	-63.3	-71.8	0	0	111.3	I41 C46 Y51 M94 C97 P155	I41-M49 HydrophobicContact CD1-CB 4.22Å; C46-M49 HydrophobicContact CB-CG 4.41Å; C46-M49 VanDerWaalsContact O-CG 3.24Å; C46-M49 WeakPolarHBondContact O-CG 3.27Å; M49-Y51 HydrophobicContact CB-CD1 4.36Å; M49-Y51 HydrophobicContact CB-CE1 4.07Å; M49-Y51 HydrophobicContact CB-CE2 4.45Å; M49-Y51 HydrophobicContact CE-CE1 3.65Å; M49-Y51 WeakPolarHBondContact CE-OH 3.5Å; M49-Y51 PolarHBondContact O-N 2.03Å; M49-M94 WeakPolarHBondContact CE-O 2.9Å; M49-M94 HydrophobicContact SD-CB 4.21Å; M49-M94 HydrophobicContact SD-CG 4.29Å; M49-C97 HydrophobicContact CE-CB 4.17Å; M49-C97 HydrophobicContact CG-CB 4.03Å; M49-C97 HydrophobicContact SD-CB 3.54Å; M49-C97 VanDerWaalsContact SD-CB 3.54Å; M49-P155 HydrophobicContact CE-CB 4.3Å
50	P	87.8	Confident	90.6	Very high	80 Å²	80	49 Å²	49	52%	0.519	27%	0.267	S	S	.	.	S	Bend	trans	-67	4.3	-179.9	26.5	-34.7	0	0	0	114.5
51	Y	90.7	Very high	90.6	Very high	17 Å²	17	47.1 Å²	47.1	7%	0.067	27%	0.267	C	S	.	.			trans	-140.2	153.6	176.3	56.9	-90.1	0	0	0	109.3	I41 M49 S98 A101 R103 Y153	I41-Y51 HydrophobicContact CD1-CD2 3.79Å; I41-Y51 HydrophobicContact CD1-CE2 3.62Å; I41-Y51 WeakPolarHBondContact CD1-O 3.32Å; M49-Y51 HydrophobicContact CB-CD1 4.36Å; M49-Y51 HydrophobicContact CB-CE1 4.07Å; M49-Y51 HydrophobicContact CB-CE2 4.45Å; M49-Y51 HydrophobicContact CE-CE1 3.65Å; M49-Y51 WeakPolarHBondContact CE-OH 3.5Å; M49-Y51 PolarHBondContact O-N 2.03Å; Y51-S98 WeakPolarHBondContact OH-CA 3.39Å; Y51-A101 WeakPolarHBondContact CE2-O 3.33Å; Y51-A101 PolarHBondContact OH-O 3.35Å; Y51-R103 HydrophobicContact CD1-CB 4.08Å; Y51-R103 HydrophobicContact CD1-CG 4.47Å; Y51-R103 HydrophobicContact CD2-CB 3.79Å; Y51-R103 HydrophobicContact CD2-CG 4.14Å; Y51-R103 HydrophobicContact CE1-CB 4.2Å; Y51-R103 HydrophobicContact CE2-CB 3.91Å; Y51-R103 HydrophobicContact CG-CB 3.88Å; Y51-R103 HydrophobicContact CG-CG 4Å; Y51-Y153 HydrophobicContact CD1-CE2 4.13Å; Y51-Y153 HydrophobicContact CE1-CD2 4.44Å; Y51-Y153 AromaticContact CE1-CE2 3.52Å; Y51-Y153 HydrophobicContact CE1-CE2 3.52Å; Y51-Y153 AromaticContact CE1-CZ 3.94Å; Y51-Y153 PolarHBondContact OH-OH 3.27Å; Y51-Y153 VanDerWaalsContact OH-OH 3.1Å
52	T	91.5	Very high	90.6	Very high	101 Å²	101	47.8 Å²	47.8	62%	0.62	27%	0.27	S	S	*	.			trans	-109.1	-7.3	-171	55.2	0	0	0	0	114.3	D40 I41	D40-T52 CarbonylContact C-O 3.57Å; D40-T52 WeakPolarHBondContact CA-O 3.03Å; I41-T52 PolarHBondContact N-O 3.45Å
53	R	93.2	Very high	90.8	Very high	115 Å²	115	46.8 Å²	46.8	43%	0.434	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128	-172.5	-58.9	-69.3	-122.7	-177.7	0.9	111.6	C38 T39 D40 C104	C38-R53 HydrophobicContact CB-CB 4.34Å; T39-R53 CarbonylContact O-C 3.39Å; T39-R53 VanDerWaalsContact O-CA 3.31Å; T39-R53 WeakPolarHBondContact O-CA 3.36Å; D40-R53 WeakPolarHBondContact OD1-CD 3.04Å; D40-R53 IonicContact OD1-CZ 3.03Å; D40-R53 IonicContact OD1-NE 3.56Å; D40-R53 IonicContact OD1-NH1 2.76Å; D40-R53 PolarHBondContact OD1-NH1 3.41Å; D40-R53 IonicContact OD2-NH1 3.58Å; R53-C104 PolarHBondContact O-N 2.91Å; R53-C104 VanDerWaalsContact O-N 3.14Å
54	T	94.3	Very high	90.8	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	174.5	175.7	-174.8	0	0	0	0	111.1	C38 T39 I41 F56 A101 P102	C38-T54 CarbonylContact C-O 3.58Å; C38-T54 WeakPolarHBondContact CA-O 3.3Å; T39-T54 PolarHBondContact N-O 3.49Å; T39-T54 PolarHBondContact O-N 3.28Å; T39-T54 VanDerWaalsContact O-O 3.09Å; I41-T54 HydrophobicContact CB-CG2 4.43Å; I41-T54 HydrophobicContact CG1-CG2 3.81Å; T54-F56 HydrophobicContact CG2-CE2 4.49Å; T54-A101 WeakPolarHBondContact OG1-CA 3.34Å; T54-P102 WeakPolarHBondContact CA-O 3.02Å; T54-P102 PolarHBondContact OG1-O 2.77Å
55	M	92.4	Very high	91	Very high	7 Å²	7	50.1 Å²	50.1	3%	0.034	28%	0.277	C	S	.	.			trans	-148.5	147.5	176.8	-178.8	167.8	62.8	0	0	111.3	P36 C104 V109	P36-M55 HydrophobicContact CB-CG 4Å; P36-M55 HydrophobicContact CB-SD 3.81Å; P36-M55 HydrophobicContact CG-SD 4.4Å; M55-C104 HydrophobicContact CB-CB 3.82Å; M55-C104 VanDerWaalsContact CB-SG 3.5Å; M55-C104 VanDerWaalsContact CE-SG 3.58Å; M55-V109 HydrophobicContact CB-CG2 4.37Å; M55-V109 HydrophobicContact CE-CB 4.3Å; M55-V109 HydrophobicContact CE-CG2 3.33Å; M55-V109 VanDerWaalsContact CE-N 3.35Å
56	F	90.8	Very high	90.9	Very high	30 Å²	30	57 Å²	57	13%	0.132	30%	0.303	C	S	.	.	S	Bend	trans	-110.2	143.2	170.9	-62.1	-82.9	0	0	0	110.5	P36 T54 N58 H62 S63 R65 A68	P36-F56 VanDerWaalsContact CB-O 3.3Å; P36-F56 WeakPolarHBondContact CB-O 3.43Å; T54-F56 HydrophobicContact CG2-CE2 4.49Å; F56-N58 HydrophobicContact CD1-CB 4.08Å; F56-N58 HydrophobicContact CE1-CB 4.2Å; F56-H62 WeakPolarHBondContact CD1-O 3.35Å; F56-S63 VanDerWaalsContact CB-O 3.31Å; F56-S63 WeakPolarHBondContact CB-O 3.29Å; F56-R65 HydrophobicContact CE2-CB 3.79Å; F56-R65 VanDerWaalsContact CZ-CA 3.47Å; F56-R65 HydrophobicContact CZ-CB 4.01Å; F56-A68 HydrophobicContact CE1-CB 3.81Å; F56-A68 HydrophobicContact CZ-CB 4.34Å
57	P	92.3	Very high	90.8	Very high	73 Å²	73	60.3 Å²	60.3	47%	0.474	32%	0.32	S	S	.	.	S	Bend	cis	-67.9	138	1.5	27.8	-33.9	0	0	0	113	H62	P57-H62 WeakPolarHBondContact CA-O 3.46Å
58	N	92.7	Very high	90.9	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.043	29%	0.293	C	S	.	.			trans	-75.5	-177.9	179.2	70.4	5.7	0	0	0	110.9	F56 V60 G61 H62 L100 P102	F56-N58 HydrophobicContact CD1-CB 4.08Å; F56-N58 HydrophobicContact CE1-CB 4.2Å; N58-V60 PolarHBondContact O-N 3.26Å; N58-V60 PolarHBondContact OD1-N 3.46Å; N58-G61 PolarHBondContact O-N 2.9Å; N58-G61 PolarHBondContact OD1-N 3.25Å; N58-H62 PolarHBondContact N-O 3.49Å; N58-H62 PolarHBondContact ND2-ND1 3.11Å; N58-H62 PolarHBondContact OD1-N 3.38Å; N58-L100 WeakPolarHBondContact CB-O 3.49Å; N58-L100 PolarHBondContact ND2-O 3.27Å; N58-P102 HydrophobicContact CB-CG 4.33Å
59	I	92.6	Very high	91	Very high	25 Å²	25	54.2 Å²	54.2	13%	0.128	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.7	-177.1	-69.4	170.9	0	0	0	112.4	V99 P102 V109 R111 F144	I59-V99 HydrophobicContact CB-CG1 4.13Å; I59-V99 HydrophobicContact CG2-CG1 3.94Å; I59-P102 HydrophobicContact CD1-CB 3.52Å; I59-P102 HydrophobicContact CD1-CG 4.15Å; I59-P102 HydrophobicContact CG1-CB 3.9Å; I59-P102 HydrophobicContact CG1-CG 3.95Å; I59-V109 HydrophobicContact CD1-CG1 4.3Å; I59-V109 HydrophobicContact CG1-CG1 3.9Å; I59-R111 HydrophobicContact CD1-CB 4.47Å; I59-R111 HydrophobicContact CD1-CG 3.99Å; I59-R111 HydrophobicContact CG1-CG 4.44Å; I59-F144 HydrophobicContact CG2-CB 3.93Å; I59-F144 HydrophobicContact CG2-CD1 3.37Å; I59-F144 HydrophobicContact CG2-CE1 4.23Å; I59-F144 HydrophobicContact CG2-CG 4.06Å
60	V	91.4	Very high	90.7	Very high	30 Å²	30	58.9 Å²	58.9	18%	0.182	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.9	177.3	-170.3	0	0	0	0	112.2	N58 E73 V99 L100 F138	N58-V60 PolarHBondContact O-N 3.26Å; N58-V60 PolarHBondContact OD1-N 3.46Å; V60-E73 HydrophobicContact CG1-CG 4.42Å; V60-V99 HydrophobicContact CG2-CG1 3.62Å; V60-L100 HydrophobicContact CG2-CD2 3.94Å; V60-F138 HydrophobicContact CG2-CB 4.25Å
61	G	90.1	Very high	90.7	Very high	43 Å²	43	55.8 Å²	55.8	44%	0.443	30%	0.296	S	S	.	.			trans	102.9	10.2	177.5	0	0	0	0	0	115	N58 S63	N58-G61 PolarHBondContact O-N 2.9Å; N58-G61 PolarHBondContact OD1-N 3.25Å; G61-S63 PolarHBondContact O-N 2.99Å
62	H	92.9	Very high	90.4	Very high	28 Å²	28	56.7 Å²	56.7	13%	0.13	30%	0.303	C	S	.	.			trans	-64.5	125.1	173.8	-57.8	150.8	0	0	0	109.7	F56 P57 N58 D67 A68 A71 E73	F56-H62 WeakPolarHBondContact CD1-O 3.35Å; P57-H62 WeakPolarHBondContact CA-O 3.46Å; N58-H62 PolarHBondContact N-O 3.49Å; N58-H62 PolarHBondContact ND2-ND1 3.11Å; N58-H62 PolarHBondContact OD1-N 3.38Å; H62-D67 HydrophobicContact CB-CB 4.24Å; H62-A68 HydrophobicContact CB-CB 3.97Å; H62-A68 WeakPolarHBondContact ND1-CA 3.31Å; H62-A71 WeakPolarHBondContact CE1-CB 3.44Å; H62-A71 WeakPolarHBondContact NE2-CB 3.3Å; H62-E73 IonicContact CE1-OE2 2.65Å; H62-E73 PolarHBondContact CE1-OE2 2.75Å; H62-E73 IonicContact NE2-OE2 2.7Å
63	S	90.3	Very high	90.4	Very high	81 Å²	81	52.8 Å²	52.8	57%	0.566	28%	0.278	S	S	*	.			trans	-79.8	-24.3	-171.4	-66	0	0	0	0	113.3	F56 G61	F56-S63 VanDerWaalsContact CB-O 3.31Å; F56-S63 WeakPolarHBondContact CB-O 3.29Å; G61-S63 PolarHBondContact O-N 2.99Å
64	T	90.9	Very high	90.2	Very high	63 Å²	63	48.2 Å²	48.2	39%	0.387	26%	0.26	S	S	.	.	S	Bend	trans	-138.7	164.4	179	71.5	0	0	0	0	111.5	R66 D67 A68	T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.1Å; T64-R66 PolarHBondContact OG1-N 2.75Å; T64-D67 PolarHBondContact N-OD2 3.44Å; T64-D67 PolarHBondContact O-N 3.33Å; T64-D67 PolarHBondContact OG1-N 3.23Å; T64-D67 PolarHBondContact OG1-OD1 2.75Å; T64-D67 PolarHBondContact OG1-OD2 3.49Å; T64-A68 PolarHBondContact O-N 3.38Å; T64-A68 VanDerWaalsContact O-N 3.16Å
65	R	90.3	Very high	89.9	Confident	102 Å²	102	50 Å²	50	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-52.8	-46.1	170.6	174.7	-172.4	163.8	-174.9	-3.2	112	L42 L43 F56 D67 A68 E69	L42-R65 VanDerWaalsContact CB-CZ 3.41Å; L42-R65 PolarHBondContact O-NE 3.13Å; L42-R65 PolarHBondContact O-NH2 3.41Å; L43-R65 HydrophobicContact CD2-CG 4.17Å; F56-R65 HydrophobicContact CE2-CB 3.79Å; F56-R65 VanDerWaalsContact CZ-CA 3.47Å; F56-R65 HydrophobicContact CZ-CB 4.01Å; R65-D67 VanDerWaalsContact C-N 3.3Å; R65-D67 PolarHBondContact O-N 3.18Å; R65-A68 WeakPolarHBondContact O-CB 3.49Å; R65-A68 PolarHBondContact O-N 2.96Å; R65-A68 VanDerWaalsContact O-N 3.15Å; R65-E69 HydrophobicContact CG-CG 4.37Å; R65-E69 IonicContact CZ-OE1 3.5Å; R65-E69 IonicContact NE-OE1 3.64Å; R65-E69 PolarHBondContact NE-OE1 3.31Å; R65-E69 IonicContact NE-OE2 2.82Å; R65-E69 IonicContact NH2-OE1 2.98Å; R65-E69 PolarHBondContact NH2-OE1 3.1Å; R65-E69 PolarHBondContact O-N 2.81Å
66	R	87.4	Confident	89.7	Confident	189 Å²	189	49.7 Å²	49.7	71%	0.713	27%	0.268	S	S	*	.	H	α-helix	trans	-63.2	-40.5	-177.2	-172.5	177.3	-177.5	126	1.4	111	T64 A68 E69 T70	T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.1Å; T64-R66 PolarHBondContact OG1-N 2.75Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 2.93Å; R66-E69 PolarHBondContact O-N 3.12Å; R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 VanDerWaalsContact O-N 3.16Å; R66-T70 PolarHBondContact O-OG1 3.03Å; R66-T70 VanDerWaalsContact O-OG1 3.06Å
67	D	89.1	Confident	89.6	Confident	69 Å²	69	48.3 Å²	48.3	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-44.3	175.9	-55.9	-31.1	0	0	0	110.2	H62 T64 R65 T70 A71	H62-D67 HydrophobicContact CB-CB 4.24Å; T64-D67 PolarHBondContact N-OD2 3.44Å; T64-D67 PolarHBondContact O-N 3.33Å; T64-D67 PolarHBondContact OG1-N 3.23Å; T64-D67 PolarHBondContact OG1-OD1 2.75Å; T64-D67 PolarHBondContact OG1-OD2 3.49Å; R65-D67 VanDerWaalsContact C-N 3.3Å; R65-D67 PolarHBondContact O-N 3.18Å; D67-T70 PolarHBondContact O-N 3.19Å; D67-T70 PolarHBondContact O-OG1 3.04Å; D67-A71 WeakPolarHBondContact O-CB 3.38Å; D67-A71 PolarHBondContact O-N 3.24Å; D67-A71 VanDerWaalsContact O-N 3.15Å
68	A	90.4	Very high	89.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-42.8	177.4	0	0	0	0	0	113.3	F56 H62 T64 R65 R66 T70 A71 Y74	F56-A68 HydrophobicContact CE1-CB 3.81Å; F56-A68 HydrophobicContact CZ-CB 4.34Å; H62-A68 HydrophobicContact CB-CB 3.97Å; H62-A68 WeakPolarHBondContact ND1-CA 3.31Å; T64-A68 PolarHBondContact O-N 3.38Å; T64-A68 VanDerWaalsContact O-N 3.16Å; R65-A68 WeakPolarHBondContact O-CB 3.49Å; R65-A68 PolarHBondContact O-N 2.96Å; R65-A68 VanDerWaalsContact O-N 3.15Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 2.93Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 3.48Å; A68-A71 WeakPolarHBondContact O-CB 3.39Å; A68-A71 PolarHBondContact O-N 2.76Å; A68-A71 VanDerWaalsContact O-N 3.13Å; A68-Y74 WeakPolarHBondContact O-CB 3.08Å
69	E	89.4	Confident	88.9	Confident	65 Å²	65	46.6 Å²	46.6	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-33.5	178.7	-74	176	162.9	0	0	113	L43 R65 R66 Y74	L43-E69 HydrophobicContact CD2-CB 4.45Å; L43-E69 HydrophobicContact CD2-CG 3.23Å; R65-E69 HydrophobicContact CG-CG 4.37Å; R65-E69 IonicContact CZ-OE1 3.5Å; R65-E69 IonicContact NE-OE1 3.64Å; R65-E69 PolarHBondContact NE-OE1 3.31Å; R65-E69 IonicContact NE-OE2 2.82Å; R65-E69 IonicContact NH2-OE1 2.98Å; R65-E69 PolarHBondContact NH2-OE1 3.1Å; R65-E69 PolarHBondContact O-N 2.81Å; R66-E69 PolarHBondContact O-N 3.12Å; E69-Y74 HydrophobicContact CB-CD1 4.49Å; E69-Y74 HydrophobicContact CG-CE1 4.37Å; E69-Y74 WeakPolarHBondContact O-CD1 3.45Å
70	T	83.9	Confident	88.5	Confident	109 Å²	109	45.6 Å²	45.6	67%	0.669	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.6	178.1	57.9	0	0	0	0	113.6	R66 D67 A68	R66-T70 PolarHBondContact O-N 3.33Å; R66-T70 VanDerWaalsContact O-N 3.16Å; R66-T70 PolarHBondContact O-OG1 3.03Å; R66-T70 VanDerWaalsContact O-OG1 3.06Å; D67-T70 PolarHBondContact O-N 3.19Å; D67-T70 PolarHBondContact O-OG1 3.04Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 3.48Å
71	A	87.7	Confident	88	Confident	14 Å²	14	48.5 Å²	48.5	12%	0.116	26%	0.259	C	S	.	.	S	Bend	trans	-78.9	148.7	-176.4	0	0	0	0	0	111.3	H62 D67 A68 E73 Y74 L75	H62-A71 WeakPolarHBondContact CE1-CB 3.44Å; H62-A71 WeakPolarHBondContact NE2-CB 3.3Å; D67-A71 WeakPolarHBondContact O-CB 3.38Å; D67-A71 PolarHBondContact O-N 3.24Å; D67-A71 VanDerWaalsContact O-N 3.15Å; A68-A71 WeakPolarHBondContact O-CB 3.39Å; A68-A71 PolarHBondContact O-N 2.76Å; A68-A71 VanDerWaalsContact O-N 3.13Å; A71-E73 WeakPolarHBondContact CB-OE2 3.47Å; A71-E73 PolarHBondContact O-N 3.47Å; A71-Y74 PolarHBondContact O-N 3.15Å; A71-L75 PolarHBondContact O-N 2.99Å; A71-L75 VanDerWaalsContact O-N 3.1Å
72	V	85.4	Confident	87.4	Confident	37 Å²	37	53.8 Å²	53.8	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-31.1	-179.2	176.1	0	0	0	0	111.2	L75 L76 F644 P652 W654	V72-L75 PolarHBondContact O-N 3.1Å; V72-L76 VanDerWaalsContact O-CB 3.28Å; V72-L76 WeakPolarHBondContact O-CB 3.32Å; V72-L76 PolarHBondContact O-N 3.39Å; V72-F644 HydrophobicContact CG1-CD1 4.44Å; V72-P652 HydrophobicContact CG1-CB 3.73Å; V72-P652 HydrophobicContact CG1-CG 3.68Å; V72-W654 HydrophobicContact CG1-CZ2 3.96Å
73	E	90.1	Very high	86.9	Confident	18 Å²	18	53 Å²	53	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-43.2	179.8	-57.5	74.3	-163	0	0	111.3	V60 H62 A71 I77 L100 Y137 F138	V60-E73 HydrophobicContact CG1-CG 4.42Å; H62-E73 IonicContact CE1-OE2 2.65Å; H62-E73 PolarHBondContact CE1-OE2 2.75Å; H62-E73 IonicContact NE2-OE2 2.7Å; A71-E73 WeakPolarHBondContact CB-OE2 3.47Å; A71-E73 PolarHBondContact O-N 3.47Å; E73-I77 WeakPolarHBondContact O-CG1 3.4Å; E73-I77 PolarHBondContact O-N 2.94Å; E73-L100 HydrophobicContact CB-CD1 4.26Å; E73-L100 HydrophobicContact CB-CD2 3.61Å; E73-L100 HydrophobicContact CB-CG 4.48Å; E73-L100 HydrophobicContact CG-CD2 4.48Å; E73-Y137 VanDerWaalsContact CD-OH 3.31Å; E73-Y137 HydrophobicContact CG-CE1 4Å; E73-Y137 WeakPolarHBondContact OE1-CE1 3.15Å; E73-Y137 VanDerWaalsContact OE1-CZ 3.29Å; E73-Y137 PolarHBondContact OE1-OH 3.34Å; E73-F138 HydrophobicContact CB-CD1 3.73Å; E73-F138 HydrophobicContact CB-CD2 4.42Å; E73-F138 HydrophobicContact CB-CE1 3.76Å; E73-F138 HydrophobicContact CB-CE2 4.46Å; E73-F138 HydrophobicContact CB-CG 4.07Å; E73-F138 HydrophobicContact CB-CZ 4.15Å; E73-F138 HydrophobicContact CG-CB 4.19Å; E73-F138 HydrophobicContact CG-CD1 3.4Å; E73-F138 HydrophobicContact CG-CE1 3.88Å; E73-F138 HydrophobicContact CG-CG 3.84Å
74	Y	90.6	Very high	86.6	Confident	19 Å²	19	49.8 Å²	49.8	8%	0.075	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-41.1	177.1	-174.1	-105.4	0	0	0	111.3	L43 S44 Y45 A68 E69 A71 I77 S78 L100	L43-Y74 HydrophobicContact CB-CE2 3.72Å; L43-Y74 HydrophobicContact CD1-CD2 4.29Å; L43-Y74 HydrophobicContact CD1-CE2 4.12Å; L43-Y74 HydrophobicContact CD2-CD2 4.33Å; L43-Y74 HydrophobicContact CD2-CE2 3.92Å; L43-Y74 HydrophobicContact CG-CE2 4.13Å; S44-Y74 PolarHBondContact N-OH 2.87Å; S44-Y74 PolarHBondContact OG-OH 2.84Å; Y45-Y74 PolarHBondContact N-OH 3.28Å; Y45-Y74 VanDerWaalsContact N-OH 3.12Å; A68-Y74 WeakPolarHBondContact O-CB 3.08Å; E69-Y74 HydrophobicContact CB-CD1 4.49Å; E69-Y74 HydrophobicContact CG-CE1 4.37Å; E69-Y74 WeakPolarHBondContact O-CD1 3.45Å; A71-Y74 PolarHBondContact O-N 3.15Å; Y74-I77 PolarHBondContact O-N 2.7Å; Y74-S78 WeakPolarHBondContact O-CB 3.47Å; Y74-S78 PolarHBondContact O-N 3.37Å; Y74-S78 PolarHBondContact O-OG 3.1Å; Y74-L100 HydrophobicContact CD2-CD1 4.24Å
75	L	86.5	Confident	85.8	Confident	40 Å²	40	50 Å²	50	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-49.7	173.6	-179.5	72.8	0	0	0	111.3	A71 V72 I77 S78 V79 Y643 F644 L647	A71-L75 PolarHBondContact O-N 2.99Å; A71-L75 VanDerWaalsContact O-N 3.1Å; V72-L75 PolarHBondContact O-N 3.1Å; L75-I77 VanDerWaalsContact C-N 3.34Å; L75-I77 PolarHBondContact O-N 3.34Å; L75-S78 PolarHBondContact O-N 2.66Å; L75-S78 VanDerWaalsContact O-N 3.15Å; L75-S78 PolarHBondContact O-OG 3.14Å; L75-V79 WeakPolarHBondContact O-CG2 3.08Å; L75-V79 PolarHBondContact O-N 2.03Å; L75-Y643 HydrophobicContact CD1-CE1 4.02Å; L75-Y643 HydrophobicContact CD2-CE1 4.48Å; L75-Y643 HydrophobicContact CG-CE1 4.22Å; L75-F644 HydrophobicContact CD2-CD1 3.66Å; L75-F644 HydrophobicContact CD2-CE1 3.82Å; L75-F644 HydrophobicContact CG-CD1 4.46Å; L75-F644 HydrophobicContact CG-CE1 4.13Å; L75-L647 HydrophobicContact CD1-CD1 3.7Å; L75-L647 HydrophobicContact CD2-CD1 3.27Å; L75-L647 HydrophobicContact CG-CD1 4.07Å
76	L	88.6	Confident	85.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-47.5	178.9	177.4	65.8	0	0	0	111	V72 S78 V79 V80 L83 M133 P136 F138 F644 W654 L655	V72-L76 VanDerWaalsContact O-CB 3.28Å; V72-L76 WeakPolarHBondContact O-CB 3.32Å; V72-L76 PolarHBondContact O-N 3.39Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.1Å; L76-V79 WeakPolarHBondContact O-CG2 3.47Å; L76-V79 PolarHBondContact O-N 2.85Å; L76-V80 WeakPolarHBondContact O-CB 3.42Å; L76-V80 PolarHBondContact O-N 3.4Å; L76-L83 HydrophobicContact CD1-CD1 4.23Å; L76-M133 HydrophobicContact CD1-CE 4.03Å; L76-M133 HydrophobicContact CD1-SD 3.93Å; L76-P136 HydrophobicContact CD2-CB 3.83Å; L76-P136 HydrophobicContact CD2-CG 3.77Å; L76-F138 HydrophobicContact CD2-CE1 3.69Å; L76-F138 HydrophobicContact CD2-CZ 3.94Å; L76-F644 HydrophobicContact CB-CE1 4.24Å; L76-F644 HydrophobicContact CB-CZ 4.29Å; L76-F644 HydrophobicContact CD1-CE1 4.31Å; L76-F644 HydrophobicContact CD1-CE2 4.3Å; L76-F644 HydrophobicContact CD1-CZ 3.54Å; L76-W654 HydrophobicContact CD2-CH2 4.05Å; L76-L655 HydrophobicContact CD1-CD1 4.44Å; L76-L655 HydrophobicContact CD1-CD2 4.29Å; L76-L655 HydrophobicContact CD2-CD2 3.82Å
77	I	89.4	Confident	84.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-41.7	177.9	-68.6	-56.6	0	0	0	110.8	Y45 E73 Y74 L75 V79 V80 R93 L100 F138	Y45-I77 HydrophobicContact CD1-CG2 3.69Å; Y45-I77 VanDerWaalsContact CE1-C 3.46Å; Y45-I77 HydrophobicContact CE1-CG2 3.68Å; Y45-I77 WeakPolarHBondContact CE1-O 3.36Å; Y45-I77 PolarHBondContact OH-O 2.92Å; E73-I77 WeakPolarHBondContact O-CG1 3.4Å; E73-I77 PolarHBondContact O-N 2.94Å; Y74-I77 PolarHBondContact O-N 2.7Å; L75-I77 VanDerWaalsContact C-N 3.34Å; L75-I77 PolarHBondContact O-N 3.34Å; I77-V79 PolarHBondContact O-N 3.26Å; I77-V79 VanDerWaalsContact O-N 3.1Å; I77-V80 WeakPolarHBondContact O-CG1 3.18Å; I77-V80 PolarHBondContact O-N 3.16Å; I77-R93 HydrophobicContact CG2-CG 4.26Å; I77-L100 HydrophobicContact CB-CD1 4.42Å; I77-L100 HydrophobicContact CG1-CD1 4.06Å; I77-F138 HydrophobicContact CD1-CE2 3.67Å; I77-F138 HydrophobicContact CD1-CZ 3.69Å; I77-F138 HydrophobicContact CG1-CE2 3.58Å; I77-F138 HydrophobicContact CG1-CZ 3.59Å
78	S	85.3	Confident	84.6	Confident	39 Å²	39	41.1 Å²	41.1	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-19.4	179.3	73.6	0	0	0	0	114.9	Y74 L75 L76	Y74-S78 WeakPolarHBondContact O-CB 3.47Å; Y74-S78 PolarHBondContact O-N 3.37Å; Y74-S78 PolarHBondContact O-OG 3.1Å; L75-S78 PolarHBondContact O-N 2.66Å; L75-S78 VanDerWaalsContact O-N 3.15Å; L75-S78 PolarHBondContact O-OG 3.14Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-S78 PolarHBondContact O-N 3.1Å
79	V	83.8	Confident	84.5	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-115.2	-6.1	179.7	-59.6	0	0	0	0	114.6	L75 L76 I77 E81 Q82 L83 Y643 F644	L75-V79 WeakPolarHBondContact O-CG2 3.08Å; L75-V79 PolarHBondContact O-N 2.03Å; L76-V79 WeakPolarHBondContact O-CG2 3.47Å; L76-V79 PolarHBondContact O-N 2.85Å; I77-V79 PolarHBondContact O-N 3.26Å; I77-V79 VanDerWaalsContact O-N 3.1Å; V79-E81 PolarHBondContact O-N 3.11Å; V79-E81 VanDerWaalsContact O-N 3.13Å; V79-Q82 PolarHBondContact O-N 2.9Å; V79-L83 HydrophobicContact CB-CG 4.43Å; V79-L83 HydrophobicContact CG2-CD1 3.76Å; V79-L83 HydrophobicContact CG2-CG 4.06Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.36Å; V79-Y643 HydrophobicContact CB-CE1 4.23Å; V79-Y643 HydrophobicContact CG1-CD1 4.45Å; V79-Y643 HydrophobicContact CG1-CE1 3.49Å; V79-Y643 VanDerWaalsContact CG1-CE1 3.49Å; V79-Y643 HydrophobicContact CG1-CE2 4.3Å; V79-Y643 VanDerWaalsContact CG1-CZ 3.42Å; V79-Y643 WeakPolarHBondContact CG1-OH 3.49Å; V79-Y643 HydrophobicContact CG2-CD1 4.31Å; V79-Y643 HydrophobicContact CG2-CE1 4Å; V79-F644 HydrophobicContact CG2-CZ 4.13Å
80	V	84.1	Confident	84.4	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-33.2	-172.1	77.6	0	0	0	0	112.1	L76 I77 L83 L84 I92 F128	L76-V80 WeakPolarHBondContact O-CB 3.42Å; L76-V80 PolarHBondContact O-N 3.4Å; I77-V80 WeakPolarHBondContact O-CG1 3.18Å; I77-V80 PolarHBondContact O-N 3.16Å; V80-L83 PolarHBondContact O-N 2.86Å; V80-L84 HydrophobicContact CG2-CD1 3.83Å; V80-L84 HydrophobicContact CG2-CG 4.13Å; V80-L84 WeakPolarHBondContact O-CB 3.21Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.33Å; V80-L84 PolarHBondContact O-N 3.42Å; V80-I92 HydrophobicContact CG1-CG2 4.41Å; V80-I92 HydrophobicContact CG2-CG2 4.18Å; V80-F128 HydrophobicContact CG2-CE1 4.12Å; V80-F128 HydrophobicContact CG2-CZ 3.77Å
81	E	82.3	Confident	84.8	Confident	90 Å²	90	38.1 Å²	38.1	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-58.4	-50.1	174.6	-173	171.6	170	0	0	112.6	Y45 V79 L83 G85 G86 N89	Y45-E81 PolarHBondContact OH-OE2 2.83Å; V79-E81 PolarHBondContact O-N 3.11Å; V79-E81 VanDerWaalsContact O-N 3.13Å; E81-L83 VanDerWaalsContact C-N 3.35Å; E81-G85 PolarHBondContact O-N 2.04Å; E81-G86 PolarHBondContact O-N 3.22Å; E81-N89 WeakPolarHBondContact CB-ND2 3.35Å; E81-N89 HydrophobicContact CG-CB 4.13Å; E81-N89 WeakPolarHBondContact CG-ND2 3.14Å; E81-N89 PolarHBondContact OE2-ND2 3.21Å
82	Q	77.6	Confident	85	Confident	155 Å²	155	37.5 Å²	37.5	72%	0.724	22%	0.219	S	C	*	.	H	α-helix	trans	-69.4	-36.7	179.3	-168.8	176.2	2.1	0	0	110.9	V79 G85	V79-Q82 PolarHBondContact O-N 2.9Å; Q82-G85 PolarHBondContact O-N 3.37Å
83	L	82.3	Confident	85.4	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-37.3	177.9	-67.5	-173.4	0	0	0	113.4	L76 V79 V80 E81 I131 M133 W639 W640 F644	L76-L83 HydrophobicContact CD1-CD1 4.23Å; V79-L83 HydrophobicContact CB-CG 4.43Å; V79-L83 HydrophobicContact CG2-CD1 3.76Å; V79-L83 HydrophobicContact CG2-CG 4.06Å; V79-L83 WeakPolarHBondContact O-CG 3.35Å; V79-L83 PolarHBondContact O-N 3.36Å; V80-L83 PolarHBondContact O-N 2.86Å; E81-L83 VanDerWaalsContact C-N 3.35Å; L83-I131 HydrophobicContact CB-CD1 4.36Å; L83-M133 HydrophobicContact CD1-CE 3.74Å; L83-W639 HydrophobicContact CD2-CH2 3.46Å; L83-W639 VanDerWaalsContact CD2-CH2 3.46Å; L83-W639 HydrophobicContact CD2-CZ2 4.19Å; L83-W639 HydrophobicContact CD2-CZ3 3.72Å; L83-W639 WeakPolarHBondContact O-CZ2 3.05Å; L83-W640 HydrophobicContact CD1-CB 4.32Å; L83-W640 HydrophobicContact CD2-CB 3.56Å; L83-F644 HydrophobicContact CD1-CE2 4.24Å; L83-F644 HydrophobicContact CD1-CZ 4.32Å
84	L	84.1	Confident	85.5	Confident	13 Å²	13	37 Å²	37	7%	0.068	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.8	-179.8	-59.5	-178.5	0	0	0	113.2	V80 G86 Q87 C88 A127 F128 I131	V80-L84 HydrophobicContact CG2-CD1 3.83Å; V80-L84 HydrophobicContact CG2-CG 4.13Å; V80-L84 WeakPolarHBondContact O-CB 3.21Å; V80-L84 VanDerWaalsContact O-CG 3.32Å; V80-L84 WeakPolarHBondContact O-CG 3.33Å; V80-L84 PolarHBondContact O-N 3.42Å; L84-G86 VanDerWaalsContact C-N 3.27Å; L84-G86 PolarHBondContact O-N 3.13Å; L84-Q87 WeakPolarHBondContact CB-O 3.31Å; L84-Q87 WeakPolarHBondContact O-CB 3.18Å; L84-Q87 PolarHBondContact O-N 3.4Å; L84-Q87 VanDerWaalsContact O-N 3.13Å; L84-C88 HydrophobicContact CD1-CB 4.46Å; L84-A127 HydrophobicContact CD1-CB 4.42Å; L84-A127 HydrophobicContact CD2-CB 4.12Å; L84-F128 HydrophobicContact CD1-CD2 4.28Å; L84-F128 HydrophobicContact CD1-CE2 3.72Å; L84-F128 HydrophobicContact CD1-CZ 3.86Å; L84-F128 HydrophobicContact CD2-CD1 4.42Å; L84-F128 HydrophobicContact CD2-CD2 4.43Å; L84-F128 HydrophobicContact CD2-CG 4.37Å; L84-I131 HydrophobicContact CD2-CD1 3.77Å; L84-I131 HydrophobicContact CD2-CG1 4.26Å
85	G	74.4	Confident	85.7	Confident	67 Å²	67	36 Å²	36	69%	0.691	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	37	-178	0	0	0	0	0	113	E81 Q82 Q87	E81-G85 PolarHBondContact O-N 2.04Å; Q82-G85 PolarHBondContact O-N 3.37Å; G85-Q87 PolarHBondContact O-N 2.96Å
86	G	77.4	Confident	86	Confident	39 Å²	39	34.1 Å²	34.1	40%	0.402	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-11	-176.6	0	0	0	0	0	115.2	E81 L84 C88 N89	E81-G86 PolarHBondContact O-N 3.22Å; L84-G86 VanDerWaalsContact C-N 3.27Å; L84-G86 PolarHBondContact O-N 3.13Å; G86-C88 PolarHBondContact O-N 3.39Å; G86-N89 PolarHBondContact O-N 2.03Å
87	Q	77.4	Confident	86.3	Confident	109 Å²	109	34.1 Å²	34.1	51%	0.509	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	136.5	175.6	-60.9	-175.1	8.5	0	0	110.1	L84 G85 N89 A127	L84-Q87 WeakPolarHBondContact CB-O 3.31Å; L84-Q87 WeakPolarHBondContact O-CB 3.18Å; L84-Q87 PolarHBondContact O-N 3.4Å; L84-Q87 VanDerWaalsContact O-N 3.13Å; G85-Q87 PolarHBondContact O-N 2.96Å; Q87-N89 PolarHBondContact O-N 3.15Å; Q87-A127 HydrophobicContact CB-CB 4.43Å
88	C	86.8	Confident	86.6	Confident	26 Å²	26	34.1 Å²	34.1	18%	0.176	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	13.1	177.7	-74	0	0	0	0	116.8	L84 G86 E91 I92 C124	L84-C88 HydrophobicContact CD1-CB 4.46Å; G86-C88 PolarHBondContact O-N 3.39Å; C88-E91 PolarHBondContact O-N 3.45Å; C88-I92 HydrophobicContact CB-CG1 3.85Å; C88-I92 WeakPolarHBondContact O-CG1 3.25Å; C88-I92 PolarHBondContact O-N 2.98Å; C88-C124 HydrophobicContact CB-CB 3.67Å; C88-C124 WeakPolarHBondContact CB-SG 3.33Å; C88-C124 WeakPolarHBondContact SG-CA 3.32Å; C88-C124 WeakPolarHBondContact SG-CB 3.47Å; C88-C124 CovalentContact SG-SG 2.03Å; C88-C124 PolarHBondContact SG-SG 2.9Å
89	N	86.6	Confident	87.1	Confident	44 Å²	44	32.2 Å²	32.2	24%	0.235	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	141.4	161	-168.4	-52.9	0	0	0	108.9	E81 G86 Q87	E81-N89 WeakPolarHBondContact CB-ND2 3.35Å; E81-N89 HydrophobicContact CG-CB 4.13Å; E81-N89 WeakPolarHBondContact CG-ND2 3.14Å; E81-N89 PolarHBondContact OE2-ND2 3.21Å; G86-N89 PolarHBondContact O-N 2.03Å; Q87-N89 PolarHBondContact O-N 3.15Å
90	P	88.7	Confident	87.6	Confident	38 Å²	38	31.9 Å²	31.9	25%	0.247	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	1.3	2.2	35.1	-36.6	0	0	0	115.5	I92 R93 M94 L159	P90-I92 PolarHBondContact O-N 2.98Å; P90-R93 PolarHBondContact O-N 3.49Å; P90-M94 HydrophobicContact CB-CE 3.77Å; P90-M94 HydrophobicContact CG-CE 3.78Å; P90-M94 WeakPolarHBondContact O-CG 3.2Å; P90-M94 PolarHBondContact O-N 3.43Å; P90-L159 HydrophobicContact CG-CD1 3.92Å; P90-L159 HydrophobicContact CG-CD2 3.5Å; P90-L159 HydrophobicContact CG-CG 4.31Å
91	E	91.1	Very high	88.1	Confident	29 Å²	29	31.7 Å²	31.7	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-53.3	-51.7	-174.9	-64	-171.2	-174.3	0	0	113.5	C88 M94 L95 R123 L159	C88-E91 PolarHBondContact O-N 3.45Å; E91-M94 PolarHBondContact O-N 3.26Å; E91-L95 WeakPolarHBondContact O-CB 3.5Å; E91-L95 PolarHBondContact O-N 3.35Å; E91-R123 IonicContact OE1-CZ 3.24Å; E91-R123 IonicContact OE1-NE 3.97Å; E91-R123 IonicContact OE1-NH2 3.33Å; E91-R123 IonicContact OE2-CZ 2.75Å; E91-R123 IonicContact OE2-NE 3.59Å; E91-R123 PolarHBondContact OE2-NE 2.97Å; E91-R123 IonicContact OE2-NH2 3.92Å; E91-R123 PolarHBondContact OE2-NH2 3.22Å; E91-L159 HydrophobicContact CG-CD1 4.17Å
92	I	92.9	Very high	88.6	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-35.1	-176.6	-64.1	-62.6	0	0	0	112.2	V80 C88 P90 L95 G96 A120 C124 F128 W135 L139	V80-I92 HydrophobicContact CG1-CG2 4.41Å; V80-I92 HydrophobicContact CG2-CG2 4.18Å; C88-I92 HydrophobicContact CB-CG1 3.85Å; C88-I92 WeakPolarHBondContact O-CG1 3.25Å; C88-I92 PolarHBondContact O-N 2.98Å; P90-I92 PolarHBondContact O-N 2.98Å; I92-L95 PolarHBondContact O-N 3.4Å; I92-G96 PolarHBondContact O-N 2.85Å; I92-A120 HydrophobicContact CD1-CB 4.42Å; I92-C124 HydrophobicContact CD1-CB 3.82Å; I92-C124 HydrophobicContact CG1-CB 4.02Å; I92-F128 HydrophobicContact CD1-CE2 4.45Å; I92-F128 HydrophobicContact CG1-CE2 4.31Å; I92-F128 HydrophobicContact CG2-CE2 4.23Å; I92-F128 HydrophobicContact CG2-CZ 3.97Å; I92-W135 HydrophobicContact CD1-CH2 3.5Å; I92-W135 HydrophobicContact CD1-CZ2 4.23Å; I92-W135 HydrophobicContact CD1-CZ3 4.26Å; I92-L139 HydrophobicContact CG2-CD1 4.05Å
93	R	92.4	Very high	89.4	Confident	21 Å²	21	24.4 Å²	24.4	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-51.9	174.3	175.4	177.2	77.4	77.9	4.4	110.9	Y45 D48 I77 P90 L95 G96 C97	Y45-R93 HydrophobicContact CD1-CG 3.89Å; Y45-R93 HydrophobicContact CE1-CB 4.28Å; Y45-R93 HydrophobicContact CE1-CG 3.35Å; Y45-R93 PolarHBondContact O-NH1 3.49Å; D48-R93 IonicContact OD1-CZ 3.51Å; D48-R93 IonicContact OD1-NH1 3.5Å; D48-R93 PolarHBondContact OD1-NH1 3.22Å; D48-R93 IonicContact OD1-NH2 3.57Å; D48-R93 IonicContact OD2-CZ 2.7Å; D48-R93 IonicContact OD2-NH1 2.65Å; D48-R93 PolarHBondContact OD2-NH1 2.92Å; D48-R93 IonicContact OD2-NH2 3.74Å; D48-R93 PolarHBondContact OD2-NH2 3.41Å; I77-R93 HydrophobicContact CG2-CG 4.26Å; P90-R93 PolarHBondContact O-N 3.49Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 3.42Å; R93-G96 PolarHBondContact O-N 3.27Å; R93-C97 WeakPolarHBondContact O-CB 3.34Å; R93-C97 PolarHBondContact O-N 3.34Å; R93-C97 PolarHBondContact O-SG 2.94Å; R93-C97 VanDerWaalsContact O-SG 3.42Å
94	M	92.9	Very high	89.8	Confident	23 Å²	23	24.2 Å²	24.2	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-41.2	178.7	-69.3	-167.5	-159.6	0	0	111.7	M49 P90 E91 G96 C97 S98 L156 L159	M49-M94 WeakPolarHBondContact CE-O 2.9Å; M49-M94 HydrophobicContact SD-CB 4.21Å; M49-M94 HydrophobicContact SD-CG 4.29Å; P90-M94 HydrophobicContact CB-CE 3.77Å; P90-M94 HydrophobicContact CG-CE 3.78Å; P90-M94 WeakPolarHBondContact O-CG 3.2Å; P90-M94 PolarHBondContact O-N 3.43Å; E91-M94 PolarHBondContact O-N 3.26Å; M94-G96 PolarHBondContact O-N 3.06Å; M94-C97 PolarHBondContact O-N 3.46Å; M94-S98 WeakPolarHBondContact O-CB 2.91Å; M94-S98 PolarHBondContact O-N 2.9Å; M94-L156 HydrophobicContact CB-CD2 3.82Å; M94-L156 HydrophobicContact SD-CD2 4.33Å; M94-L159 HydrophobicContact CE-CD1 3.53Å; M94-L159 HydrophobicContact CE-CD2 3.49Å; M94-L159 VanDerWaalsContact CE-CD2 3.49Å; M94-L159 HydrophobicContact CE-CG 3.41Å; M94-L159 VanDerWaalsContact CE-CG 3.41Å; M94-L159 HydrophobicContact SD-CD1 3.54Å; M94-L159 VanDerWaalsContact SD-CD1 3.54Å; M94-L159 HydrophobicContact SD-CD2 4.5Å; M94-L159 HydrophobicContact SD-CG 3.77Å
95	L	94.1	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-45.4	176.5	-165	72.2	0	0	0	111.3	E91 I92 R93 S98 C117 A120 L139 F145 P155	E91-L95 WeakPolarHBondContact O-CB 3.5Å; E91-L95 PolarHBondContact O-N 3.35Å; I92-L95 PolarHBondContact O-N 3.4Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 3.42Å; L95-S98 WeakPolarHBondContact O-CB 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 PolarHBondContact O-OG 3.02Å; L95-C117 HydrophobicContact CD1-CB 4.23Å; L95-C117 HydrophobicContact CD2-CB 4.42Å; L95-A120 HydrophobicContact CD2-CB 3.9Å; L95-L139 HydrophobicContact CB-CD2 4.37Å; L95-L139 HydrophobicContact CD2-CD2 4.09Å; L95-L139 HydrophobicContact CG-CD2 4Å; L95-F145 HydrophobicContact CD1-CE1 3.45Å; L95-F145 VanDerWaalsContact CD1-CE1 3.45Å; L95-F145 HydrophobicContact CD1-CZ 3.7Å; L95-F145 HydrophobicContact CD2-CZ 4.41Å; L95-F145 HydrophobicContact CG-CE1 4.1Å; L95-F145 HydrophobicContact CG-CZ 3.81Å; L95-P155 HydrophobicContact CD1-CG 4.07Å
96	G	94.4	Very high	90.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-44.3	175.5	0	0	0	0	0	113.5	I92 R93 M94 S98 V99 L100	I92-G96 PolarHBondContact O-N 2.85Å; R93-G96 PolarHBondContact O-N 3.27Å; M94-G96 PolarHBondContact O-N 3.06Å; G96-S98 PolarHBondContact O-N 2.65Å; G96-V99 PolarHBondContact O-N 3.29Å; G96-L100 WeakPolarHBondContact O-CG 3.46Å; G96-L100 PolarHBondContact O-N 2.65Å
97	C	94.8	Very high	90.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-32.9	174.7	-75.5	0	0	0	0	112.3	C46 M49 R93 M94 V99 L100 A101	C46-C97 WeakPolarHBondContact CA-SG 3.39Å; C46-C97 HydrophobicContact CB-CB 3.6Å; C46-C97 WeakPolarHBondContact CB-SG 3.47Å; C46-C97 VanDerWaalsContact SG-CA 3.53Å; C46-C97 WeakPolarHBondContact SG-CB 3.32Å; C46-C97 CovalentContact SG-SG 2.04Å; C46-C97 PolarHBondContact SG-SG 3.43Å; M49-C97 HydrophobicContact CE-CB 4.17Å; M49-C97 HydrophobicContact CG-CB 4.03Å; M49-C97 HydrophobicContact SD-CB 3.54Å; M49-C97 VanDerWaalsContact SD-CB 3.54Å; R93-C97 WeakPolarHBondContact O-CB 3.34Å; R93-C97 PolarHBondContact O-N 3.34Å; R93-C97 PolarHBondContact O-SG 2.94Å; R93-C97 VanDerWaalsContact O-SG 3.42Å; M94-C97 PolarHBondContact O-N 3.46Å; C97-V99 PolarHBondContact O-N 2.68Å; C97-L100 PolarHBondContact O-N 3.3Å; C97-A101 CarbonylContact O-C 3.53Å; C97-A101 WeakPolarHBondContact O-CA 3.26Å; C97-A101 WeakPolarHBondContact O-CB 3.41Å; C97-A101 PolarHBondContact O-N 3.33Å
98	S	94.8	Very high	91.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-22.8	175.3	82	0	0	0	0	114.1	Y51 M94 L95 G96 P102 Y153	Y51-S98 WeakPolarHBondContact OH-CA 3.39Å; M94-S98 WeakPolarHBondContact O-CB 2.91Å; M94-S98 PolarHBondContact O-N 2.9Å; L95-S98 WeakPolarHBondContact O-CB 3.49Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-S98 PolarHBondContact O-OG 3.02Å; G96-S98 PolarHBondContact O-N 2.65Å; S98-P102 VanDerWaalsContact O-CA 3.26Å; S98-P102 WeakPolarHBondContact O-CA 3.39Å; S98-P102 WeakPolarHBondContact O-CB 3.26Å; S98-Y153 PolarHBondContact O-OH 3Å
99	V	95.3	Very high	91.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-92.7	-39.9	176.9	-177	0	0	0	0	111.1	I59 V60 G96 C97 P112 F144 F145	I59-V99 HydrophobicContact CB-CG1 4.13Å; I59-V99 HydrophobicContact CG2-CG1 3.94Å; V60-V99 HydrophobicContact CG2-CG1 3.62Å; G96-V99 PolarHBondContact O-N 3.29Å; C97-V99 PolarHBondContact O-N 2.68Å; V99-P112 HydrophobicContact CG2-CG 4.44Å; V99-F144 HydrophobicContact CG1-CB 4.1Å; V99-F144 HydrophobicContact CG1-CD1 4.44Å; V99-F144 HydrophobicContact CG1-CG 4.17Å; V99-F144 HydrophobicContact CG2-CB 4.34Å; V99-F145 HydrophobicContact CG2-CE1 4.36Å; V99-F145 HydrophobicContact CG2-CE2 3.85Å; V99-F145 HydrophobicContact CG2-CZ 3.55Å
100	L	94.4	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-78.7	-34.2	-178.6	-65.3	173.4	0	0	0	113.5	N58 V60 E73 Y74 I77 G96 C97	N58-L100 WeakPolarHBondContact CB-O 3.49Å; N58-L100 PolarHBondContact ND2-O 3.27Å; V60-L100 HydrophobicContact CG2-CD2 3.94Å; E73-L100 HydrophobicContact CB-CD1 4.26Å; E73-L100 HydrophobicContact CB-CD2 3.61Å; E73-L100 HydrophobicContact CB-CG 4.48Å; E73-L100 HydrophobicContact CG-CD2 4.48Å; Y74-L100 HydrophobicContact CD2-CD1 4.24Å; I77-L100 HydrophobicContact CB-CD1 4.42Å; I77-L100 HydrophobicContact CG1-CD1 4.06Å; G96-L100 WeakPolarHBondContact O-CG 3.46Å; G96-L100 PolarHBondContact O-N 2.65Å; C97-L100 PolarHBondContact O-N 3.3Å
101	A	94.6	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-128.6	64	178.9	0	0	0	0	0	110.1	I41 L43 C46 Y51 T54 C97	I41-A101 HydrophobicContact CG2-CB 4.35Å; L43-A101 HydrophobicContact CD1-CB 4.06Å; C46-A101 HydrophobicContact CB-CB 4.4Å; Y51-A101 WeakPolarHBondContact CE2-O 3.33Å; Y51-A101 PolarHBondContact OH-O 3.35Å; T54-A101 WeakPolarHBondContact OG1-CA 3.34Å; C97-A101 CarbonylContact O-C 3.53Å; C97-A101 WeakPolarHBondContact O-CA 3.26Å; C97-A101 WeakPolarHBondContact O-CB 3.41Å; C97-A101 PolarHBondContact O-N 3.33Å
102	P	94.3	Very high	91.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.			trans	-68.3	148	-172.6	32.4	-39.6	0	0	0	112.1	T54 N58 I59 S98 C104 V109	T54-P102 WeakPolarHBondContact CA-O 3.02Å; T54-P102 PolarHBondContact OG1-O 2.77Å; N58-P102 HydrophobicContact CB-CG 4.33Å; I59-P102 HydrophobicContact CD1-CB 3.52Å; I59-P102 HydrophobicContact CD1-CG 4.15Å; I59-P102 HydrophobicContact CG1-CB 3.9Å; I59-P102 HydrophobicContact CG1-CG 3.95Å; S98-P102 VanDerWaalsContact O-CA 3.26Å; S98-P102 WeakPolarHBondContact O-CA 3.39Å; S98-P102 WeakPolarHBondContact O-CB 3.26Å; P102-C104 PolarHBondContact O-N 3.37Å; P102-V109 HydrophobicContact CB-CG1 3.55Å; P102-V109 HydrophobicContact CG-CG1 3.43Å; P102-V109 VanDerWaalsContact CG-CG1 3.43Å
103	R	93.8	Very high	92	Very high	91 Å²	91	34.3 Å²	34.3	34%	0.343	18%	0.181	S	C	.	.			trans	-58.1	134.1	175.9	-178	175.9	168.8	160.7	-4.1	110.5	Y51 E105 L110 Y153	Y51-R103 HydrophobicContact CD1-CB 4.08Å; Y51-R103 HydrophobicContact CD1-CG 4.47Å; Y51-R103 HydrophobicContact CD2-CB 3.79Å; Y51-R103 HydrophobicContact CD2-CG 4.14Å; Y51-R103 HydrophobicContact CE1-CB 4.2Å; Y51-R103 HydrophobicContact CE2-CB 3.91Å; Y51-R103 HydrophobicContact CG-CB 3.88Å; Y51-R103 HydrophobicContact CG-CG 4Å; R103-E105 IonicContact CZ-OE1 3.35Å; R103-E105 IonicContact NE-OE1 3.18Å; R103-E105 PolarHBondContact NE-OE1 2.81Å; R103-E105 IonicContact NH2-OE1 2.75Å; R103-E105 PolarHBondContact NH2-OE1 3.41Å; R103-L110 HydrophobicContact CG-CD1 4.36Å; R103-L110 WeakPolarHBondContact O-CB 3.37Å; R103-L110 PolarHBondContact O-N 3.25Å; R103-Y153 HydrophobicContact CB-CD1 4.13Å; R103-Y153 HydrophobicContact CB-CE1 3.65Å; R103-Y153 HydrophobicContact CB-CE2 4.27Å; R103-Y153 PolarHBondContact N-OH 2.84Å; R103-Y153 VanDerWaalsContact N-OH 3.15Å
104	C	91.4	Very high	92.2	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.054	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136	177.6	178.6	0	0	0	0	111.7	C38 R53 M55 P102	C38-C104 HydrophobicContact CB-CB 3.7Å; C38-C104 WeakPolarHBondContact CB-SG 3.34Å; C38-C104 WeakPolarHBondContact SG-CB 3.24Å; C38-C104 CovalentContact SG-SG 2.03Å; C38-C104 PolarHBondContact SG-SG 3.27Å; R53-C104 PolarHBondContact O-N 2.91Å; R53-C104 VanDerWaalsContact O-N 3.14Å; M55-C104 HydrophobicContact CB-CB 3.82Å; M55-C104 VanDerWaalsContact CB-SG 3.5Å; M55-C104 VanDerWaalsContact CE-SG 3.58Å; P102-C104 PolarHBondContact O-N 3.37Å
105	E	88.1	Confident	92.2	Very high	98 Å²	98	38.4 Å²	38.4	46%	0.458	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	115.7	172	-72	-175.2	-176.1	0	0	110.2	R103 S107 K108 L110	R103-E105 IonicContact CZ-OE1 3.35Å; R103-E105 IonicContact NE-OE1 3.18Å; R103-E105 PolarHBondContact NE-OE1 2.81Å; R103-E105 IonicContact NH2-OE1 2.75Å; R103-E105 PolarHBondContact NH2-OE1 3.41Å; E105-S107 PolarHBondContact O-N 3.19Å; E105-S107 VanDerWaalsContact O-N 3.1Å; E105-K108 PolarHBondContact N-O 2.81Å; E105-K108 PolarHBondContact O-N 3.26Å; E105-K108 VanDerWaalsContact O-N 3.1Å; E105-L110 HydrophobicContact CB-CD1 4.24Å; E105-L110 VanDerWaalsContact CD-CD1 3.43Å; E105-L110 HydrophobicContact CG-CD1 3.71Å; E105-L110 HydrophobicContact CG-CG 4.48Å
106	G	82.7	Confident	92.2	Very high	63 Å²	63	38.6 Å²	38.6	65%	0.649	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	-103.9	-176.8	0	0	0	0	0	113.1	C38	C38-G106 PolarHBondContact SG-O 3.39Å
107	S	82.4	Confident	92.3	Very high	90 Å²	90	38.6 Å²	38.6	63%	0.629	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	23.1	175.6	-59.3	0	0	0	0	111.7	E105	E105-S107 PolarHBondContact O-N 3.19Å; E105-S107 VanDerWaalsContact O-N 3.1Å
108	K	86.8	Confident	92.3	Very high	140 Å²	140	43.3 Å²	43.3	61%	0.609	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.9	-178.7	-168	-177.3	176.4	-168.8	0	110.7	E105	E105-K108 PolarHBondContact N-O 2.81Å; E105-K108 PolarHBondContact O-N 3.26Å; E105-K108 VanDerWaalsContact O-N 3.1Å
109	V	90.6	Very high	92.1	Very high	36 Å²	36	45 Å²	45	22%	0.218	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.4	167.1	-178.9	0	0	0	0	108.6	M55 I59 P102	M55-V109 HydrophobicContact CB-CG2 4.37Å; M55-V109 HydrophobicContact CE-CB 4.3Å; M55-V109 HydrophobicContact CE-CG2 3.33Å; M55-V109 VanDerWaalsContact CE-N 3.35Å; I59-V109 HydrophobicContact CD1-CG1 4.3Å; I59-V109 HydrophobicContact CG1-CG1 3.9Å; P102-V109 HydrophobicContact CB-CG1 3.55Å; P102-V109 HydrophobicContact CG-CG1 3.43Å; P102-V109 VanDerWaalsContact CG-CG1 3.43Å
110	L	92	Very high	92	Very high	33 Å²	33	45 Å²	45	17%	0.173	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-90.1	138.4	168.4	-64.6	179.1	0	0	0	109.1	R103 E105 Y153	R103-L110 HydrophobicContact CG-CD1 4.36Å; R103-L110 WeakPolarHBondContact O-CB 3.37Å; R103-L110 PolarHBondContact O-N 3.25Å; E105-L110 HydrophobicContact CB-CD1 4.24Å; E105-L110 VanDerWaalsContact CD-CD1 3.43Å; E105-L110 HydrophobicContact CG-CD1 3.71Å; E105-L110 HydrophobicContact CG-CG 4.48Å; L110-Y153 HydrophobicContact CB-CD1 4.03Å; L110-Y153 HydrophobicContact CB-CE1 4.2Å; L110-Y153 WeakPolarHBondContact O-CE1 3.49Å
111	R	92.7	Very high	92	Very high	111 Å²	111	48.6 Å²	48.6	42%	0.419	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-94.6	145.4	178.8	-70.7	-173.5	175.5	-165.8	-2.9	110.7	I59 V146 C152 Y153	I59-R111 HydrophobicContact CD1-CB 4.47Å; I59-R111 HydrophobicContact CD1-CG 3.99Å; I59-R111 HydrophobicContact CG1-CG 4.44Å; R111-V146 HydrophobicContact CB-CG1 4.04Å; R111-V146 HydrophobicContact CB-CG2 3.84Å; R111-V146 VanDerWaalsContact CD-CG1 3.49Å; R111-V146 HydrophobicContact CG-CG1 4.4Å; R111-C152 VanDerWaalsContact O-CA 3.29Å; R111-C152 WeakPolarHBondContact O-CA 3.43Å; R111-C152 VanDerWaalsContact O-CB 3.3Å; R111-C152 WeakPolarHBondContact O-CB 3.11Å; R111-Y153 PolarHBondContact O-N 3.21Å
112	P	95.1	Very high	91.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-69.9	156.3	175.3	27.9	-33.9	0	0	0	112.2	V99 F145 V146 Y153 P155	V99-P112 HydrophobicContact CG2-CG 4.44Å; P112-F145 HydrophobicContact CB-CD1 3.58Å; P112-F145 HydrophobicContact CB-CE1 3.61Å; P112-F145 HydrophobicContact CG-CD1 3.38Å; P112-F145 HydrophobicContact CG-CE1 3.36Å; P112-F145 HydrophobicContact CG-CG 4.13Å; P112-F145 HydrophobicContact CG-CZ 4.13Å; P112-F145 WeakPolarHBondContact O-CA 3.31Å; P112-F145 WeakPolarHBondContact O-CB 3.34Å; P112-V146 PolarHBondContact O-N 3.42Å; P112-V146 VanDerWaalsContact O-N 3.1Å; P112-Y153 CarbonylContact C-O 3.6Å; P112-Y153 WeakPolarHBondContact CA-O 3.22Å; P112-Y153 HydrophobicContact CB-CE1 4.4Å; P112-P155 HydrophobicContact CB-CG 4.12Å
113	C	95.5	Very high	91.6	Very high	7 Å²	7	62.4 Å²	62.4	5%	0.047	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-73.6	135	-176.7	-64.7	0	0	0	0	113.2	S115 A116 C117 F145 C152 Y153	C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 PolarHBondContact O-N 3.27Å; C113-A116 PolarHBondContact O-N 3.03Å; C113-C117 PolarHBondContact O-N 2.88Å; C113-F145 WeakPolarHBondContact O-CD1 3.21Å; C113-C152 WeakPolarHBondContact CA-SG 3.45Å; C113-C152 HydrophobicContact CB-CB 3.9Å; C113-C152 WeakPolarHBondContact CB-SG 3.36Å; C113-C152 WeakPolarHBondContact SG-CB 3.3Å; C113-C152 CovalentContact SG-SG 2.03Å; C113-C152 PolarHBondContact SG-SG 3.04Å; C113-Y153 PolarHBondContact N-O 3.06Å; C113-Y153 PolarHBondContact SG-N 3.17Å; C113-Y153 PolarHBondContact SG-O 3.23Å; C113-Y153 VanDerWaalsContact SG-O 3.35Å
114	R	95.5	Very high	91.6	Very high	74 Å²	74	58.1 Å²	58.1	28%	0.279	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-38.9	178.4	-176.2	-176.2	-60.9	-155.2	-7.3	112.6	A116 C117 E118 C141 D142 F145 V146	R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 3.12Å; R114-C117 WeakPolarHBondContact O-CB 3.4Å; R114-C117 PolarHBondContact O-N 2.9Å; R114-C117 VanDerWaalsContact O-N 3.12Å; R114-E118 VanDerWaalsContact CD-OE1 3.3Å; R114-E118 WeakPolarHBondContact CD-OE1 3.33Å; R114-E118 HydrophobicContact CG-CG 4.16Å; R114-E118 WeakPolarHBondContact CG-OE1 3.34Å; R114-E118 PolarHBondContact O-N 3.13Å; R114-C141 HydrophobicContact CG-CB 4.24Å; R114-D142 IonicContact CZ-OD1 3.76Å; R114-D142 VanDerWaalsContact CZ-OD1 3.24Å; R114-D142 IonicContact NE-OD1 2.64Å; R114-D142 IonicContact NH1-OD1 3.19Å; R114-D142 PolarHBondContact NH1-OD1 3.23Å; R114-D142 IonicContact NH2-OD1 3.18Å; R114-F145 HydrophobicContact CB-CB 4.04Å; R114-V146 WeakPolarHBondContact CB-O 3.4Å; R114-V146 PolarHBondContact N-O 3.49Å
115	S	93.9	Very high	91.5	Very high	56 Å²	56	59.4 Å²	59.4	39%	0.392	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-38.7	178	51.5	0	0	0	0	112.7	C113 A119	C113-S115 VanDerWaalsContact C-N 3.31Å; C113-S115 PolarHBondContact O-N 3.27Å; S115-A119 WeakPolarHBondContact O-CB 3.38Å; S115-A119 PolarHBondContact O-N 3.23Å; S115-A119 VanDerWaalsContact O-N 3.13Å
116	A	93.4	Very high	91.5	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-42.9	176.2	0	0	0	0	0	112.1	C113 R114 A119 A120 D154 P155	C113-A116 PolarHBondContact O-N 3.03Å; R114-A116 VanDerWaalsContact C-N 3.27Å; R114-A116 PolarHBondContact O-N 3.12Å; A116-A119 PolarHBondContact O-N 3.14Å; A116-A120 WeakPolarHBondContact O-CB 3.47Å; A116-A120 PolarHBondContact O-N 3.16Å; A116-D154 WeakPolarHBondContact CB-OD1 3.35Å; A116-P155 HydrophobicContact CB-CG 4.5Å
117	C	95.6	Very high	91.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-48.3	176.5	-179.8	0	0	0	0	112.2	L95 C113 R114 A119 A120 H121 L139 C141 F145	L95-C117 HydrophobicContact CD1-CB 4.23Å; L95-C117 HydrophobicContact CD2-CB 4.42Å; C113-C117 PolarHBondContact O-N 2.88Å; R114-C117 WeakPolarHBondContact O-CB 3.4Å; R114-C117 PolarHBondContact O-N 2.9Å; R114-C117 VanDerWaalsContact O-N 3.12Å; C117-A119 VanDerWaalsContact C-N 3.3Å; C117-A119 PolarHBondContact O-N 3.44Å; C117-A120 PolarHBondContact O-N 3.17Å; C117-H121 WeakPolarHBondContact O-CB 3.17Å; C117-H121 PolarHBondContact O-N 3.16Å; C117-L139 PolarHBondContact SG-O 3.03Å; C117-L139 VanDerWaalsContact SG-O 3.37Å; C117-C141 HydrophobicContact CB-CB 3.77Å; C117-C141 WeakPolarHBondContact CB-SG 3.43Å; C117-C141 WeakPolarHBondContact SG-CA 3.29Å; C117-C141 WeakPolarHBondContact SG-CB 3.02Å; C117-C141 CovalentContact SG-SG 2.04Å; C117-C141 PolarHBondContact SG-SG 3.25Å; C117-F145 HydrophobicContact CB-CB 4.49Å; C117-F145 HydrophobicContact CB-CD1 3.63Å; C117-F145 HydrophobicContact CB-CD2 3.88Å; C117-F145 HydrophobicContact CB-CE1 3.76Å; C117-F145 HydrophobicContact CB-CE2 3.98Å; C117-F145 HydrophobicContact CB-CG 3.73Å; C117-F145 HydrophobicContact CB-CZ 3.94Å; C117-F145 VanDerWaalsContact SG-CE2 3.58Å
118	E	94.6	Very high	92	Very high	100 Å²	100	53 Å²	53	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-38.2	-179.8	-71.9	175.4	177	0	0	111.8	R114 K122 C141	R114-E118 VanDerWaalsContact CD-OE1 3.3Å; R114-E118 WeakPolarHBondContact CD-OE1 3.33Å; R114-E118 HydrophobicContact CG-CG 4.16Å; R114-E118 WeakPolarHBondContact CG-OE1 3.34Å; R114-E118 PolarHBondContact O-N 3.13Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 2.98Å; E118-C141 HydrophobicContact CG-CB 4.07Å; E118-C141 PolarHBondContact N-SG 3.29Å
119	A	92.3	Very high	92	Very high	35 Å²	35	51.4 Å²	51.4	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-45.3	175.6	0	0	0	0	0	112	S115 A116 C117 K122 R123	S115-A119 WeakPolarHBondContact O-CB 3.38Å; S115-A119 PolarHBondContact O-N 3.23Å; S115-A119 VanDerWaalsContact O-N 3.13Å; A116-A119 PolarHBondContact O-N 3.14Å; C117-A119 VanDerWaalsContact C-N 3.3Å; C117-A119 PolarHBondContact O-N 3.44Å; A119-K122 PolarHBondContact O-N 3.44Å; A119-R123 PolarHBondContact O-N 3.06Å
120	A	93.1	Very high	91.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-43.9	176	0	0	0	0	0	111.6	I92 L95 A116 C117 K122 R123 C124	I92-A120 HydrophobicContact CD1-CB 4.42Å; L95-A120 HydrophobicContact CD2-CB 3.9Å; A116-A120 WeakPolarHBondContact O-CB 3.47Å; A116-A120 PolarHBondContact O-N 3.16Å; C117-A120 PolarHBondContact O-N 3.17Å; A120-K122 PolarHBondContact O-N 3.27Å; A120-R123 PolarHBondContact O-N 2.93Å; A120-C124 VanDerWaalsContact O-CB 3.25Å; A120-C124 WeakPolarHBondContact O-CB 3.36Å; A120-C124 PolarHBondContact O-N 3.33Å
121	H	93.9	Very high	91.1	Very high	75 Å²	75	52.5 Å²	52.5	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-47.6	175.4	-178.6	-79.2	0	0	0	111.4	C117 R123 C124 S125 W135	C117-H121 WeakPolarHBondContact O-CB 3.17Å; C117-H121 PolarHBondContact O-N 3.16Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.07Å; H121-C124 PolarHBondContact O-N 3.02Å; H121-S125 WeakPolarHBondContact O-CB 3.36Å; H121-S125 PolarHBondContact O-N 3.45Å; H121-S125 PolarHBondContact O-OG 3.44Å; H121-W135 HydrophobicContact CB-CH2 4.1Å; H121-W135 HydrophobicContact CB-CZ2 3.91Å; H121-W135 AromaticContact CD2-CD1 3.95Å; H121-W135 AromaticContact CD2-CD2 3.46Å; H121-W135 VanDerWaalsContact CD2-CD2 3.46Å; H121-W135 AromaticContact CD2-CE2 3.44Å; H121-W135 VanDerWaalsContact CD2-CE2 3.44Å; H121-W135 AromaticContact CD2-CE3 3.9Å; H121-W135 AromaticContact CD2-CG 3.81Å; H121-W135 AromaticContact CD2-CZ2 3.83Å; H121-W135 AromaticContact CD2-NE1 3.72Å
122	K	90.6	Very high	90.7	Very high	180 Å²	180	52.4 Å²	52.4	78%	0.783	27%	0.271	S	S	*	.	H	α-helix	trans	-60.7	-36.6	179.2	-175.2	179.2	177.6	-176.6	0	113	E118 A119 A120	E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 2.98Å; A119-K122 PolarHBondContact O-N 3.44Å; A120-K122 PolarHBondContact O-N 3.27Å
123	R	90	Very high	90.3	Very high	111 Å²	111	52.6 Å²	52.6	42%	0.419	27%	0.272	S	S	.	.	H	α-helix	trans	-78.9	-38.3	178.7	-72	-169	-63	-87.7	-2.3	112.5	E91 A119 A120 H121 H126	E91-R123 IonicContact OE1-CZ 3.24Å; E91-R123 IonicContact OE1-NE 3.97Å; E91-R123 IonicContact OE1-NH2 3.33Å; E91-R123 IonicContact OE2-CZ 2.75Å; E91-R123 IonicContact OE2-NE 3.59Å; E91-R123 PolarHBondContact OE2-NE 2.97Å; E91-R123 IonicContact OE2-NH2 3.92Å; E91-R123 PolarHBondContact OE2-NH2 3.22Å; A119-R123 PolarHBondContact O-N 3.06Å; A120-R123 PolarHBondContact O-N 2.93Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.07Å; R123-H126 PolarHBondContact O-CE1 3Å; R123-H126 PolarHBondContact O-ND1 2.87Å
124	C	93.4	Very high	90	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-109.7	-6	-163.9	-67.4	0	0	0	0	115.3	C88 I92 A120 H121 H126 A127 W135	C88-C124 HydrophobicContact CB-CB 3.67Å; C88-C124 WeakPolarHBondContact CB-SG 3.33Å; C88-C124 WeakPolarHBondContact SG-CA 3.32Å; C88-C124 WeakPolarHBondContact SG-CB 3.47Å; C88-C124 CovalentContact SG-SG 2.03Å; C88-C124 PolarHBondContact SG-SG 2.9Å; I92-C124 HydrophobicContact CD1-CB 3.82Å; I92-C124 HydrophobicContact CG1-CB 4.02Å; A120-C124 VanDerWaalsContact O-CB 3.25Å; A120-C124 WeakPolarHBondContact O-CB 3.36Å; A120-C124 PolarHBondContact O-N 3.33Å; H121-C124 PolarHBondContact O-N 3.02Å; C124-H126 PolarHBondContact O-N 3.23Å; C124-A127 PolarHBondContact O-N 2.87Å; C124-A127 VanDerWaalsContact O-N 3.12Å; C124-W135 HydrophobicContact CB-CH2 4.4Å; C124-W135 HydrophobicContact CB-CZ3 4.33Å
125	S	89.8	Confident	89.8	Confident	35 Å²	35	52.3 Å²	52.3	25%	0.245	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-42.4	177.8	61.2	0	0	0	0	111.7	H121 A127 F128 E129	H121-S125 WeakPolarHBondContact O-CB 3.36Å; H121-S125 PolarHBondContact O-N 3.45Å; H121-S125 PolarHBondContact O-OG 3.44Å; S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.25Å; S125-F128 PolarHBondContact O-N 3.22Å; S125-E129 WeakPolarHBondContact O-CG 3.36Å; S125-E129 PolarHBondContact O-N 3.46Å
126	H	87.9	Confident	89.7	Confident	106 Å²	106	49.7 Å²	49.7	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-59.4	-32.8	-178.7	78.6	-81.3	0	0	0	113.7	R123 C124 E129 G130	R123-H126 PolarHBondContact O-CE1 3Å; R123-H126 PolarHBondContact O-ND1 2.87Å; C124-H126 PolarHBondContact O-N 3.23Å; H126-E129 WeakPolarHBondContact O-CB 3.49Å; H126-E129 PolarHBondContact O-N 3.13Å; H126-G130 PolarHBondContact O-N 3.35Å
127	A	87.4	Confident	89.6	Confident	6 Å²	6	52.8 Å²	52.8	5%	0.05	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-42.1	179.1	0	0	0	0	0	111.1	L84 Q87 C124 S125 E129 G130	L84-A127 HydrophobicContact CD1-CB 4.42Å; L84-A127 HydrophobicContact CD2-CB 4.12Å; Q87-A127 HydrophobicContact CB-CB 4.43Å; C124-A127 PolarHBondContact O-N 2.87Å; C124-A127 VanDerWaalsContact O-N 3.12Å; S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 3.25Å; A127-E129 VanDerWaalsContact C-N 3.34Å; A127-G130 PolarHBondContact O-N 3.44Å
128	F	88.3	Confident	89.4	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-36.1	172.6	-73.8	-91.5	0	0	0	112	V80 L84 I92 S125 G130 I131 Q132 M133 W135 P136	V80-F128 HydrophobicContact CG2-CE1 4.12Å; V80-F128 HydrophobicContact CG2-CZ 3.77Å; L84-F128 HydrophobicContact CD1-CD2 4.28Å; L84-F128 HydrophobicContact CD1-CE2 3.72Å; L84-F128 HydrophobicContact CD1-CZ 3.86Å; L84-F128 HydrophobicContact CD2-CD1 4.42Å; L84-F128 HydrophobicContact CD2-CD2 4.43Å; L84-F128 HydrophobicContact CD2-CG 4.37Å; I92-F128 HydrophobicContact CD1-CE2 4.45Å; I92-F128 HydrophobicContact CG1-CE2 4.31Å; I92-F128 HydrophobicContact CG2-CE2 4.23Å; I92-F128 HydrophobicContact CG2-CZ 3.97Å; S125-F128 PolarHBondContact O-N 3.22Å; F128-G130 VanDerWaalsContact C-N 3.33Å; F128-G130 PolarHBondContact O-N 2.04Å; F128-I131 WeakPolarHBondContact O-CG1 3.37Å; F128-I131 PolarHBondContact O-N 2.91Å; F128-Q132 PolarHBondContact O-N 2.92Å; F128-M133 HydrophobicContact CD1-CB 4.23Å; F128-M133 HydrophobicContact CD1-CG 4.11Å; F128-M133 HydrophobicContact CD1-SD 3.88Å; F128-M133 HydrophobicContact CE1-SD 3.95Å; F128-M133 PolarHBondContact O-N 2.73Å; F128-W135 AromaticContact CD2-CE3 3.75Å; F128-W135 HydrophobicContact CD2-CE3 3.75Å; F128-W135 AromaticContact CD2-CZ3 3.61Å; F128-W135 HydrophobicContact CD2-CZ3 3.61Å; F128-W135 HydrophobicContact CE2-CE3 4.09Å; F128-W135 HydrophobicContact CE2-CH2 4.43Å; F128-W135 AromaticContact CE2-CZ3 3.72Å; F128-W135 HydrophobicContact CE2-CZ3 3.72Å; F128-W135 HydrophobicContact CG-CE3 4.24Å; F128-P136 HydrophobicContact CE1-CG 3.76Å; F128-P136 HydrophobicContact CZ-CG 4.08Å
129	E	85.5	Confident	89.4	Confident	108 Å²	108	48 Å²	48	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-38.8	174.5	-63.5	-164.7	127.6	0	0	112.5	S125 H126 A127 I131 Q132 K657	S125-E129 WeakPolarHBondContact O-CG 3.36Å; S125-E129 PolarHBondContact O-N 3.46Å; H126-E129 WeakPolarHBondContact O-CB 3.49Å; H126-E129 PolarHBondContact O-N 3.13Å; A127-E129 VanDerWaalsContact C-N 3.34Å; E129-I131 PolarHBondContact O-N 3.3Å; E129-Q132 PolarHBondContact O-N 3.26Å; E129-K657 IonicContact OE1-NZ 2.77Å; E129-K657 PolarHBondContact OE1-NZ 2.84Å
130	G	80.9	Confident	89.4	Confident	67 Å²	67	49.5 Å²	49.5	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-58.9	-32.5	177.9	0	0	0	0	0	113.4	H126 A127 F128	H126-G130 PolarHBondContact O-N 3.35Å; A127-G130 PolarHBondContact O-N 3.44Å; F128-G130 VanDerWaalsContact C-N 3.33Å; F128-G130 PolarHBondContact O-N 2.04Å
131	I	82.8	Confident	89.5	Confident	25 Å²	25	50.2 Å²	50.2	13%	0.128	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	9.2	176.7	64.2	164	0	0	0	113.6	L83 L84 F128 E129 M133 W639 W640	L83-I131 HydrophobicContact CB-CD1 4.36Å; L84-I131 HydrophobicContact CD2-CD1 3.77Å; L84-I131 HydrophobicContact CD2-CG1 4.26Å; F128-I131 WeakPolarHBondContact O-CG1 3.37Å; F128-I131 PolarHBondContact O-N 2.91Å; E129-I131 PolarHBondContact O-N 3.3Å; I131-M133 HydrophobicContact CD1-CB 3.74Å; I131-M133 HydrophobicContact CD1-CE 4.21Å; I131-M133 HydrophobicContact CD1-SD 4.16Å; I131-M133 HydrophobicContact CG1-CB 3.76Å; I131-M133 PolarHBondContact O-N 3.15Å; I131-W639 HydrophobicContact CG2-CZ2 4.37Å; I131-W640 PolarHBondContact O-NE1 2.91Å
132	Q	84.7	Confident	89.4	Confident	109 Å²	109	51.9 Å²	51.9	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	27	-176.1	-53.7	-174.8	-1.1	0	0	114.8	F128 E129 P638	F128-Q132 PolarHBondContact O-N 2.92Å; E129-Q132 PolarHBondContact O-N 3.26Å; Q132-P638 HydrophobicContact CB-CG 4.09Å
133	M	86.7	Confident	89.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.02	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-91.6	137.7	175.1	-173.6	177.4	-81.4	0	0	110.1	L76 L83 F128 I131 W640 F644 L655	L76-M133 HydrophobicContact CD1-CE 4.03Å; L76-M133 HydrophobicContact CD1-SD 3.93Å; L83-M133 HydrophobicContact CD1-CE 3.74Å; F128-M133 HydrophobicContact CD1-CB 4.23Å; F128-M133 HydrophobicContact CD1-CG 4.11Å; F128-M133 HydrophobicContact CD1-SD 3.88Å; F128-M133 HydrophobicContact CE1-SD 3.95Å; F128-M133 PolarHBondContact O-N 2.73Å; I131-M133 HydrophobicContact CD1-CB 3.74Å; I131-M133 HydrophobicContact CD1-CE 4.21Å; I131-M133 HydrophobicContact CD1-SD 4.16Å; I131-M133 HydrophobicContact CG1-CB 3.76Å; I131-M133 PolarHBondContact O-N 3.15Å; M133-W640 HydrophobicContact CB-CZ2 3.79Å; M133-W640 HydrophobicContact CE-CB 4.48Å; M133-W640 HydrophobicContact CE-CD2 3.32Å; M133-W640 HydrophobicContact CE-CE3 3.45Å; M133-W640 VanDerWaalsContact CE-CE3 3.45Å; M133-W640 HydrophobicContact CE-CG 3.78Å; M133-W640 HydrophobicContact CE-CH2 4.21Å; M133-W640 HydrophobicContact CE-CZ2 4.07Å; M133-W640 HydrophobicContact CE-CZ3 3.89Å; M133-W640 HydrophobicContact CG-CH2 4.36Å; M133-W640 HydrophobicContact CG-CZ2 4.01Å; M133-F644 HydrophobicContact CE-CE2 4.27Å; M133-L655 HydrophobicContact CE-CD2 4.38Å; M133-L655 HydrophobicContact CG-CD2 3.99Å; M133-L655 HydrophobicContact SD-CD2 3.98Å
134	A	89.1	Confident	89.7	Confident	24 Å²	24	45.4 Å²	45.4	20%	0.198	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-68.7	147	170.7	0	0	0	0	0	110.4	L655	A134-L655 PolarHBondContact N-O 3.02Å
135	W	91	Very high	89.8	Confident	51 Å²	51	45.5 Å²	45.5	19%	0.193	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.7	130.7	174.5	-173.8	-98.4	0	0	0	109.9	I92 H121 C124 F128 Y137 L139	I92-W135 HydrophobicContact CD1-CH2 3.5Å; I92-W135 HydrophobicContact CD1-CZ2 4.23Å; I92-W135 HydrophobicContact CD1-CZ3 4.26Å; H121-W135 HydrophobicContact CB-CH2 4.1Å; H121-W135 HydrophobicContact CB-CZ2 3.91Å; H121-W135 AromaticContact CD2-CD1 3.95Å; H121-W135 AromaticContact CD2-CD2 3.46Å; H121-W135 VanDerWaalsContact CD2-CD2 3.46Å; H121-W135 AromaticContact CD2-CE2 3.44Å; H121-W135 VanDerWaalsContact CD2-CE2 3.44Å; H121-W135 AromaticContact CD2-CE3 3.9Å; H121-W135 AromaticContact CD2-CG 3.81Å; H121-W135 AromaticContact CD2-CZ2 3.83Å; H121-W135 AromaticContact CD2-NE1 3.72Å; C124-W135 HydrophobicContact CB-CH2 4.4Å; C124-W135 HydrophobicContact CB-CZ3 4.33Å; F128-W135 AromaticContact CD2-CE3 3.75Å; F128-W135 HydrophobicContact CD2-CE3 3.75Å; F128-W135 AromaticContact CD2-CZ3 3.61Å; F128-W135 HydrophobicContact CD2-CZ3 3.61Å; F128-W135 HydrophobicContact CE2-CE3 4.09Å; F128-W135 HydrophobicContact CE2-CH2 4.43Å; F128-W135 AromaticContact CE2-CZ3 3.72Å; F128-W135 HydrophobicContact CE2-CZ3 3.72Å; F128-W135 HydrophobicContact CG-CE3 4.24Å; W135-Y137 PolarHBondContact O-N 3.12Å; W135-L139 HydrophobicContact CZ2-CB 4.21Å; W135-L139 HydrophobicContact CZ2-CD1 4.26Å; W135-L139 VanDerWaalsContact NE1-CB 3.33Å; W135-L139 PolarHBondContact NE1-O 3.19Å
136	P	92	Very high	90	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-58.2	128.6	-173.6	-26.2	34.5	0	0	0	112.2	L76 F128 F138 L139	L76-P136 HydrophobicContact CD2-CB 3.83Å; L76-P136 HydrophobicContact CD2-CG 3.77Å; F128-P136 HydrophobicContact CE1-CG 3.76Å; F128-P136 HydrophobicContact CZ-CG 4.08Å; P136-F138 HydrophobicContact CB-CD1 4.05Å; P136-F138 HydrophobicContact CB-CE1 3.61Å; P136-F138 HydrophobicContact CB-CZ 3.87Å; P136-F138 PolarHBondContact O-N 3.19Å; P136-F138 VanDerWaalsContact O-N 3.16Å; P136-L139 HydrophobicContact CB-CB 4.36Å; P136-L139 HydrophobicContact CB-CD1 4.04Å; P136-L139 HydrophobicContact CB-CG 4.07Å; P136-L139 HydrophobicContact CG-CD1 3.96Å; P136-L139 WeakPolarHBondContact O-CA 3.42Å; P136-L139 WeakPolarHBondContact O-CB 3.12Å; P136-L139 PolarHBondContact O-N 2.89Å
137	Y	91.7	Very high	90.1	Very high	67 Å²	67	41.1 Å²	41.1	26%	0.263	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-61.4	-32.3	-173.3	84.7	-91.6	0	0	0	112.5	E73 W135 L139 D140 F144 W654	E73-Y137 VanDerWaalsContact CD-OH 3.31Å; E73-Y137 HydrophobicContact CG-CE1 4Å; E73-Y137 WeakPolarHBondContact OE1-CE1 3.15Å; E73-Y137 VanDerWaalsContact OE1-CZ 3.29Å; E73-Y137 PolarHBondContact OE1-OH 3.34Å; W135-Y137 PolarHBondContact O-N 3.12Å; Y137-L139 PolarHBondContact O-N 3.36Å; Y137-D140 WeakPolarHBondContact O-CB 3.23Å; Y137-D140 PolarHBondContact O-N 2.75Å; Y137-D140 VanDerWaalsContact O-N 3.13Å; Y137-F144 HydrophobicContact CD2-CE2 4.23Å; Y137-F144 HydrophobicContact CD2-CZ 4.45Å; Y137-F144 HydrophobicContact CE2-CE2 4.4Å; Y137-F144 HydrophobicContact CE2-CZ 4.22Å; Y137-F144 VanDerWaalsContact O-CE2 3.29Å; Y137-F144 WeakPolarHBondContact O-CE2 3.44Å; Y137-W654 AromaticContact CD1-CD2 3.97Å; Y137-W654 HydrophobicContact CD1-CD2 3.97Å; Y137-W654 AromaticContact CD1-CE2 3.85Å; Y137-W654 AromaticContact CD1-CE3 3.92Å; Y137-W654 HydrophobicContact CD1-CE3 3.92Å; Y137-W654 AromaticContact CD1-CH2 3.69Å; Y137-W654 HydrophobicContact CD1-CH2 3.69Å; Y137-W654 AromaticContact CD1-CZ2 3.73Å; Y137-W654 HydrophobicContact CD1-CZ2 3.73Å; Y137-W654 AromaticContact CD1-CZ3 3.78Å; Y137-W654 HydrophobicContact CD1-CZ3 3.78Å; Y137-W654 HydrophobicContact CE1-CH2 4.08Å; Y137-W654 AromaticContact CE1-CZ2 3.77Å; Y137-W654 HydrophobicContact CE1-CZ2 3.77Å
138	F	91.5	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-75.1	-3.8	178	65.1	-88.3	0	0	0	113.2	V60 E73 L76 I77 P136 F144 W654	V60-F138 HydrophobicContact CG2-CB 4.25Å; E73-F138 HydrophobicContact CB-CD1 3.73Å; E73-F138 HydrophobicContact CB-CD2 4.42Å; E73-F138 HydrophobicContact CB-CE1 3.76Å; E73-F138 HydrophobicContact CB-CE2 4.46Å; E73-F138 HydrophobicContact CB-CG 4.07Å; E73-F138 HydrophobicContact CB-CZ 4.15Å; E73-F138 HydrophobicContact CG-CB 4.19Å; E73-F138 HydrophobicContact CG-CD1 3.4Å; E73-F138 HydrophobicContact CG-CE1 3.88Å; E73-F138 HydrophobicContact CG-CG 3.84Å; L76-F138 HydrophobicContact CD2-CE1 3.69Å; L76-F138 HydrophobicContact CD2-CZ 3.94Å; I77-F138 HydrophobicContact CD1-CE2 3.67Å; I77-F138 HydrophobicContact CD1-CZ 3.69Å; I77-F138 HydrophobicContact CG1-CE2 3.58Å; I77-F138 HydrophobicContact CG1-CZ 3.59Å; P136-F138 HydrophobicContact CB-CD1 4.05Å; P136-F138 HydrophobicContact CB-CE1 3.61Å; P136-F138 HydrophobicContact CB-CZ 3.87Å; P136-F138 PolarHBondContact O-N 3.19Å; P136-F138 VanDerWaalsContact O-N 3.16Å; F138-F144 VanDerWaalsContact CA-CE2 3.46Å; F138-F144 HydrophobicContact CB-CE2 4.3Å; F138-F144 WeakPolarHBondContact O-CD2 3.43Å; F138-W654 HydrophobicContact CD1-CH2 4.48Å; F138-W654 HydrophobicContact CE1-CH2 4.31Å
139	L	94	Very high	89.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-104.1	19.2	169	-61	-178	0	0	0	112.1	I92 L95 C117 W135 P136 Y137 C141	I92-L139 HydrophobicContact CG2-CD1 4.05Å; L95-L139 HydrophobicContact CB-CD2 4.37Å; L95-L139 HydrophobicContact CD2-CD2 4.09Å; L95-L139 HydrophobicContact CG-CD2 4Å; C117-L139 PolarHBondContact SG-O 3.03Å; C117-L139 VanDerWaalsContact SG-O 3.37Å; W135-L139 HydrophobicContact CZ2-CB 4.21Å; W135-L139 HydrophobicContact CZ2-CD1 4.26Å; W135-L139 VanDerWaalsContact NE1-CB 3.33Å; W135-L139 PolarHBondContact NE1-O 3.19Å; P136-L139 HydrophobicContact CB-CB 4.36Å; P136-L139 HydrophobicContact CB-CD1 4.04Å; P136-L139 HydrophobicContact CB-CG 4.07Å; P136-L139 HydrophobicContact CG-CD1 3.96Å; P136-L139 WeakPolarHBondContact O-CA 3.42Å; P136-L139 WeakPolarHBondContact O-CB 3.12Å; P136-L139 PolarHBondContact O-N 2.89Å; Y137-L139 PolarHBondContact O-N 3.36Å; L139-C141 PolarHBondContact O-N 2.95Å
140	D	93.4	Very high	89.6	Confident	67 Å²	67	55.7 Å²	55.7	36%	0.358	29%	0.287	S	S	.	.			trans	-67.9	111.8	170.6	-179.5	-19.1	0	0	0	110.1	Y137 D142 R143 F144	Y137-D140 WeakPolarHBondContact O-CB 3.23Å; Y137-D140 PolarHBondContact O-N 2.75Å; Y137-D140 VanDerWaalsContact O-N 3.13Å; D140-D142 PolarHBondContact O-N 3.1Å; D140-D142 PolarHBondContact OD1-N 2.94Å; D140-R143 HydrophobicContact CB-CB 3.98Å; D140-R143 PolarHBondContact O-N 2.88Å; D140-R143 VanDerWaalsContact O-N 3.16Å; D140-R143 PolarHBondContact OD1-N 2.83Å; D140-F144 HydrophobicContact CB-CD2 4.4Å; D140-F144 PolarHBondContact O-N 3.47Å; D140-F144 VanDerWaalsContact O-N 3.13Å
141	C	94.4	Very high	89.8	Confident	15 Å²	15	54.7 Å²	54.7	10%	0.101	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.4	-175.9	-53.3	0	0	0	0	113.2	R114 C117 E118 L139 F145	R114-C141 HydrophobicContact CG-CB 4.24Å; C117-C141 HydrophobicContact CB-CB 3.77Å; C117-C141 WeakPolarHBondContact CB-SG 3.43Å; C117-C141 WeakPolarHBondContact SG-CA 3.29Å; C117-C141 WeakPolarHBondContact SG-CB 3.02Å; C117-C141 CovalentContact SG-SG 2.04Å; C117-C141 PolarHBondContact SG-SG 3.25Å; E118-C141 HydrophobicContact CG-CB 4.07Å; E118-C141 PolarHBondContact N-SG 3.29Å; L139-C141 PolarHBondContact O-N 2.95Å; C141-F145 WeakPolarHBondContact O-CB 3.49Å
142	D	93	Very high	90.2	Very high	109 Å²	109	55.1 Å²	55.1	58%	0.583	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-26.5	178	-77.4	-45.3	0	0	0	112.5	R114 D140	R114-D142 IonicContact CZ-OD1 3.76Å; R114-D142 VanDerWaalsContact CZ-OD1 3.24Å; R114-D142 IonicContact NE-OD1 2.64Å; R114-D142 IonicContact NH1-OD1 3.19Å; R114-D142 PolarHBondContact NH1-OD1 3.23Å; R114-D142 IonicContact NH2-OD1 3.18Å; D140-D142 PolarHBondContact O-N 3.1Å; D140-D142 PolarHBondContact OD1-N 2.94Å
143	R	91.7	Very high	90.6	Very high	146 Å²	146	51 Å²	51	55%	0.551	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-42.5	-173.2	-172.2	171.5	173.4	-175.9	-3.4	113.7	D140	D140-R143 HydrophobicContact CB-CB 3.98Å; D140-R143 PolarHBondContact O-N 2.88Å; D140-R143 VanDerWaalsContact O-N 3.16Å; D140-R143 PolarHBondContact OD1-N 2.83Å
144	F	94.1	Very high	90.8	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.044	27%	0.269	C	S	.	.	S	Bend	trans	-112.7	-11.1	-167.7	-61	-63.1	0	0	0	114.5	I59 V99 Y137 F138 D140	I59-F144 HydrophobicContact CG2-CB 3.93Å; I59-F144 HydrophobicContact CG2-CD1 3.37Å; I59-F144 HydrophobicContact CG2-CE1 4.23Å; I59-F144 HydrophobicContact CG2-CG 4.06Å; V99-F144 HydrophobicContact CG1-CB 4.1Å; V99-F144 HydrophobicContact CG1-CD1 4.44Å; V99-F144 HydrophobicContact CG1-CG 4.17Å; V99-F144 HydrophobicContact CG2-CB 4.34Å; Y137-F144 HydrophobicContact CD2-CE2 4.23Å; Y137-F144 HydrophobicContact CD2-CZ 4.45Å; Y137-F144 HydrophobicContact CE2-CE2 4.4Å; Y137-F144 HydrophobicContact CE2-CZ 4.22Å; Y137-F144 VanDerWaalsContact O-CE2 3.29Å; Y137-F144 WeakPolarHBondContact O-CE2 3.44Å; F138-F144 VanDerWaalsContact CA-CE2 3.46Å; F138-F144 HydrophobicContact CB-CE2 4.3Å; F138-F144 WeakPolarHBondContact O-CD2 3.43Å; D140-F144 HydrophobicContact CB-CD2 4.4Å; D140-F144 PolarHBondContact O-N 3.47Å; D140-F144 VanDerWaalsContact O-N 3.13Å
145	F	95.2	Very high	90.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.26	C	S	.	.			trans	-114.7	151.4	-179.3	-57.1	-104.8	0	0	0	110.6	L95 V99 P112 C113 R114 C117 C141	L95-F145 HydrophobicContact CD1-CE1 3.45Å; L95-F145 VanDerWaalsContact CD1-CE1 3.45Å; L95-F145 HydrophobicContact CD1-CZ 3.7Å; L95-F145 HydrophobicContact CD2-CZ 4.41Å; L95-F145 HydrophobicContact CG-CE1 4.1Å; L95-F145 HydrophobicContact CG-CZ 3.81Å; V99-F145 HydrophobicContact CG2-CE1 4.36Å; V99-F145 HydrophobicContact CG2-CE2 3.85Å; V99-F145 HydrophobicContact CG2-CZ 3.55Å; P112-F145 HydrophobicContact CB-CD1 3.58Å; P112-F145 HydrophobicContact CB-CE1 3.61Å; P112-F145 HydrophobicContact CG-CD1 3.38Å; P112-F145 HydrophobicContact CG-CE1 3.36Å; P112-F145 HydrophobicContact CG-CG 4.13Å; P112-F145 HydrophobicContact CG-CZ 4.13Å; P112-F145 WeakPolarHBondContact O-CA 3.31Å; P112-F145 WeakPolarHBondContact O-CB 3.34Å; C113-F145 WeakPolarHBondContact O-CD1 3.21Å; R114-F145 HydrophobicContact CB-CB 4.04Å; C117-F145 HydrophobicContact CB-CB 4.49Å; C117-F145 HydrophobicContact CB-CD1 3.63Å; C117-F145 HydrophobicContact CB-CD2 3.88Å; C117-F145 HydrophobicContact CB-CE1 3.76Å; C117-F145 HydrophobicContact CB-CE2 3.98Å; C117-F145 HydrophobicContact CB-CG 3.73Å; C117-F145 HydrophobicContact CB-CZ 3.94Å; C117-F145 VanDerWaalsContact SG-CE2 3.58Å; C141-F145 WeakPolarHBondContact O-CB 3.49Å
146	V	93.9	Very high	90.7	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-122.3	161.6	-178.2	-60	0	0	0	0	111.7	R111 P112 R114 E150 C152	R111-V146 HydrophobicContact CB-CG1 4.04Å; R111-V146 HydrophobicContact CB-CG2 3.84Å; R111-V146 VanDerWaalsContact CD-CG1 3.49Å; R111-V146 HydrophobicContact CG-CG1 4.4Å; P112-V146 PolarHBondContact O-N 3.42Å; P112-V146 VanDerWaalsContact O-N 3.1Å; R114-V146 WeakPolarHBondContact CB-O 3.4Å; R114-V146 PolarHBondContact N-O 3.49Å; V146-E150 HydrophobicContact CB-CB 4.09Å; V146-E150 HydrophobicContact CG2-CB 4.12Å; V146-C152 HydrophobicContact CG2-CB 3.7Å
147	S	90.4	Very high	90.3	Very high	37 Å²	37	55.2 Å²	55.2	26%	0.259	28%	0.281	S	S	.	.			trans	-70	157.3	178.3	66.9	0	0	0	0	111.8	Q149 E150	S147-Q149 PolarHBondContact O-N 3.41Å; S147-Q149 VanDerWaalsContact O-N 3.09Å; S147-E150 PolarHBondContact N-OE1 3.49Å; S147-E150 PolarHBondContact O-N 3.29Å; S147-E150 PolarHBondContact OG-OE1 3.34Å
148	D	87.2	Confident	89.3	Confident	108 Å²	108	53.9 Å²	53.9	58%	0.578	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-58.1	-26.5	176.2	-55.4	-49.7	0	0	0	112.3	E150 G151 C152	D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 3.36Å; D148-G151 PolarHBondContact O-N 3.44Å; D148-C152 PolarHBondContact OD1-SG 2.87Å
149	Q	82.4	Confident	88.5	Confident	189 Å²	189	54.7 Å²	54.7	88%	0.883	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21.9	178.5	-60.3	-178.6	1.8	0	0	113.3	S147	S147-Q149 PolarHBondContact O-N 3.41Å; S147-Q149 VanDerWaalsContact O-N 3.09Å
150	E	82.1	Confident	87.1	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-90.5	-4.6	179.9	-69.8	168.4	-102.6	0	0	113.2	V146 S147 D148	V146-E150 HydrophobicContact CB-CB 4.09Å; V146-E150 HydrophobicContact CG2-CB 4.12Å; S147-E150 PolarHBondContact N-OE1 3.49Å; S147-E150 PolarHBondContact O-N 3.29Å; S147-E150 PolarHBondContact OG-OE1 3.34Å; D148-E150 VanDerWaalsContact C-N 3.28Å; D148-E150 PolarHBondContact O-N 3.36Å
151	G	84.7	Confident	85.5	Confident	47 Å²	47	58.1 Å²	58.1	49%	0.485	31%	0.313	S	S	.	.			trans	78.5	87.9	-176	0	0	0	0	0	111.7	D148	D148-G151 PolarHBondContact O-N 3.44Å
152	C	91.7	Very high	83.8	Confident	33 Å²	33	63.6 Å²	63.6	22%	0.223	34%	0.337	C	S	.	.			trans	-118.7	174.4	176.3	63.8	0	0	0	0	111.7	R111 C113 V146 D148	R111-C152 VanDerWaalsContact O-CA 3.29Å; R111-C152 WeakPolarHBondContact O-CA 3.43Å; R111-C152 VanDerWaalsContact O-CB 3.3Å; R111-C152 WeakPolarHBondContact O-CB 3.11Å; C113-C152 WeakPolarHBondContact CA-SG 3.45Å; C113-C152 HydrophobicContact CB-CB 3.9Å; C113-C152 WeakPolarHBondContact CB-SG 3.36Å; C113-C152 WeakPolarHBondContact SG-CB 3.3Å; C113-C152 CovalentContact SG-SG 2.03Å; C113-C152 PolarHBondContact SG-SG 3.04Å; V146-C152 HydrophobicContact CG2-CB 3.7Å; D148-C152 PolarHBondContact OD1-SG 2.87Å
153	Y	92.6	Very high	82.1	Confident	22 Å²	22	63.2 Å²	63.2	9%	0.086	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-123.5	147.6	169.8	70.7	-83.4	0	0	0	110.4	Y51 S98 R103 L110 R111 P112 C113 P155	Y51-Y153 HydrophobicContact CD1-CE2 4.13Å; Y51-Y153 HydrophobicContact CE1-CD2 4.44Å; Y51-Y153 AromaticContact CE1-CE2 3.52Å; Y51-Y153 HydrophobicContact CE1-CE2 3.52Å; Y51-Y153 AromaticContact CE1-CZ 3.94Å; Y51-Y153 PolarHBondContact OH-OH 3.27Å; Y51-Y153 VanDerWaalsContact OH-OH 3.1Å; S98-Y153 PolarHBondContact O-OH 3Å; R103-Y153 HydrophobicContact CB-CD1 4.13Å; R103-Y153 HydrophobicContact CB-CE1 3.65Å; R103-Y153 HydrophobicContact CB-CE2 4.27Å; R103-Y153 PolarHBondContact N-OH 2.84Å; R103-Y153 VanDerWaalsContact N-OH 3.15Å; L110-Y153 HydrophobicContact CB-CD1 4.03Å; L110-Y153 HydrophobicContact CB-CE1 4.2Å; L110-Y153 WeakPolarHBondContact O-CE1 3.49Å; R111-Y153 PolarHBondContact O-N 3.21Å; P112-Y153 CarbonylContact C-O 3.6Å; P112-Y153 WeakPolarHBondContact CA-O 3.22Å; P112-Y153 HydrophobicContact CB-CE1 4.4Å; C113-Y153 PolarHBondContact N-O 3.06Å; C113-Y153 PolarHBondContact SG-N 3.17Å; C113-Y153 PolarHBondContact SG-O 3.23Å; C113-Y153 VanDerWaalsContact SG-O 3.35Å; Y153-P155 HydrophobicContact CE2-CB 4.12Å; Y153-P155 VanDerWaalsContact O-CD 3.31Å; Y153-P155 WeakPolarHBondContact O-CD 3.34Å
154	D	91.1	Very high	80.2	Confident	31 Å²	31	62.9 Å²	62.9	17%	0.166	34%	0.336	C	S	.	.			trans	-85	112.1	174.7	-173.8	-7.2	0	0	0	109.3	A116 L156 E157 K160	A116-D154 WeakPolarHBondContact CB-OD1 3.35Å; D154-L156 PolarHBondContact O-N 3.26Å; D154-L156 PolarHBondContact OD1-N 2.92Å; D154-E157 HydrophobicContact CB-CB 4.31Å; D154-E157 PolarHBondContact O-N 3.42Å; D154-K160 IonicContact OD2-NZ 2.68Å; D154-K160 PolarHBondContact OD2-NZ 3.22Å
155	P	89.3	Confident	78.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.6	179	29.7	-34.5	0	0	0	113.4	M49 L95 P112 A116 Y153	M49-P155 HydrophobicContact CE-CB 4.3Å; L95-P155 HydrophobicContact CD1-CG 4.07Å; P112-P155 HydrophobicContact CB-CG 4.12Å; A116-P155 HydrophobicContact CB-CG 4.5Å; Y153-P155 HydrophobicContact CE2-CB 4.12Å; Y153-P155 VanDerWaalsContact O-CD 3.31Å; Y153-P155 WeakPolarHBondContact O-CD 3.34Å
156	L	89.3	Confident	75.9	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.026	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.9	-177.4	-53.3	179.2	0	0	0	113	M94 D154 G158 L159 K160	M94-L156 HydrophobicContact CB-CD2 3.82Å; M94-L156 HydrophobicContact SD-CD2 4.33Å; D154-L156 PolarHBondContact O-N 3.26Å; D154-L156 PolarHBondContact OD1-N 2.92Å; L156-G158 PolarHBondContact O-N 3.18Å; L156-L159 HydrophobicContact CD2-CD1 4.04Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L156-K160 PolarHBondContact O-N 3.12Å
157	E	82.9	Confident	73.6	Confident	134 Å²	134	77.1 Å²	77.1	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-57.1	-37.3	-176.9	-167.1	174.2	-175.9	0	0	112.5	D154 L159 K160 A161	D154-E157 HydrophobicContact CB-CB 4.31Å; D154-E157 PolarHBondContact O-N 3.42Å; E157-L159 PolarHBondContact O-N 2.04Å; E157-K160 PolarHBondContact O-N 2.72Å; E157-A161 PolarHBondContact O-N 2.51Å
158	G	70.8	Confident	71.6	Confident	39 Å²	39	79.1 Å²	79.1	40%	0.402	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-33.2	177.2	0	0	0	0	0	114.4	L156	L156-G158 PolarHBondContact O-N 3.18Å
159	L	74.8	Confident	69.7	Low	16 Å²	16	81.8 Å²	81.8	8%	0.084	45%	0.445	C	S	.	.	H	α-helix	trans	-75.7	-34.2	179	-71	171.4	0	0	0	112.8	P90 E91 M94 L156 E157 A161 E162 Q163	P90-L159 HydrophobicContact CG-CD1 3.92Å; P90-L159 HydrophobicContact CG-CD2 3.5Å; P90-L159 HydrophobicContact CG-CG 4.31Å; E91-L159 HydrophobicContact CG-CD1 4.17Å; M94-L159 HydrophobicContact CE-CD1 3.53Å; M94-L159 HydrophobicContact CE-CD2 3.49Å; M94-L159 VanDerWaalsContact CE-CD2 3.49Å; M94-L159 HydrophobicContact CE-CG 3.41Å; M94-L159 VanDerWaalsContact CE-CG 3.41Å; M94-L159 HydrophobicContact SD-CD1 3.54Å; M94-L159 VanDerWaalsContact SD-CD1 3.54Å; M94-L159 HydrophobicContact SD-CD2 4.5Å; M94-L159 HydrophobicContact SD-CG 3.77Å; L156-L159 HydrophobicContact CD2-CD1 4.04Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-L159 VanDerWaalsContact O-N 3.11Å; E157-L159 PolarHBondContact O-N 2.04Å; L159-A161 VanDerWaalsContact C-N 3.32Å; L159-E162 PolarHBondContact O-N 3.48Å; L159-Q163 WeakPolarHBondContact O-CB 3.13Å; L159-Q163 WeakPolarHBondContact O-CG 3.23Å; L159-Q163 PolarHBondContact O-N 3.34Å
160	K	65.3	Low	67.9	Low	89 Å²	89	79.5 Å²	79.5	39%	0.387	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-36.9	178.9	-69.7	175.7	-177.8	168.3	0	111.3	D154 L156 E157 Q163 E164	D154-K160 IonicContact OD2-NZ 2.68Å; D154-K160 PolarHBondContact OD2-NZ 3.22Å; L156-K160 PolarHBondContact O-N 3.12Å; E157-K160 PolarHBondContact O-N 2.72Å; K160-Q163 PolarHBondContact O-N 2.87Å; K160-E164 VanDerWaalsContact O-CB 3.32Å; K160-E164 WeakPolarHBondContact O-CB 2.97Å; K160-E164 VanDerWaalsContact O-CG 3.27Å; K160-E164 WeakPolarHBondContact O-CG 2.99Å; K160-E164 PolarHBondContact O-N 2.72Å
161	A	59.5	Low	66.1	Low	51 Å²	51	81 Å²	81	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-63.4	-40.6	175.4	0	0	0	0	0	112.2	E157 L159 D165	E157-A161 PolarHBondContact O-N 2.51Å; L159-A161 VanDerWaalsContact C-N 3.32Å; A161-D165 PolarHBondContact O-N 3.43Å
162	E	57.4	Low	64	Low	130 Å²	130	88.2 Å²	88.2	61%	0.607	47%	0.471	S	S	*	.	H	α-helix	trans	-69.3	-38.9	176.1	-67.9	175.9	166.7	0	0	112.1	L159 E166	L159-E162 PolarHBondContact O-N 3.48Å; E162-E166 PolarHBondContact O-N 2.91Å
163	Q	57.3	Low	61.1	Low	100 Å²	100	90.9 Å²	90.9	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-72	-31.5	176.7	-73.4	176.1	-10.7	0	0	113.4	L159 K160 E166 A167	L159-Q163 WeakPolarHBondContact O-CB 3.13Å; L159-Q163 WeakPolarHBondContact O-CG 3.23Å; L159-Q163 PolarHBondContact O-N 3.34Å; K160-Q163 PolarHBondContact O-N 2.87Å; Q163-E166 PolarHBondContact O-N 3.48Å; Q163-A167 WeakPolarHBondContact O-CB 3.42Å; Q163-A167 PolarHBondContact O-N 2.94Å
164	E	52	Low	58.5	Low	139 Å²	139	95.7 Å²	95.7	65%	0.65	53%	0.53	S	S	*	.	H	α-helix	trans	-71.9	-32.1	175.8	-77.6	176.9	177.4	0	0	112	K160 A168	K160-E164 VanDerWaalsContact O-CB 3.32Å; K160-E164 WeakPolarHBondContact O-CB 2.97Å; K160-E164 VanDerWaalsContact O-CG 3.27Å; K160-E164 WeakPolarHBondContact O-CG 2.99Å; K160-E164 PolarHBondContact O-N 2.72Å; E164-A168 PolarHBondContact O-N 3.19Å
165	D	50.3	Low	55.7	Low	122 Å²	122	103.3 Å²	103.3	65%	0.652	56%	0.564	S	S	*	*	H	α-helix	trans	-71.3	-31.9	172	-82.8	-22.1	0	0	0	112.6	A161	A161-D165 PolarHBondContact O-N 3.43Å
166	E	48.5	Very low	53.2	Low	138 Å²	138	108.8 Å²	108.8	65%	0.645	60%	0.6	S	S	*	*	H	α-helix	trans	-79.1	-35.4	173.4	-72.2	-171.2	158.9	0	0	113.2	E162 Q163 A168 Q169	E162-E166 PolarHBondContact O-N 2.91Å; Q163-E166 PolarHBondContact O-N 3.48Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.16Å; E166-Q169 PolarHBondContact O-N 3.38Å
167	A	45.2	Very low	50.9	Low	64 Å²	64	117.6 Å²	117.6	53%	0.529	64%	0.641	S	S	.	*	H	α-helix	trans	-69.9	-27.6	179	0	0	0	0	0	112.9	Q163 Q169	Q163-A167 WeakPolarHBondContact O-CB 3.42Å; Q163-A167 PolarHBondContact O-N 2.94Å; A167-Q169 PolarHBondContact O-N 2.87Å
168	A	49.3	Very low	49.1	Very low	80 Å²	80	120.6 Å²	120.6	66%	0.661	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-15	175.4	0	0	0	0	0	113.8	E164 E166	E164-A168 PolarHBondContact O-N 3.19Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.16Å
169	Q	48.2	Very low	47.9	Very low	163 Å²	163	123 Å²	123	76%	0.762	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-7.3	-178.5	-63.5	-175.7	13.3	0	0	114.2	E166 A167	E166-Q169 PolarHBondContact O-N 3.38Å; A167-Q169 PolarHBondContact O-N 2.87Å
170	N	43.2	Very low	47	Very low	142 Å²	142	124.1 Å²	124.1	76%	0.759	68%	0.683	S	S	*	*			trans	-121.4	47.4	-171.8	-78.9	-42.9	0	0	0	114.4
171	L	45.1	Very low	46.9	Very low	156 Å²	156	122.9 Å²	122.9	82%	0.817	69%	0.689	S	S	*	*			trans	-108.9	87.3	164.8	-82.9	158.3	0	0	0	109.7
172	E	39.6	Very low	47.7	Very low	198 Å²	198	125.9 Å²	125.9	93%	0.925	70%	0.704	S	S	*	*			trans	153.5	97.3	142.8	-87.3	171.6	162.9	0	0	111.9
173	A	31.9	Very low	49.2	Very low	90 Å²	90	121.5 Å²	121.5	74%	0.744	69%	0.685	S	S	*	*			trans	-164	140.4	143.6	0	0	0	0	0	110.5
174	P	38.5	Very low	50.7	Low	122 Å²	122	123 Å²	123	79%	0.792	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.4	168.7	-1.1	16	0	0	0	109.8	P176	P174-P176 WeakPolarHBondContact O-CD 3.38Å
175	Q	31.5	Very low	52.6	Low	191 Å²	191	118.8 Å²	118.8	89%	0.893	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-49.9	122.5	177.7	-71.1	-174.8	-16.8	0	0	111.6
176	P	37.4	Very low	54.6	Low	116 Å²	116	115.2 Å²	115.2	75%	0.753	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-67.6	144.3	159.3	-8.2	24.7	0	0	0	108.3	P174 Q178	P174-P176 WeakPolarHBondContact O-CD 3.38Å; P176-Q178 PolarHBondContact O-N 3.09Å
177	Q	40.7	Very low	56.7	Low	189 Å²	189	110 Å²	110	88%	0.883	63%	0.629	S	S	*	*			trans	-40.1	132.2	162.5	-71.8	161.8	-35.6	0	0	109.1	A179	Q177-A179 PolarHBondContact O-N 3.2Å
178	Q	43.9	Very low	59	Low	197 Å²	197	107.4 Å²	107.4	92%	0.921	61%	0.606	S	S	*	*			trans	-45.2	99.6	-179.7	-81.4	170.3	-27.7	0	0	109.8	P176 A180	P176-Q178 PolarHBondContact O-N 3.09Å; Q178-A180 PolarHBondContact O-N 3.29Å
179	A	47.4	Very low	61	Low	89 Å²	89	105 Å²	105	74%	0.736	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.8	133.9	165.4	0	0	0	0	0	106.1	Q177 A181	Q177-A179 PolarHBondContact O-N 3.2Å; A179-A181 PolarHBondContact O-N 2.93Å; A179-A181 VanDerWaalsContact O-N 3.15Å
180	A	55.4	Low	63	Low	41 Å²	41	97.7 Å²	97.7	34%	0.339	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-49	126.6	172	0	0	0	0	0	108	Q178 A267	Q178-A180 PolarHBondContact O-N 3.29Å; A180-A267 HydrophobicContact CB-CB 4.33Å
181	A	63.6	Low	65.2	Low	63 Å²	63	94.3 Å²	94.3	52%	0.521	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-55.2	137.4	176.9	0	0	0	0	0	108.5	A179 I183	A179-A181 PolarHBondContact O-N 2.93Å; A179-A181 VanDerWaalsContact O-N 3.15Å; A181-I183 PolarHBondContact O-N 3.39Å
182	P	76.3	Confident	67.6	Low	113 Å²	113	91.4 Å²	91.4	73%	0.734	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-58.9	138.7	-179.5	24.6	-33.3	0	0	0	110.2	Q184	P182-Q184 PolarHBondContact O-N 3.21Å
183	I	88.3	Confident	70.2	Confident	39 Å²	39	82.5 Å²	82.5	20%	0.2	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-59.5	124.6	176.7	-60.3	175.7	0	0	0	108.4	A181 F185 Y260 Q263	A181-I183 PolarHBondContact O-N 3.39Å; I183-F185 HydrophobicContact CB-CE2 4.27Å; I183-F185 HydrophobicContact CB-CZ 4.16Å; I183-F185 HydrophobicContact CG2-CE1 4.05Å; I183-F185 HydrophobicContact CG2-CE2 4.24Å; I183-F185 HydrophobicContact CG2-CZ 3.9Å; I183-F185 WeakPolarHBondContact O-CD2 3.23Å; I183-F185 WeakPolarHBondContact O-CE2 3.32Å; I183-Y260 HydrophobicContact CG2-CD1 3.51Å; I183-Y260 HydrophobicContact CG2-CE1 4.16Å; I183-Y260 HydrophobicContact CG2-CG 4.04Å; I183-Q263 HydrophobicContact CD1-CB 4.04Å; I183-Q263 HydrophobicContact CG1-CB 4.02Å
184	Q	89.3	Confident	73.2	Confident	132 Å²	132	79.7 Å²	79.7	62%	0.617	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-89.1	123.3	175.5	-65.3	-175.5	-7.7	0	0	109.5	P182 T186 H188 Y260	P182-Q184 PolarHBondContact O-N 3.21Å; Q184-T186 PolarHBondContact O-N 3.44Å; Q184-H188 PolarHBondContact O-CE1 2.86Å; Q184-Y260 VanDerWaalsContact O-CE1 3.26Å; Q184-Y260 WeakPolarHBondContact O-CE1 3.39Å
185	F	91.6	Very high	76	Confident	49 Å²	49	78.6 Å²	78.6	22%	0.215	44%	0.439	C	S	.	.			trans	-95.5	74.6	-179.3	-62.5	-82.5	0	0	0	110.2	I183 Y260 L491 F492 W495	I183-F185 HydrophobicContact CB-CE2 4.27Å; I183-F185 HydrophobicContact CB-CZ 4.16Å; I183-F185 HydrophobicContact CG2-CE1 4.05Å; I183-F185 HydrophobicContact CG2-CE2 4.24Å; I183-F185 HydrophobicContact CG2-CZ 3.9Å; I183-F185 WeakPolarHBondContact O-CD2 3.23Å; I183-F185 WeakPolarHBondContact O-CE2 3.32Å; F185-Y260 WeakPolarHBondContact CA-OH 3.45Å; F185-Y260 AromaticContact CD1-CD2 3.87Å; F185-Y260 HydrophobicContact CD1-CD2 3.87Å; F185-Y260 HydrophobicContact CD1-CE1 4.3Å; F185-Y260 AromaticContact CD1-CE2 3.63Å; F185-Y260 HydrophobicContact CD1-CE2 3.63Å; F185-Y260 HydrophobicContact CD1-CG 4.33Å; F185-Y260 AromaticContact CD1-CZ 3.86Å; F185-Y260 AromaticContact CE1-CD2 3.89Å; F185-Y260 HydrophobicContact CE1-CD2 3.89Å; F185-Y260 HydrophobicContact CE1-CE2 4.15Å; F185-Y260 HydrophobicContact CE1-CG 4.14Å; F185-L491 HydrophobicContact CB-CB 4.07Å; F185-F492 HydrophobicContact CB-CB 4.27Å; F185-F492 HydrophobicContact CD1-CB 4.32Å; F185-F492 HydrophobicContact CD1-CD2 4.46Å; F185-F492 HydrophobicContact CD2-CB 4.18Å; F185-F492 AromaticContact CD2-CD2 3.77Å; F185-F492 HydrophobicContact CD2-CD2 3.77Å; F185-F492 HydrophobicContact CD2-CG 4.43Å; F185-F492 HydrophobicContact CE1-CD2 4.23Å; F185-F492 AromaticContact CE2-CD2 3.49Å; F185-F492 HydrophobicContact CE2-CD2 3.49Å; F185-F492 VanDerWaalsContact CE2-CD2 3.49Å; F185-F492 HydrophobicContact CE2-CE2 4.1Å; F185-F492 HydrophobicContact CG-CB 3.99Å; F185-F492 HydrophobicContact CG-CD2 4.26Å; F185-F492 AromaticContact CZ-CD2 3.74Å; F185-F492 HydrophobicContact CZ-CD2 3.74Å; F185-F492 HydrophobicContact CZ-CE2 4.32Å; F185-W495 HydrophobicContact CD1-CB 4.23Å; F185-W495 HydrophobicContact CE1-CB 3.64Å; F185-W495 AromaticContact CE1-CD1 3.68Å; F185-W495 HydrophobicContact CE1-CD2 4.47Å; F185-W495 AromaticContact CE1-CG 3.62Å; F185-W495 HydrophobicContact CE1-CG 3.62Å; F185-W495 AromaticContact CZ-CD1 3.81Å; F185-W495 HydrophobicContact CZ-CG 4.22Å
186	T	92.3	Very high	79.1	Confident	47 Å²	47	71 Å²	71	29%	0.288	40%	0.404	S	S	.	.	S	Bend	trans	-136.5	165.9	-179.4	54.2	0	0	0	0	109.8	Q184 H188 Q256 Y260	Q184-T186 PolarHBondContact O-N 3.44Å; T186-H188 PolarHBondContact O-CE1 2.94Å; T186-H188 PolarHBondContact O-N 3.28Å; T186-H188 PolarHBondContact O-ND1 2.94Å; T186-Q256 PolarHBondContact O-OE1 2.84Å; T186-Y260 PolarHBondContact N-OH 3.36Å; T186-Y260 PolarHBondContact O-OH 3.44Å
187	Y	92.8	Very high	82	Confident	30 Å²	30	65.6 Å²	65.6	12%	0.118	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-75.8	127.7	169.9	-74.6	-67.5	0	0	0	110.8	P252 Q256 F485 P486 E488 L491	Y187-P252 HydrophobicContact CD1-CB 4.17Å; Y187-P252 HydrophobicContact CD1-CG 4.22Å; Y187-P252 HydrophobicContact CE1-CB 3.78Å; Y187-P252 HydrophobicContact CE1-CG 3.48Å; Y187-P252 VanDerWaalsContact CE1-CG 3.48Å; Y187-Q256 HydrophobicContact CD1-CG 3.72Å; Y187-Q256 HydrophobicContact CE1-CG 3.88Å; Y187-F485 HydrophobicContact CD1-CE1 4.15Å; Y187-F485 HydrophobicContact CD1-CZ 4.29Å; Y187-F485 AromaticContact CD2-CE1 3.66Å; Y187-F485 HydrophobicContact CD2-CE1 3.66Å; Y187-F485 HydrophobicContact CD2-CZ 4.36Å; Y187-F485 HydrophobicContact CE1-CD1 4.38Å; Y187-F485 AromaticContact CE1-CE1 3.91Å; Y187-F485 HydrophobicContact CE1-CE1 3.91Å; Y187-F485 HydrophobicContact CE1-CZ 4.32Å; Y187-F485 AromaticContact CE2-CD1 3.83Å; Y187-F485 HydrophobicContact CE2-CD1 3.83Å; Y187-F485 AromaticContact CE2-CE1 3.37Å; Y187-F485 HydrophobicContact CE2-CE1 3.37Å; Y187-F485 HydrophobicContact CE2-CZ 4.37Å; Y187-F485 HydrophobicContact CG-CE1 4.04Å; Y187-F485 HydrophobicContact CG-CZ 4.32Å; Y187-F485 AromaticContact CZ-CD1 3.72Å; Y187-F485 AromaticContact CZ-CE1 3.49Å; Y187-F485 VanDerWaalsContact CZ-CE1 3.49Å; Y187-P486 VanDerWaalsContact CE2-O 3.22Å; Y187-P486 WeakPolarHBondContact CE2-O 3.41Å; Y187-P486 VanDerWaalsContact CZ-O 3.31Å; Y187-P486 VanDerWaalsContact OH-CD 3.29Å; Y187-P486 WeakPolarHBondContact OH-CD 3.28Å; Y187-P486 WeakPolarHBondContact OH-CG 3.49Å; Y187-P486 PolarHBondContact OH-O 3.4Å; Y187-E488 HydrophobicContact CD2-CG 3.51Å; Y187-E488 HydrophobicContact CE2-CG 3.94Å; Y187-E488 PolarHBondContact N-OE1 3.24Å; Y187-L491 HydrophobicContact CD2-CD1 4.3Å; Y187-L491 HydrophobicContact CE1-CD2 4.1Å; Y187-L491 HydrophobicContact CE2-CD1 4.21Å; Y187-L491 HydrophobicContact CE2-CD2 4.5Å; Y187-L491 HydrophobicContact CG-CD1 4.49Å
188	H	93.4	Very high	84.7	Confident	9 Å²	9	60.6 Å²	60.6	4%	0.042	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-103	130.2	178.3	-59.6	91.2	0	0	0	109.5	Q184 T186 Q192 M193 I196 Q256 L259 Y296	Q184-H188 PolarHBondContact O-CE1 2.86Å; T186-H188 PolarHBondContact O-CE1 2.94Å; T186-H188 PolarHBondContact O-N 3.28Å; T186-H188 PolarHBondContact O-ND1 2.94Å; H188-Q192 HydrophobicContact CB-CB 3.93Å; H188-M193 HydrophobicContact CB-CG 3.65Å; H188-I196 HydrophobicContact CB-CD1 4.44Å; H188-I196 WeakPolarHBondContact CD2-CD1 3.4Å; H188-I196 WeakPolarHBondContact NE2-CD1 2.93Å; H188-Q256 PolarHBondContact ND1-OE1 3.36Å; H188-L259 HydrophobicContact CB-CD2 4.2Å; H188-Y296 WeakPolarHBondContact O-CE1 3.39Å; H188-Y296 VanDerWaalsContact O-CZ 3.28Å; H188-Y296 PolarHBondContact O-OH 3.21Å
189	S	91.4	Very high	87.2	Confident	29 Å²	29	57.3 Å²	57.3	20%	0.203	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-60.8	166.7	169.7	73.6	0	0	0	0	111.2	S191 Q192 M193	S189-S191 PolarHBondContact O-N 3.13Å; S189-S191 PolarHBondContact OG-OG 3.1Å; S189-Q192 PolarHBondContact O-N 3.46Å; S189-Q192 VanDerWaalsContact O-N 3.13Å; S189-Q192 WeakPolarHBondContact OG-CG 3.35Å; S189-Q192 PolarHBondContact OG-N 3.42Å; S189-Q192 PolarHBondContact OG-OE1 3.06Å; S189-M193 WeakPolarHBondContact O-CG 3.3Å; S189-M193 PolarHBondContact O-N 3.25Å
190	S	89.1	Confident	89.6	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-37.1	177.6	-59.4	0	0	0	0	112.8	I194 E297	S190-I194 WeakPolarHBondContact O-CG1 3.43Å; S190-I194 PolarHBondContact O-N 3.46Å; S190-E297 WeakPolarHBondContact CB-OE1 3.13Å; S190-E297 PolarHBondContact N-OE1 3.02Å; S190-E297 PolarHBondContact OG-OE1 2.97Å
191	S	90.8	Very high	91.6	Very high	71 Å²	71	53.4 Å²	53.4	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-44.4	176.1	55.3	0	0	0	0	111.9	S189 M193 I194 D195	S189-S191 PolarHBondContact O-N 3.13Å; S189-S191 PolarHBondContact OG-OG 3.1Å; S191-M193 VanDerWaalsContact C-N 3.34Å; S191-M193 PolarHBondContact O-N 3.29Å; S191-I194 PolarHBondContact O-N 2.94Å; S191-D195 PolarHBondContact O-N 2.81Å
192	Q	94.1	Very high	93.2	Very high	96 Å²	96	56.5 Å²	56.5	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-40.7	177.2	-70.7	171.7	-37.2	0	0	111.9	H188 S189 I194 D195 I196	H188-Q192 HydrophobicContact CB-CB 3.93Å; S189-Q192 PolarHBondContact O-N 3.46Å; S189-Q192 VanDerWaalsContact O-N 3.13Å; S189-Q192 WeakPolarHBondContact OG-CG 3.35Å; S189-Q192 PolarHBondContact OG-N 3.42Å; S189-Q192 PolarHBondContact OG-OE1 3.06Å; Q192-I194 VanDerWaalsContact C-N 3.34Å; Q192-I194 PolarHBondContact O-N 3.37Å; Q192-D195 PolarHBondContact O-N 3.26Å; Q192-I196 WeakPolarHBondContact O-CB 3.23Å; Q192-I196 WeakPolarHBondContact O-CD1 3.42Å; Q192-I196 VanDerWaalsContact O-CG1 3.26Å; Q192-I196 WeakPolarHBondContact O-CG1 3.36Å; Q192-I196 PolarHBondContact O-N 2.68Å
193	M	95.1	Very high	94.1	Very high	11 Å²	11	55 Å²	55	5%	0.054	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-45.6	174.7	-72.3	-168.7	-75.7	0	0	111.3	H188 S189 S191 I196 L197 L259 Y296	H188-M193 HydrophobicContact CB-CG 3.65Å; S189-M193 WeakPolarHBondContact O-CG 3.3Å; S189-M193 PolarHBondContact O-N 3.25Å; S191-M193 VanDerWaalsContact C-N 3.34Å; S191-M193 PolarHBondContact O-N 3.29Å; M193-I196 PolarHBondContact O-N 3.15Å; M193-L197 WeakPolarHBondContact O-CG 3.43Å; M193-L197 PolarHBondContact O-N 3.1Å; M193-L259 HydrophobicContact CG-CD2 4.09Å; M193-Y296 HydrophobicContact CE-CD1 3.76Å; M193-Y296 HydrophobicContact CE-CE1 3.61Å
194	I	95.4	Very high	94.4	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.159	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-46.2	176.2	-74	169.2	0	0	0	111.2	S190 S191 Q192 I196 L197 K198 E221 L223	S190-I194 WeakPolarHBondContact O-CG1 3.43Å; S190-I194 PolarHBondContact O-N 3.46Å; S191-I194 PolarHBondContact O-N 2.94Å; Q192-I194 VanDerWaalsContact C-N 3.34Å; Q192-I194 PolarHBondContact O-N 3.37Å; I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 3.47Å; I194-L197 PolarHBondContact O-N 3.47Å; I194-K198 HydrophobicContact CG2-CD 4.06Å; I194-K198 WeakPolarHBondContact O-CG 3.43Å; I194-K198 PolarHBondContact O-N 2.89Å; I194-E221 HydrophobicContact CD1-CB 4.25Å; I194-L223 HydrophobicContact CB-CD2 4.19Å; I194-L223 HydrophobicContact CG1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CD2 4.01Å; I194-L223 HydrophobicContact CG2-CD2 3.93Å
195	D	96.3	Very high	94.7	Very high	99 Å²	99	50.7 Å²	50.7	53%	0.529	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-39.2	-179.2	-68.7	-21.7	0	0	0	111.6	S191 Q192 K198 K199	S191-D195 PolarHBondContact O-N 2.81Å; Q192-D195 PolarHBondContact O-N 3.26Å; D195-K198 PolarHBondContact O-N 3.19Å; D195-K199 VanDerWaalsContact O-CB 3.23Å; D195-K199 WeakPolarHBondContact O-CB 3Å; D195-K199 PolarHBondContact O-N 3.15Å
196	I	97.1	Very high	95	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-64.9	-43.4	175.8	-71.3	163.7	0	0	0	111.1	H188 Q192 M193 I194 K199 T200 L259 Q263	H188-I196 HydrophobicContact CB-CD1 4.44Å; H188-I196 WeakPolarHBondContact CD2-CD1 3.4Å; H188-I196 WeakPolarHBondContact NE2-CD1 2.93Å; Q192-I196 WeakPolarHBondContact O-CB 3.23Å; Q192-I196 WeakPolarHBondContact O-CD1 3.42Å; Q192-I196 VanDerWaalsContact O-CG1 3.26Å; Q192-I196 WeakPolarHBondContact O-CG1 3.36Å; Q192-I196 PolarHBondContact O-N 2.68Å; M193-I196 PolarHBondContact O-N 3.15Å; I194-I196 VanDerWaalsContact C-N 3.33Å; I194-I196 PolarHBondContact O-N 3.47Å; I196-K199 PolarHBondContact O-N 3.15Å; I196-T200 WeakPolarHBondContact O-CB 3.39Å; I196-T200 PolarHBondContact O-N 3.45Å; I196-T200 PolarHBondContact O-OG1 2.99Å; I196-L259 HydrophobicContact CB-CD1 4.07Å; I196-L259 HydrophobicContact CB-CD2 4.38Å; I196-L259 HydrophobicContact CB-CG 4.45Å; I196-L259 HydrophobicContact CD1-CD2 3.78Å; I196-L259 HydrophobicContact CG2-CD1 3.69Å; I196-L259 HydrophobicContact CG2-CD2 4.13Å; I196-L259 HydrophobicContact CG2-CG 3.81Å; I196-Q263 HydrophobicContact CG2-CG 4.09Å
197	L	98.1	Very high	95.2	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-45.6	176.9	-69.9	-176.7	0	0	0	111.7	M193 I194 T200 E201 T210 L223 I225 L259 A262 P289	M193-L197 WeakPolarHBondContact O-CG 3.43Å; M193-L197 PolarHBondContact O-N 3.1Å; I194-L197 PolarHBondContact O-N 3.47Å; L197-T200 WeakPolarHBondContact O-CB 3.48Å; L197-T200 PolarHBondContact O-N 2.8Å; L197-E201 PolarHBondContact O-N 3.01Å; L197-T210 HydrophobicContact CB-CG2 4.11Å; L197-L223 HydrophobicContact CB-CD2 4.08Å; L197-L223 HydrophobicContact CD1-CB 4.32Å; L197-L223 HydrophobicContact CD1-CD2 3.97Å; L197-L223 HydrophobicContact CD1-CG 4.17Å; L197-I225 HydrophobicContact CD2-CB 4.03Å; L197-I225 HydrophobicContact CD2-CD1 4.43Å; L197-I225 HydrophobicContact CD2-CG2 3.64Å; L197-L259 HydrophobicContact CD2-CD1 3.73Å; L197-L259 HydrophobicContact CG-CD1 3.93Å; L197-A262 HydrophobicContact CD2-CB 4.2Å; L197-P289 HydrophobicContact CD1-CG 3.99Å; L197-P289 HydrophobicContact CD2-CG 4.21Å
198	K	97.3	Very high	95.5	Very high	83 Å²	83	52 Å²	52	36%	0.361	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177.3	-72.9	177.7	178.2	171.2	0	112.2	I194 D195 T200 E201 D202	I194-K198 HydrophobicContact CG2-CD 4.06Å; I194-K198 WeakPolarHBondContact O-CG 3.43Å; I194-K198 PolarHBondContact O-N 2.89Å; D195-K198 PolarHBondContact O-N 3.19Å; K198-T200 VanDerWaalsContact C-N 3.28Å; K198-T200 PolarHBondContact O-N 3.2Å; K198-E201 WeakPolarHBondContact O-CB 3.44Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-D202 PolarHBondContact O-N 3.35Å
199	K	96.9	Very high	95.7	Very high	129 Å²	129	56.8 Å²	56.8	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-62.9	-36.5	174.5	-175.8	-179.9	177.8	-175.2	0	112.1	D195 I196 D202 Q203	D195-K199 VanDerWaalsContact O-CB 3.23Å; D195-K199 WeakPolarHBondContact O-CB 3Å; D195-K199 PolarHBondContact O-N 3.15Å; I196-K199 PolarHBondContact O-N 3.15Å; K199-D202 PolarHBondContact O-N 2.92Å; K199-Q203 WeakPolarHBondContact O-CB 3.36Å; K199-Q203 PolarHBondContact O-N 3.35Å
200	T	97.3	Very high	96	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-45.4	175	-56.2	0	0	0	0	110.2	I196 L197 K198 D202 Q203 C204 I225 F227 C266	I196-T200 WeakPolarHBondContact O-CB 3.39Å; I196-T200 PolarHBondContact O-N 3.45Å; I196-T200 PolarHBondContact O-OG1 2.99Å; L197-T200 WeakPolarHBondContact O-CB 3.48Å; L197-T200 PolarHBondContact O-N 2.8Å; K198-T200 VanDerWaalsContact C-N 3.28Å; K198-T200 PolarHBondContact O-N 3.2Å; T200-D202 PolarHBondContact O-N 3.33Å; T200-Q203 PolarHBondContact O-N 3.15Å; T200-C204 PolarHBondContact O-N 3.16Å; T200-C204 VanDerWaalsContact O-N 3.1Å; T200-C204 PolarHBondContact O-SG 3.49Å; T200-I225 HydrophobicContact CG2-CD1 3.86Å; T200-F227 HydrophobicContact CG2-CZ 3.96Å; T200-C266 HydrophobicContact CG2-CB 3.76Å
201	E	97.2	Very high	96.5	Very high	43 Å²	43	58.3 Å²	58.3	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-47.2	172.3	171.5	179.6	-153.3	0	0	112.1	L197 K198 Q203 C204 S205 S208 R209 T210	L197-E201 PolarHBondContact O-N 3.01Å; K198-E201 WeakPolarHBondContact O-CB 3.44Å; K198-E201 PolarHBondContact O-N 3.18Å; E201-Q203 PolarHBondContact O-N 3.43Å; E201-C204 CarbonylContact O-C 3.56Å; E201-C204 VanDerWaalsContact O-C 3.31Å; E201-C204 PolarHBondContact O-N 3.44Å; E201-S205 WeakPolarHBondContact O-CA 3.29Å; E201-S205 WeakPolarHBondContact O-CB 3.43Å; E201-S205 PolarHBondContact O-N 3.37Å; E201-S208 WeakPolarHBondContact CA-OG 3.48Å; E201-R209 VanDerWaalsContact OE1-CA 3.3Å; E201-R209 WeakPolarHBondContact OE1-CA 3.3Å; E201-T210 HydrophobicContact CB-CG2 4.05Å; E201-T210 PolarHBondContact OE1-N 3.48Å; E201-T210 VanDerWaalsContact OE2-CB 3.23Å; E201-T210 WeakPolarHBondContact OE2-CB 3.42Å; E201-T210 VanDerWaalsContact OE2-CG2 3.28Å; E201-T210 WeakPolarHBondContact OE2-CG2 3.49Å; E201-T210 PolarHBondContact OE2-N 2.74Å; E201-T210 PolarHBondContact OE2-OG1 3.07Å
202	D	96.8	Very high	96.8	Very high	128 Å²	128	57.4 Å²	57.4	68%	0.684	29%	0.289	S	S	*	.	H	α-helix	trans	-58.9	-36.8	178.4	-70.7	-26.4	0	0	0	111.9	K198 K199 T200	K198-D202 PolarHBondContact O-N 3.35Å; K199-D202 PolarHBondContact O-N 2.92Å; T200-D202 PolarHBondContact O-N 3.33Å
203	Q	95.7	Very high	96.9	Very high	82 Å²	82	54 Å²	54	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-72.9	-35	-179.5	-175.3	176.9	-14.4	0	0	113.3	K199 T200 E201 L270	K199-Q203 WeakPolarHBondContact O-CB 3.36Å; K199-Q203 PolarHBondContact O-N 3.35Å; T200-Q203 PolarHBondContact O-N 3.15Å; E201-Q203 PolarHBondContact O-N 3.43Å; Q203-L270 HydrophobicContact CG-CD1 3.95Å
204	C	95.1	Very high	96.9	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.034	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	51.3	-179.4	46.7	0	0	0	0	111.9	T200 E201 D206 I207 S208 C266	T200-C204 PolarHBondContact O-N 3.16Å; T200-C204 VanDerWaalsContact O-N 3.1Å; T200-C204 PolarHBondContact O-SG 3.49Å; E201-C204 CarbonylContact O-C 3.56Å; E201-C204 VanDerWaalsContact O-C 3.31Å; E201-C204 PolarHBondContact O-N 3.44Å; C204-D206 PolarHBondContact O-N 3.08Å; C204-I207 HydrophobicContact CB-CD1 4.1Å; C204-I207 HydrophobicContact CB-CG1 3.73Å; C204-I207 CarbonylContact O-C 3.37Å; C204-I207 WeakPolarHBondContact O-CG1 3.4Å; C204-I207 PolarHBondContact O-N 3.41Å; C204-S208 PolarHBondContact O-N 3.21Å; C204-S208 PolarHBondContact O-OG 3.26Å; C204-S208 PolarHBondContact SG-OG 2.77Å; C204-C266 HydrophobicContact CB-CB 4.2Å; C204-C266 WeakPolarHBondContact CB-SG 3.47Å; C204-C266 WeakPolarHBondContact SG-CB 3.16Å; C204-C266 CovalentContact SG-SG 2.04Å; C204-C266 PolarHBondContact SG-SG 2.83Å
205	S	96.1	Very high	96.8	Very high	74 Å²	74	59.3 Å²	59.3	52%	0.517	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.1	-176.6	50.3	0	0	0	0	113.9	E201 I207	E201-S205 WeakPolarHBondContact O-CA 3.29Å; E201-S205 WeakPolarHBondContact O-CB 3.43Å; E201-S205 PolarHBondContact O-N 3.37Å; S205-I207 PolarHBondContact O-N 3.33Å
206	D	96.1	Very high	96.7	Very high	143 Å²	143	54.9 Å²	54.9	77%	0.765	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.2	174.7	-67.9	-33.8	0	0	0	112.9	C204	C204-D206 PolarHBondContact O-N 3.08Å
207	I	97.8	Very high	96.4	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	2.7	-172.8	61.1	154.5	0	0	0	113.9	C204 S205 F227 S228 Y269 I280	C204-I207 HydrophobicContact CB-CD1 4.1Å; C204-I207 HydrophobicContact CB-CG1 3.73Å; C204-I207 CarbonylContact O-C 3.37Å; C204-I207 WeakPolarHBondContact O-CG1 3.4Å; C204-I207 PolarHBondContact O-N 3.41Å; S205-I207 PolarHBondContact O-N 3.33Å; I207-F227 HydrophobicContact CD1-CD1 4.28Å; I207-F227 CarbonylContact O-C 3.6Å; I207-F227 WeakPolarHBondContact O-CA 3.26Å; I207-S228 CarbonylContact C-O 3.45Å; I207-S228 WeakPolarHBondContact CA-O 3.48Å; I207-S228 PolarHBondContact O-N 3.41Å; I207-S228 VanDerWaalsContact O-O 3.12Å; I207-Y269 HydrophobicContact CD1-CD1 3.52Å; I207-Y269 HydrophobicContact CD1-CD2 3.81Å; I207-Y269 HydrophobicContact CD1-CE1 4.04Å; I207-Y269 HydrophobicContact CD1-CE2 4.26Å; I207-Y269 HydrophobicContact CD1-CG 3.4Å; I207-Y269 VanDerWaalsContact CD1-CG 3.4Å; I207-Y269 HydrophobicContact CG1-CD1 4.38Å; I207-Y269 HydrophobicContact CG2-CD1 4.36Å; I207-Y269 HydrophobicContact CG2-CE1 3.71Å; I207-Y269 HydrophobicContact CG2-CE2 4.24Å; I207-I280 HydrophobicContact CB-CG2 4.18Å; I207-I280 HydrophobicContact CD1-CD1 3.94Å; I207-I280 HydrophobicContact CD1-CG2 4.31Å
208	S	98.3	Very high	96.1	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.2	-179.1	67.2	0	0	0	0	112.8	E201 C204 E226	E201-S208 WeakPolarHBondContact CA-OG 3.48Å; C204-S208 PolarHBondContact O-N 3.21Å; C204-S208 PolarHBondContact O-OG 3.26Å; C204-S208 PolarHBondContact SG-OG 2.77Å; S208-E226 CarbonylContact C-O 3.5Å; S208-E226 WeakPolarHBondContact CA-O 3.42Å; S208-E226 VanDerWaalsContact CB-O 3.3Å; S208-E226 WeakPolarHBondContact CB-O 3.12Å
209	R	98.3	Very high	95.7	Very high	111 Å²	111	58.7 Å²	58.7	42%	0.419	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	142	178	175	174.3	174.6	-131.9	6.1	110.9	E201 I225 E226 P231 G232	E201-R209 VanDerWaalsContact OE1-CA 3.3Å; E201-R209 WeakPolarHBondContact OE1-CA 3.3Å; R209-I225 WeakPolarHBondContact O-CA 3.47Å; R209-E226 HydrophobicContact CB-CG 3.82Å; R209-E226 WeakPolarHBondContact CB-OE1 3.48Å; R209-E226 WeakPolarHBondContact CD-OE1 3.46Å; R209-E226 PolarHBondContact N-O 3.08Å; R209-E226 IonicContact NH1-OE1 2.94Å; R209-E226 WeakPolarHBondContact O-CG 3.25Å; R209-E226 PolarHBondContact O-N 3.47Å; R209-P231 HydrophobicContact CB-CB 3.75Å; R209-G232 VanDerWaalsContact NH1-CA 3.28Å
210	T	98.5	Very high	95.6	Very high	23 Å²	23	55.9 Å²	55.9	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.4	170.4	67	0	0	0	0	111.9	L197 E201 L223 V224 I225	L197-T210 HydrophobicContact CB-CG2 4.11Å; E201-T210 HydrophobicContact CB-CG2 4.05Å; E201-T210 PolarHBondContact OE1-N 3.48Å; E201-T210 VanDerWaalsContact OE2-CB 3.23Å; E201-T210 WeakPolarHBondContact OE2-CB 3.42Å; E201-T210 VanDerWaalsContact OE2-CG2 3.28Å; E201-T210 WeakPolarHBondContact OE2-CG2 3.49Å; E201-T210 PolarHBondContact OE2-N 2.74Å; E201-T210 PolarHBondContact OE2-OG1 3.07Å; T210-L223 HydrophobicContact CG2-CD2 4.48Å; T210-V224 CarbonylContact C-O 3.31Å; T210-V224 VanDerWaalsContact CA-O 3.26Å; T210-V224 WeakPolarHBondContact CA-O 3.48Å; T210-I225 HydrophobicContact CG2-CB 4.15Å; T210-I225 HydrophobicContact CG2-CD1 4.34Å; T210-I225 HydrophobicContact CG2-CG1 4.1Å
211	Y	98.3	Very high	95.4	Very high	46 Å²	46	58.3 Å²	58.3	18%	0.18	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	149.8	171.2	66.8	-87.2	0	0	0	111.2	I213 V224 E226 H286 W377	Y211-I213 HydrophobicContact CD2-CG2 4.12Å; Y211-I213 HydrophobicContact CE2-CG2 3.56Å; Y211-V224 HydrophobicContact CD1-CB 4.46Å; Y211-V224 HydrophobicContact CD2-CB 4.47Å; Y211-V224 HydrophobicContact CE1-CB 4.02Å; Y211-V224 HydrophobicContact CE1-CG1 3.79Å; Y211-V224 HydrophobicContact CE2-CB 4.02Å; Y211-V224 HydrophobicContact CE2-CG1 4.35Å; Y211-V224 HydrophobicContact CE2-CG2 4.29Å; Y211-V224 PolarHBondContact N-O 3.19Å; Y211-V224 PolarHBondContact O-N 2.76Å; Y211-V224 WeakPolarHBondContact OH-CG1 3.3Å; Y211-E226 HydrophobicContact CE1-CB 4.18Å; Y211-E226 HydrophobicContact CE1-CG 4.32Å; Y211-H286 AromaticContact CE1-ND1 3.72Å; Y211-H286 AromaticContact CZ-ND1 3.68Å; Y211-H286 PolarHBondContact OH-ND1 3.11Å; Y211-W377 PolarHBondContact OH-NE1 3.4Å
212	S	97.3	Very high	95.4	Very high	52 Å²	52	56.2 Å²	56.2	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.8	176.1	177.2	0	0	0	0	110.9	G214 L222	S212-G214 PolarHBondContact OG-N 2.79Å; S212-G214 PolarHBondContact OG-O 3.35Å; S212-L222 WeakPolarHBondContact CA-O 3.23Å
213	I	96.8	Very high	95.5	Very high	24 Å²	24	50.7 Å²	50.7	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-8.8	172.6	59.2	166.9	0	0	0	113.1	Y211 L222 V224 L288 A373 V374 W377	Y211-I213 HydrophobicContact CD2-CG2 4.12Å; Y211-I213 HydrophobicContact CE2-CG2 3.56Å; I213-L222 HydrophobicContact CD1-CB 4.22Å; I213-L222 HydrophobicContact CD1-CD2 4.29Å; I213-L222 HydrophobicContact CG1-CB 3.65Å; I213-L222 HydrophobicContact CG1-CD2 4.41Å; I213-L222 WeakPolarHBondContact CG1-O 3.46Å; I213-L222 PolarHBondContact N-O 2.98Å; I213-V224 HydrophobicContact CG1-CG2 4.38Å; I213-V224 HydrophobicContact CG2-CG2 3.77Å; I213-L288 HydrophobicContact CD1-CD2 3.78Å; I213-A373 HydrophobicContact CG1-CB 4.42Å; I213-A373 WeakPolarHBondContact O-CB 3.36Å; I213-V374 HydrophobicContact CD1-CG2 3.87Å; I213-W377 HydrophobicContact CB-CB 4.28Å; I213-W377 HydrophobicContact CB-CG 4.39Å; I213-W377 HydrophobicContact CD1-CB 4.36Å; I213-W377 HydrophobicContact CD1-CD2 4.27Å; I213-W377 HydrophobicContact CD1-CE3 4.02Å; I213-W377 HydrophobicContact CD1-CG 4.45Å; I213-W377 HydrophobicContact CG2-CB 4.02Å; I213-W377 HydrophobicContact CG2-CD2 4.03Å; I213-W377 HydrophobicContact CG2-CG 3.64Å
214	G	94.1	Very high	95.7	Very high	23 Å²	23	46.8 Å²	46.8	24%	0.237	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.5	-173.8	-175.3	0	0	0	0	0	111.7	S212 L222	S212-G214 PolarHBondContact OG-N 2.79Å; S212-G214 PolarHBondContact OG-O 3.35Å; G214-L222 PolarHBondContact O-N 2.56Å
215	R	93.6	Very high	95.8	Very high	131 Å²	131	46.6 Å²	46.6	49%	0.494	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.9	175.1	-67.1	-179.6	-179.2	-78.7	-13	110.2	G219 R220 E221	R215-G219 WeakPolarHBondContact CD-O 3.43Å; R215-G219 PolarHBondContact NH1-O 3.49Å; R215-R220 CarbonylContact C-O 3.47Å; R215-R220 WeakPolarHBondContact CA-O 3.28Å; R215-E221 IonicContact CZ-OE1 2.75Å; R215-E221 VanDerWaalsContact NH1-CG 3.34Å; R215-E221 IonicContact NH1-OE1 3.8Å; R215-E221 IonicContact NH2-OE1 2.87Å; R215-E221 PolarHBondContact NH2-OE1 3.07Å
216	S	94.9	Very high	96	Very high	7 Å²	7	43 Å²	43	5%	0.049	22%	0.218	C	C	.	.			trans	-68.6	176.7	171.3	69.6	0	0	0	0	111.1	E218 G219 R220 L222 D294 E370	S216-E218 VanDerWaalsContact C-N 3.26Å; S216-E218 PolarHBondContact O-N 3.3Å; S216-G219 PolarHBondContact O-N 3.02Å; S216-G219 PolarHBondContact OG-N 3.1Å; S216-R220 PolarHBondContact N-O 3.28Å; S216-R220 WeakPolarHBondContact OG-CB 3.19Å; S216-R220 PolarHBondContact OG-N 3.33Å; S216-R220 PolarHBondContact OG-O 2.77Å; S216-L222 VanDerWaalsContact N-CD1 3.3Å; S216-D294 VanDerWaalsContact CB-CG 3.45Å; S216-D294 VanDerWaalsContact CB-OD1 3.23Å; S216-D294 WeakPolarHBondContact CB-OD1 3.48Å; S216-D294 WeakPolarHBondContact CB-OD2 3.18Å; S216-D294 PolarHBondContact OG-OD1 3.2Å; S216-D294 PolarHBondContact OG-OD2 3.04Å; S216-D294 VanDerWaalsContact OG-OD2 3.06Å; S216-E370 WeakPolarHBondContact CA-OE1 3.3Å; S216-E370 WeakPolarHBondContact CB-OE1 3.08Å
217	T	90.9	Very high	96.1	Very high	51 Å²	51	36.2 Å²	36.2	31%	0.313	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.2	176.1	-59.1	0	0	0	0	112.1	G219 D294 N325 A326 Q327 P369 E370	T217-G219 VanDerWaalsContact C-N 3.28Å; T217-G219 PolarHBondContact O-N 3.05Å; T217-D294 PolarHBondContact N-OD2 3.47Å; T217-N325 PolarHBondContact OG1-ND2 3.43Å; T217-A326 HydrophobicContact CG2-CB 3.97Å; T217-Q327 HydrophobicContact CG2-CG 3.44Å; T217-Q327 VanDerWaalsContact CG2-CG 3.44Å; T217-P369 WeakPolarHBondContact OG1-CG 3.43Å; T217-E370 PolarHBondContact N-OE1 3.06Å; T217-E370 PolarHBondContact OG1-OE1 3.02Å; T217-E370 VanDerWaalsContact OG1-OE1 3.14Å
218	E	90.4	Very high	96.1	Very high	115 Å²	115	35.9 Å²	35.9	54%	0.537	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.7	177.9	-60.7	-171.3	161.9	0	0	113.3	S216 R220 D294 A326	S216-E218 VanDerWaalsContact C-N 3.26Å; S216-E218 PolarHBondContact O-N 3.3Å; E218-R220 IonicContact OE2-CZ 2.76Å; E218-R220 IonicContact OE2-NH1 2.68Å; E218-R220 PolarHBondContact OE2-NH1 2.96Å; E218-R220 IonicContact OE2-NH2 3.04Å; E218-R220 PolarHBondContact OE2-NH2 3.06Å; E218-D294 HydrophobicContact CG-CB 4.47Å; E218-D294 PolarHBondContact N-OD2 3.06Å; E218-A326 HydrophobicContact CG-CB 3.73Å
219	G	90.6	Very high	96	Very high	31 Å²	31	37.7 Å²	37.7	32%	0.32	19%	0.192	S	C	.	.	S	Bend	trans	87.6	5.2	172.7	0	0	0	0	0	115.7	R215 S216 T217	R215-G219 WeakPolarHBondContact CD-O 3.43Å; R215-G219 PolarHBondContact NH1-O 3.49Å; S216-G219 PolarHBondContact O-N 3.02Å; S216-G219 PolarHBondContact OG-N 3.1Å; T217-G219 VanDerWaalsContact C-N 3.28Å; T217-G219 PolarHBondContact O-N 3.05Å
220	R	92.9	Very high	95.9	Very high	70 Å²	70	34.6 Å²	34.6	26%	0.264	19%	0.188	S	C	.	.			trans	-70.1	141.7	176	-61.3	-175.4	-178.5	77	1.1	110.7	R215 S216 E218 P293 D294	R215-R220 CarbonylContact C-O 3.47Å; R215-R220 WeakPolarHBondContact CA-O 3.28Å; S216-R220 PolarHBondContact N-O 3.28Å; S216-R220 WeakPolarHBondContact OG-CB 3.19Å; S216-R220 PolarHBondContact OG-N 3.33Å; S216-R220 PolarHBondContact OG-O 2.77Å; E218-R220 IonicContact OE2-CZ 2.76Å; E218-R220 IonicContact OE2-NH1 2.68Å; E218-R220 PolarHBondContact OE2-NH1 2.96Å; E218-R220 IonicContact OE2-NH2 3.04Å; E218-R220 PolarHBondContact OE2-NH2 3.06Å; R220-P293 HydrophobicContact CB-CB 4.18Å; R220-P293 HydrophobicContact CB-CG 3.87Å; R220-D294 IonicContact CZ-OD1 2.76Å; R220-D294 IonicContact NH1-OD1 3.66Å; R220-D294 PolarHBondContact NH1-OD1 3.31Å
221	E	93.9	Very high	95.8	Very high	55 Å²	55	35.1 Å²	35.1	26%	0.257	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.8	-178.5	-63.2	-171.3	148.3	0	0	111.3	I194 R215 L223	I194-E221 HydrophobicContact CD1-CB 4.25Å; R215-E221 IonicContact CZ-OE1 2.75Å; R215-E221 VanDerWaalsContact NH1-CG 3.34Å; R215-E221 IonicContact NH1-OE1 3.8Å; R215-E221 IonicContact NH2-OE1 2.87Å; R215-E221 PolarHBondContact NH2-OE1 3.07Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.46Å; E221-L223 VanDerWaalsContact O-N 3.15Å
222	L	98	Very high	95.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	84.7	164.2	-79.9	66.7	0	0	0	106.9	S212 I213 G214 S216 L288 P293 E370 A373	S212-L222 WeakPolarHBondContact CA-O 3.23Å; I213-L222 HydrophobicContact CD1-CB 4.22Å; I213-L222 HydrophobicContact CD1-CD2 4.29Å; I213-L222 HydrophobicContact CG1-CB 3.65Å; I213-L222 HydrophobicContact CG1-CD2 4.41Å; I213-L222 WeakPolarHBondContact CG1-O 3.46Å; I213-L222 PolarHBondContact N-O 2.98Å; G214-L222 PolarHBondContact O-N 2.56Å; S216-L222 VanDerWaalsContact N-CD1 3.3Å; L222-L288 HydrophobicContact CB-CD1 4.28Å; L222-P293 HydrophobicContact CD1-CG 4.31Å; L222-E370 HydrophobicContact CD1-CG 4.43Å; L222-E370 HydrophobicContact CD2-CB 4.12Å; L222-E370 HydrophobicContact CD2-CG 4.36Å; L222-A373 HydrophobicContact CD2-CB 4.28Å
223	L	98.5	Very high	95.2	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.8	-174.2	-166	70.1	0	0	0	111	I194 L197 T210 E221 L288	I194-L223 HydrophobicContact CB-CD2 4.19Å; I194-L223 HydrophobicContact CG1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CD2 4.01Å; I194-L223 HydrophobicContact CG2-CD2 3.93Å; L197-L223 HydrophobicContact CB-CD2 4.08Å; L197-L223 HydrophobicContact CD1-CB 4.32Å; L197-L223 HydrophobicContact CD1-CD2 3.97Å; L197-L223 HydrophobicContact CD1-CG 4.17Å; T210-L223 HydrophobicContact CG2-CD2 4.48Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.46Å; E221-L223 VanDerWaalsContact O-N 3.15Å; L223-L288 WeakPolarHBondContact O-CD1 3.31Å
224	V	98.9	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.5	174.7	-179.9	0	0	0	0	108.6	T210 Y211 I213 H286 I287 L288 W377	T210-V224 CarbonylContact C-O 3.31Å; T210-V224 VanDerWaalsContact CA-O 3.26Å; T210-V224 WeakPolarHBondContact CA-O 3.48Å; Y211-V224 HydrophobicContact CD1-CB 4.46Å; Y211-V224 HydrophobicContact CD2-CB 4.47Å; Y211-V224 HydrophobicContact CE1-CB 4.02Å; Y211-V224 HydrophobicContact CE1-CG1 3.79Å; Y211-V224 HydrophobicContact CE2-CB 4.02Å; Y211-V224 HydrophobicContact CE2-CG1 4.35Å; Y211-V224 HydrophobicContact CE2-CG2 4.29Å; Y211-V224 PolarHBondContact N-O 3.19Å; Y211-V224 PolarHBondContact O-N 2.76Å; Y211-V224 WeakPolarHBondContact OH-CG1 3.3Å; I213-V224 HydrophobicContact CG1-CG2 4.38Å; I213-V224 HydrophobicContact CG2-CG2 3.77Å; V224-H286 HydrophobicContact CG1-CB 4.01Å; V224-I287 VanDerWaalsContact CA-O 3.32Å; V224-I287 WeakPolarHBondContact CA-O 3.34Å; V224-I287 WeakPolarHBondContact CG1-O 3.26Å; V224-L288 HydrophobicContact CG2-CB 4.09Å; V224-L288 HydrophobicContact CG2-CD1 3.97Å; V224-W377 HydrophobicContact CG1-CZ2 4.24Å; V224-W377 HydrophobicContact CG2-CZ2 4.34Å
225	I	98.8	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.8	161.8	-169.7	166.8	0	0	0	109	L197 T200 R209 T210 F227 A262 I287	L197-I225 HydrophobicContact CD2-CB 4.03Å; L197-I225 HydrophobicContact CD2-CD1 4.43Å; L197-I225 HydrophobicContact CD2-CG2 3.64Å; T200-I225 HydrophobicContact CG2-CD1 3.86Å; R209-I225 WeakPolarHBondContact O-CA 3.47Å; T210-I225 HydrophobicContact CG2-CB 4.15Å; T210-I225 HydrophobicContact CG2-CD1 4.34Å; T210-I225 HydrophobicContact CG2-CG1 4.1Å; I225-F227 HydrophobicContact CD1-CE2 3.79Å; I225-F227 HydrophobicContact CD1-CZ 3.75Å; I225-F227 HydrophobicContact CG1-CD2 4.41Å; I225-F227 HydrophobicContact CG1-CE2 3.82Å; I225-F227 HydrophobicContact CG1-CZ 4.23Å; I225-F227 HydrophobicContact CG2-CE2 3.96Å; I225-A262 HydrophobicContact CG2-CB 3.97Å; I225-I287 HydrophobicContact CG2-CB 3.86Å; I225-I287 PolarHBondContact N-O 3.24Å; I225-I287 PolarHBondContact O-N 2.93Å
226	E	98.5	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.1	170.6	66.4	-175.8	165.9	0	0	111.3	S208 R209 Y211 P231 G232 R284 I285 H286	S208-E226 CarbonylContact C-O 3.5Å; S208-E226 WeakPolarHBondContact CA-O 3.42Å; S208-E226 VanDerWaalsContact CB-O 3.3Å; S208-E226 WeakPolarHBondContact CB-O 3.12Å; R209-E226 HydrophobicContact CB-CG 3.82Å; R209-E226 WeakPolarHBondContact CB-OE1 3.48Å; R209-E226 WeakPolarHBondContact CD-OE1 3.46Å; R209-E226 PolarHBondContact N-O 3.08Å; R209-E226 IonicContact NH1-OE1 2.94Å; R209-E226 WeakPolarHBondContact O-CG 3.25Å; R209-E226 PolarHBondContact O-N 3.47Å; Y211-E226 HydrophobicContact CE1-CB 4.18Å; Y211-E226 HydrophobicContact CE1-CG 4.32Å; E226-P231 HydrophobicContact CG-CB 4.39Å; E226-G232 WeakPolarHBondContact OE1-CA 3.26Å; E226-G232 PolarHBondContact OE1-N 3.03Å; E226-R284 IonicContact OE1-NH2 3.53Å; E226-R284 IonicContact OE2-CZ 3.18Å; E226-R284 IonicContact OE2-NE 2.74Å; E226-R284 PolarHBondContact OE2-NE 3.28Å; E226-R284 IonicContact OE2-NH2 3.48Å; E226-R284 PolarHBondContact OE2-NH2 2.87Å; E226-I285 CarbonylContact C-O 3.53Å; E226-I285 WeakPolarHBondContact CA-O 3.22Å; E226-H286 IonicContact OE2-CE1 3.82Å; E226-H286 PolarHBondContact OE2-CE1 3.13Å; E226-H286 VanDerWaalsContact OE2-CE1 3.29Å; E226-H286 IonicContact OE2-ND1 3.53Å
227	F	98.8	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128	169.7	-69.7	-93.1	0	0	0	110.1	T200 I207 I225 A262 L265 C266 I280 R284 I285 I287	T200-F227 HydrophobicContact CG2-CZ 3.96Å; I207-F227 HydrophobicContact CD1-CD1 4.28Å; I207-F227 CarbonylContact O-C 3.6Å; I207-F227 WeakPolarHBondContact O-CA 3.26Å; I225-F227 HydrophobicContact CD1-CE2 3.79Å; I225-F227 HydrophobicContact CD1-CZ 3.75Å; I225-F227 HydrophobicContact CG1-CD2 4.41Å; I225-F227 HydrophobicContact CG1-CE2 3.82Å; I225-F227 HydrophobicContact CG1-CZ 4.23Å; I225-F227 HydrophobicContact CG2-CE2 3.96Å; F227-A262 HydrophobicContact CE2-CB 4.01Å; F227-A262 HydrophobicContact CZ-CB 4.24Å; F227-A262 VanDerWaalsContact CZ-O 3.25Å; F227-A262 WeakPolarHBondContact CZ-O 3.35Å; F227-L265 HydrophobicContact CD1-CB 4.37Å; F227-L265 HydrophobicContact CD2-CD1 4.07Å; F227-L265 HydrophobicContact CE1-CB 4.21Å; F227-L265 HydrophobicContact CE2-CD1 4.34Å; F227-L265 HydrophobicContact CG-CD1 4.37Å; F227-L265 HydrophobicContact CZ-CB 4.32Å; F227-C266 HydrophobicContact CE1-CB 4.13Å; F227-C266 HydrophobicContact CZ-CB 4.49Å; F227-I280 HydrophobicContact CB-CD1 4.29Å; F227-I280 HydrophobicContact CB-CG1 4.34Å; F227-I280 HydrophobicContact CB-CG2 4.41Å; F227-I280 HydrophobicContact CD1-CD1 4.08Å; F227-I280 HydrophobicContact CG-CD1 4.49Å; F227-R284 WeakPolarHBondContact O-CA 3.29Å; F227-I285 HydrophobicContact CB-CB 4.44Å; F227-I285 PolarHBondContact N-O 2.8Å; F227-I285 PolarHBondContact O-N 3.17Å; F227-I287 HydrophobicContact CD2-CD1 4.41Å; F227-I287 HydrophobicContact CE2-CD1 4.36Å
228	S	98.3	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-163.6	164.6	175.5	167.7	0	0	0	0	109.8	I207 S230 P231 E238	I207-S228 CarbonylContact C-O 3.45Å; I207-S228 WeakPolarHBondContact CA-O 3.48Å; I207-S228 PolarHBondContact O-N 3.41Å; I207-S228 VanDerWaalsContact O-O 3.12Å; S228-S230 PolarHBondContact O-N 2.71Å; S228-S230 PolarHBondContact OG-N 3.06Å; S228-P231 WeakPolarHBondContact O-CD 3.48Å; S228-E238 PolarHBondContact OG-OE1 3.28Å
229	S	95.9	Very high	96.1	Very high	40 Å²	40	33.9 Å²	33.9	28%	0.28	19%	0.187	S	C	.	.	S	Bend	trans	-64.9	-15.4	165.5	64	0	0	0	0	114.2	Q235 I280	S229-Q235 PolarHBondContact OG-NE2 2.96Å; S229-Q235 VanDerWaalsContact OG-NE2 3.07Å; S229-I280 PolarHBondContact N-O 3.29Å
230	S	96.1	Very high	96.5	Very high	46 Å²	46	32.4 Å²	32.4	32%	0.322	17%	0.172	S	C	.	.	S	Bend	trans	-143.5	79	172.5	-62.2	0	0	0	0	111	S228 G232 E233 Q235	S228-S230 PolarHBondContact O-N 2.71Å; S228-S230 PolarHBondContact OG-N 3.06Å; S230-G232 PolarHBondContact O-N 2.94Å; S230-E233 PolarHBondContact O-N 2.82Å; S230-Q235 PolarHBondContact OG-NE2 3.47Å
231	P	96.3	Very high	96.7	Very high	34 Å²	34	29.1 Å²	29.1	22%	0.221	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	140.7	179.3	-23.5	34	0	0	0	112	R209 E226 S228 E233	R209-P231 HydrophobicContact CB-CB 3.75Å; E226-P231 HydrophobicContact CG-CB 4.39Å; S228-P231 WeakPolarHBondContact O-CD 3.48Å; P231-E233 VanDerWaalsContact C-N 3.32Å; P231-E233 PolarHBondContact O-N 3.29Å
232	G	92.8	Very high	97	Very high	29 Å²	29	26.5 Å²	26.5	30%	0.299	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-18.1	178.4	0	0	0	0	0	115.3	R209 E226 S230 R284	R209-G232 VanDerWaalsContact NH1-CA 3.28Å; E226-G232 WeakPolarHBondContact OE1-CA 3.26Å; E226-G232 PolarHBondContact OE1-N 3.03Å; S230-G232 PolarHBondContact O-N 2.94Å; G232-R284 VanDerWaalsContact C-NH2 3.27Å; G232-R284 PolarHBondContact O-NH2 3.38Å
233	E	91.2	Very high	97	Very high	145 Å²	145	26.5 Å²	26.5	68%	0.678	15%	0.148	S	C	*	.	S	Bend	trans	-122	137.7	-176.6	-63.6	-171.3	176	0	0	111.7	S230 P231 Q235	S230-E233 PolarHBondContact O-N 2.82Å; P231-E233 VanDerWaalsContact C-N 3.32Å; P231-E233 PolarHBondContact O-N 3.29Å; E233-Q235 PolarHBondContact O-N 2.91Å
234	H	93.4	Very high	97	Very high	54 Å²	54	26 Å²	26	25%	0.25	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-77.3	118.1	171.9	175.2	63.6	0	0	0	109.6	E238 E240 D546 W548	H234-E238 PolarHBondContact CE1-O 3.45Å; H234-E240 IonicContact CE1-OE1 3.35Å; H234-E240 IonicContact CG-OE1 3.37Å; H234-E240 IonicContact ND1-OE1 3.86Å; H234-E240 PolarHBondContact ND1-OE1 3.46Å; H234-D546 IonicContact NE2-OD2 3.48Å; H234-D546 PolarHBondContact NE2-OD2 3.4Å; H234-W548 AromaticContact CE1-CH2 3.41Å; H234-W548 VanDerWaalsContact CE1-CH2 3.41Å; H234-W548 WeakPolarHBondContact CE1-CH2 3.3Å; H234-W548 AromaticContact CE1-CZ2 3.93Å; H234-W548 AromaticContact NE2-CH2 3.61Å
235	Q	96.4	Very high	97	Very high	68 Å²	68	26 Å²	26	32%	0.318	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-88.5	137.6	171.4	-67.1	-168.3	14.6	0	0	111.4	S229 S230 E233 L237 E238	S229-Q235 PolarHBondContact OG-NE2 2.96Å; S229-Q235 VanDerWaalsContact OG-NE2 3.07Å; S230-Q235 PolarHBondContact OG-NE2 3.47Å; E233-Q235 PolarHBondContact O-N 2.91Å; Q235-L237 PolarHBondContact O-N 3.28Å; Q235-E238 HydrophobicContact CB-CB 3.85Å; Q235-E238 WeakPolarHBondContact O-CB 3.43Å; Q235-E238 PolarHBondContact O-N 3.22Å; Q235-E238 VanDerWaalsContact O-N 3.11Å
236	L	96.4	Very high	97	Very high	84 Å²	84	26.1 Å²	26.1	44%	0.44	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	132.4	179.8	-58.8	-179.6	0	0	0	110.8	E238 F516 N544 D546	L236-E238 PolarHBondContact O-N 3.27Å; L236-E238 VanDerWaalsContact O-N 3.15Å; L236-F516 HydrophobicContact CB-CE1 3.99Å; L236-F516 HydrophobicContact CB-CZ 3.87Å; L236-F516 HydrophobicContact CD1-CE1 3.99Å; L236-F516 HydrophobicContact CD1-CZ 3.93Å; L236-F516 HydrophobicContact CD2-CE1 4.31Å; L236-F516 HydrophobicContact CG-CE1 4.33Å; L236-F516 HydrophobicContact CG-CZ 4.44Å; L236-N544 HydrophobicContact CD2-CB 3.43Å; L236-N544 VanDerWaalsContact CD2-CB 3.43Å; L236-D546 WeakPolarHBondContact CA-OD2 3.47Å
237	L	96.9	Very high	96.9	Very high	36 Å²	36	26.1 Å²	26.1	19%	0.188	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-2.5	178.5	-41.5	166.4	0	0	0	115.3	Q235 P239 K514 F516 D546 W548 R583	Q235-L237 PolarHBondContact O-N 3.28Å; L237-P239 WeakPolarHBondContact O-CD 3.36Å; L237-K514 HydrophobicContact CB-CD 4.41Å; L237-K514 WeakPolarHBondContact O-CD 3.27Å; L237-K514 PolarHBondContact O-NZ 3.13Å; L237-F516 HydrophobicContact CD1-CE2 3.83Å; L237-F516 HydrophobicContact CD1-CZ 3.8Å; L237-F516 HydrophobicContact CD2-CD1 4.19Å; L237-F516 HydrophobicContact CD2-CD2 4.39Å; L237-F516 HydrophobicContact CD2-CE1 3.8Å; L237-F516 HydrophobicContact CD2-CE2 4Å; L237-F516 HydrophobicContact CD2-CG 4.44Å; L237-F516 HydrophobicContact CD2-CZ 3.66Å; L237-F516 HydrophobicContact CG-CE1 4.17Å; L237-F516 HydrophobicContact CG-CE2 4.08Å; L237-F516 HydrophobicContact CG-CZ 3.63Å; L237-D546 HydrophobicContact CD2-CB 3.76Å; L237-D546 PolarHBondContact N-OD2 2.97Å; L237-W548 PolarHBondContact O-NE1 2.97Å; L237-W548 VanDerWaalsContact O-NE1 3.14Å; L237-R583 VanDerWaalsContact CG-NH1 3.31Å
238	E	97.6	Very high	96.9	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.037	15%	0.147	C	C	.	.			trans	-77.9	112.3	165.9	-178.5	164.8	96	0	0	107.9	S228 H234 Q235 L236 R284 W548	S228-E238 PolarHBondContact OG-OE1 3.28Å; H234-E238 PolarHBondContact CE1-O 3.45Å; Q235-E238 HydrophobicContact CB-CB 3.85Å; Q235-E238 WeakPolarHBondContact O-CB 3.43Å; Q235-E238 PolarHBondContact O-N 3.22Å; Q235-E238 VanDerWaalsContact O-N 3.11Å; L236-E238 PolarHBondContact O-N 3.27Å; L236-E238 VanDerWaalsContact O-N 3.15Å; E238-R284 HydrophobicContact CG-CB 4.34Å; E238-R284 WeakPolarHBondContact OE1-CB 3.37Å; E238-W548 WeakPolarHBondContact O-CZ2 3.34Å
239	P	98	Very high	96.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.			trans	-69.3	141	178.7	28.9	-32.9	0	0	0	111.1	L237 N282 T283 R284 V384 T509 H510 W548	L237-P239 WeakPolarHBondContact O-CD 3.36Å; P239-N282 WeakPolarHBondContact CD-O 3.23Å; P239-T283 HydrophobicContact CG-CG2 4.41Å; P239-R284 PolarHBondContact O-N 3.03Å; P239-R284 VanDerWaalsContact O-N 3.13Å; P239-V384 HydrophobicContact CB-CB 4.41Å; P239-V384 HydrophobicContact CB-CG2 3.92Å; P239-T509 HydrophobicContact CB-CG2 3.52Å; P239-T509 HydrophobicContact CG-CG2 3.82Å; P239-H510 VanDerWaalsContact CG-CE1 3.41Å; P239-H510 WeakPolarHBondContact CG-CE1 3.12Å; P239-W548 HydrophobicContact CB-CD2 4.44Å; P239-W548 HydrophobicContact CB-CG 4.19Å
240	E	98.4	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.3	172.5	-57.6	-75.6	-176	0	0	109.1	H234 R284 H286 I381 P382 F383 V384	H234-E240 IonicContact CE1-OE1 3.35Å; H234-E240 IonicContact CG-OE1 3.37Å; H234-E240 IonicContact ND1-OE1 3.86Å; H234-E240 PolarHBondContact ND1-OE1 3.46Å; E240-R284 WeakPolarHBondContact OE1-CD 3.4Å; E240-R284 IonicContact OE1-CZ 3.83Å; E240-R284 IonicContact OE1-NH1 3.76Å; E240-R284 PolarHBondContact OE1-NH1 2.97Å; E240-R284 WeakPolarHBondContact OE2-CB 3.39Å; E240-R284 WeakPolarHBondContact OE2-CD 3.37Å; E240-R284 WeakPolarHBondContact OE2-CG 3.1Å; E240-R284 IonicContact OE2-NE 2.77Å; E240-R284 IonicContact OE2-NH1 3.79Å; E240-H286 IonicContact OE2-CD2 3.28Å; E240-H286 IonicContact OE2-NE2 3.45Å; E240-H286 PolarHBondContact OE2-NE2 3.3Å; E240-I381 HydrophobicContact CB-CG2 3.66Å; E240-I381 HydrophobicContact CG-CG2 3.54Å; E240-P382 HydrophobicContact CG-CG 3.86Å; E240-F383 HydrophobicContact CB-CD1 4.01Å; E240-F383 HydrophobicContact CB-CE1 4.45Å; E240-V384 PolarHBondContact O-N 3.48Å
241	M	98	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.8	173.4	70.4	131.7	-68.8	0	0	111.9	L243 T283 R284 I285 H286 L385 I506 T509	M241-L243 HydrophobicContact CE-CD1 4.2Å; M241-L243 HydrophobicContact CE-CD2 3.62Å; M241-L243 HydrophobicContact CE-CG 3.5Å; M241-T283 HydrophobicContact CG-CG2 3.86Å; M241-R284 PolarHBondContact N-O 3.28Å; M241-I285 HydrophobicContact CE-CG2 4.16Å; M241-I285 HydrophobicContact CG-CB 4.5Å; M241-I285 HydrophobicContact CG-CG1 4.28Å; M241-I285 HydrophobicContact CG-CG2 4.42Å; M241-I285 HydrophobicContact SD-CG1 4.49Å; M241-I285 HydrophobicContact SD-CG2 4.19Å; M241-H286 PolarHBondContact O-N 3.33Å; M241-L385 VanDerWaalsContact CA-O 3.28Å; M241-L385 WeakPolarHBondContact CA-O 3.18Å; M241-L385 HydrophobicContact CB-CB 4.43Å; M241-L385 WeakPolarHBondContact CB-O 3.44Å; M241-I506 HydrophobicContact CE-CG1 4.15Å; M241-I506 HydrophobicContact SD-CB 3.75Å; M241-I506 HydrophobicContact SD-CG1 3.59Å; M241-I506 VanDerWaalsContact SD-CG1 3.59Å; M241-I506 HydrophobicContact SD-CG2 3.5Å; M241-I506 VanDerWaalsContact SD-CG2 3.5Å; M241-T509 HydrophobicContact CB-CG2 4.08Å
242	K	98.8	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.9	-179.8	57.3	172.1	174.9	65.1	0	114.6	H286 W377 F383 L385 S386 A387 N467 E475	K242-H286 CarbonylContact C-O 3.46Å; K242-H286 WeakPolarHBondContact CA-O 3.4Å; K242-H286 HydrophobicContact CB-CB 4.18Å; K242-W377 HydrophobicContact CB-CH2 3.58Å; K242-W377 HydrophobicContact CB-CZ2 3.99Å; K242-W377 HydrophobicContact CB-CZ3 4.38Å; K242-W377 HydrophobicContact CD-CE3 4.1Å; K242-W377 HydrophobicContact CD-CH2 3.55Å; K242-W377 HydrophobicContact CD-CZ2 4.12Å; K242-W377 HydrophobicContact CD-CZ3 3.53Å; K242-W377 HydrophobicContact CG-CH2 4.2Å; K242-F383 HydrophobicContact CB-CD1 3.92Å; K242-F383 HydrophobicContact CB-CE1 3.57Å; K242-F383 HydrophobicContact CB-CZ 4.01Å; K242-F383 HydrophobicContact CD-CD1 4.07Å; K242-F383 HydrophobicContact CD-CD2 3.81Å; K242-F383 HydrophobicContact CD-CE1 4.03Å; K242-F383 HydrophobicContact CD-CE2 3.74Å; K242-F383 HydrophobicContact CD-CG 3.97Å; K242-F383 HydrophobicContact CD-CZ 3.87Å; K242-F383 HydrophobicContact CG-CD1 3.75Å; K242-F383 HydrophobicContact CG-CD2 4.38Å; K242-F383 HydrophobicContact CG-CE1 3.86Å; K242-F383 HydrophobicContact CG-CE2 4.44Å; K242-F383 HydrophobicContact CG-CG 4.04Å; K242-F383 HydrophobicContact CG-CZ 4.2Å; K242-L385 PolarHBondContact N-O 3.34Å; K242-L385 VanDerWaalsContact N-O 3.07Å; K242-S386 PolarHBondContact NZ-OG 3.47Å; K242-S386 WeakPolarHBondContact O-CA 3.41Å; K242-S386 PolarHBondContact O-OG 3.06Å; K242-A387 PolarHBondContact O-N 3.44Å; K242-N467 WeakPolarHBondContact CE-OD1 3.43Å; K242-N467 PolarHBondContact NZ-OD1 2.85Å; K242-E475 IonicContact NZ-OE2 3.82Å; K242-E475 PolarHBondContact NZ-OE2 3.43Å
243	L	98.9	Very high	96.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.1	171.2	-59.9	176.2	0	0	0	108.7	M241 L258 L261 H286 L288 A387 F389 L502 F505 I506	M241-L243 HydrophobicContact CE-CD1 4.2Å; M241-L243 HydrophobicContact CE-CD2 3.62Å; M241-L243 HydrophobicContact CE-CG 3.5Å; L243-L258 HydrophobicContact CB-CD1 3.95Å; L243-L258 HydrophobicContact CB-CD2 3.58Å; L243-L258 HydrophobicContact CB-CG 4.44Å; L243-L258 HydrophobicContact CD1-CD2 3.61Å; L243-L258 HydrophobicContact CG-CD2 4.18Å; L243-L261 HydrophobicContact CD1-CD2 3.48Å; L243-L261 VanDerWaalsContact CD1-CD2 3.48Å; L243-H286 PolarHBondContact N-O 3.32Å; L243-L288 PolarHBondContact O-N 3.03Å; L243-A387 HydrophobicContact CD2-CB 3.97Å; L243-F389 HydrophobicContact CB-CE2 4.01Å; L243-F389 HydrophobicContact CD2-CE2 3.85Å; L243-F389 HydrophobicContact CD2-CZ 4.12Å; L243-F389 HydrophobicContact CG-CE2 4.34Å; L243-L502 HydrophobicContact CD1-CD2 4.43Å; L243-F505 HydrophobicContact CD2-CD1 4.4Å; L243-I506 HydrophobicContact CD1-CD1 4.43Å; L243-I506 HydrophobicContact CD1-CG1 4.45Å
244	V	98.9	Very high	97.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.1	-177.9	-178.2	0	0	0	0	109.8	L288 M291 W377 A387 S388 F389 M463	V244-L288 WeakPolarHBondContact CA-O 3.36Å; V244-L288 HydrophobicContact CG1-CD2 4.09Å; V244-L288 HydrophobicContact CG2-CB 4.46Å; V244-M291 HydrophobicContact CG1-CB 4Å; V244-M291 HydrophobicContact CG1-SD 4.34Å; V244-W377 HydrophobicContact CG2-CH2 4.4Å; V244-W377 HydrophobicContact CG2-CZ3 3.9Å; V244-A387 PolarHBondContact N-O 3.13Å; V244-S388 CarbonylContact O-C 3.53Å; V244-S388 VanDerWaalsContact O-CA 3.26Å; V244-S388 WeakPolarHBondContact O-CA 3.22Å; V244-F389 PolarHBondContact O-N 2.75Å; V244-M463 HydrophobicContact CB-CE 4.09Å; V244-M463 HydrophobicContact CG1-CE 3.97Å; V244-M463 HydrophobicContact CG2-CE 4.44Å
245	G	98.5	Very high	97.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	161.5	177	0	0	0	0	0	112.5	M247 L288 P289 M291	G245-M247 VanDerWaalsContact C-N 3.3Å; G245-M247 PolarHBondContact O-N 2.88Å; G245-M247 VanDerWaalsContact O-N 3.14Å; G245-L288 PolarHBondContact N-O 3.37Å; G245-P289 CarbonylContact C-O 3.54Å; G245-P289 VanDerWaalsContact CA-O 3.3Å; G245-P289 WeakPolarHBondContact CA-O 3.49Å; G245-M291 PolarHBondContact O-N 2.95Å; G245-M291 VanDerWaalsContact O-N 3.09Å
246	N	98.1	Very high	97.3	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.011	4%	0.039	C	C	.	.			trans	53	45.6	161.2	-174.1	-126.9	0	0	0	113.2	H248 G249 E251 P252 P289 S290 N292 Y296	N246-H248 VanDerWaalsContact C-N 3.31Å; N246-H248 PolarHBondContact ND2-O 3.39Å; N246-G249 WeakPolarHBondContact ND2-CA 3.47Å; N246-G249 PolarHBondContact ND2-O 2.76Å; N246-E251 PolarHBondContact ND2-O 3.37Å; N246-P252 WeakPolarHBondContact ND2-CA 3.49Å; N246-P289 WeakPolarHBondContact CB-O 3.46Å; N246-S290 PolarHBondContact OD1-OG 3.47Å; N246-N292 WeakPolarHBondContact O-CB 3.35Å; N246-N292 PolarHBondContact O-N 3.49Å; N246-Y296 WeakPolarHBondContact OD1-CB 3.46Å
247	M	98.1	Very high	97.4	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	2%	0.018	C	C	.	.	S	Bend	trans	-74.4	-25.3	170.9	77.1	177.3	-50.3	0	0	112.4	G245 M291 N292 L331 N332 F335 H390 M463	G245-M247 VanDerWaalsContact C-N 3.3Å; G245-M247 PolarHBondContact O-N 2.88Å; G245-M247 VanDerWaalsContact O-N 3.14Å; M247-M291 HydrophobicContact CB-CB 4.06Å; M247-M291 HydrophobicContact CB-CG 4.25Å; M247-M291 HydrophobicContact CB-SD 3.73Å; M247-M291 HydrophobicContact CE-SD 4.06Å; M247-N292 VanDerWaalsContact O-CB 3.25Å; M247-N292 WeakPolarHBondContact O-CB 3.29Å; M247-L331 HydrophobicContact CE-CB 4.31Å; M247-N332 HydrophobicContact CE-CB 3.51Å; M247-N332 HydrophobicContact SD-CB 3.83Å; M247-F335 HydrophobicContact CE-CE2 4.42Å; M247-H390 WeakPolarHBondContact CG-CE1 3.33Å; M247-H390 PolarHBondContact SD-CE1 2.92Å; M247-H390 PolarHBondContact SD-NE2 3.03Å; M247-M463 HydrophobicContact CE-CB 4.08Å; M247-M463 HydrophobicContact CE-CE 4.28Å; M247-M463 HydrophobicContact CE-SD 4.41Å; M247-M463 HydrophobicContact SD-CE 4.15Å
248	H	97.8	Very high	97.5	Very high	5 Å²	5	1.9 Å²	1.9	2%	0.023	1%	0.01	C	C	.	.	S	Bend	trans	-98.2	123.8	158	-55.2	133.1	0	0	0	107.7	N246 N250 E251 R323 D330 H390	N246-H248 VanDerWaalsContact C-N 3.31Å; N246-H248 PolarHBondContact ND2-O 3.39Å; H248-N250 PolarHBondContact O-N 3.19Å; H248-E251 HydrophobicContact CB-CB 4.24Å; H248-E251 HydrophobicContact CB-CG 4.01Å; H248-E251 IonicContact CE1-OE1 3.29Å; H248-E251 IonicContact CE1-OE2 2.85Å; H248-E251 IonicContact CG-OE1 3.56Å; H248-E251 IonicContact CG-OE2 3.77Å; H248-E251 IonicContact ND1-OE1 3.75Å; H248-E251 PolarHBondContact ND1-OE1 3.15Å; H248-E251 IonicContact ND1-OE2 3.94Å; H248-E251 PolarHBondContact ND1-OE2 3.01Å; H248-E251 PolarHBondContact O-N 3.37Å; H248-R323 VanDerWaalsContact CA-O 3.28Å; H248-R323 WeakPolarHBondContact CA-O 3.18Å; H248-R323 HydrophobicContact CB-CG 4.03Å; H248-R323 VanDerWaalsContact CE1-CZ 3.44Å; H248-R323 PolarHBondContact CE1-NH1 3.33Å; H248-R323 PolarHBondContact CE1-NH2 3.49Å; H248-R323 PolarHBondContact ND1-NH1 2.88Å; H248-R323 VanDerWaalsContact NE2-CZ 3.35Å; H248-R323 PolarHBondContact NE2-NH2 2.91Å; H248-D330 IonicContact CD2-OD1 3.22Å; H248-D330 IonicContact NE2-OD1 3.84Å; H248-D330 PolarHBondContact NE2-OD1 3.06Å; H248-H390 AromaticContact CE1-CE1 3.24Å; H248-H390 PolarHBondContact CE1-CE1 3.4Å; H248-H390 AromaticContact CE1-ND1 3.39Å; H248-H390 PolarHBondContact CE1-ND1 2.85Å; H248-H390 AromaticContact ND1-CE1 3.41Å; H248-H390 PolarHBondContact ND1-CE1 3.18Å; H248-H390 AromaticContact ND1-ND1 3.21Å; H248-H390 PolarHBondContact ND1-ND1 3.49Å
249	G	96.1	Very high	97.5	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-32	-171.3	0	0	0	0	0	113.2	N246 E251 N292 Y296 G322 R323	N246-G249 WeakPolarHBondContact ND2-CA 3.47Å; N246-G249 PolarHBondContact ND2-O 2.76Å; G249-E251 VanDerWaalsContact C-N 3.27Å; G249-E251 PolarHBondContact O-N 3.04Å; G249-N292 PolarHBondContact N-ND2 2.81Å; G249-Y296 WeakPolarHBondContact O-CA 3.13Å; G249-Y296 WeakPolarHBondContact O-CD2 3.45Å; G249-G322 CarbonylContact C-O 3.53Å; G249-G322 WeakPolarHBondContact CA-O 3.34Å; G249-G322 PolarHBondContact N-O 3.16Å; G249-G322 VanDerWaalsContact N-O 3.07Å; G249-R323 PolarHBondContact N-O 2.76Å
250	N	94.2	Very high	97.5	Very high	8 Å²	8	1.5 Å²	1.5	4%	0.043	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	9.7	177.3	76.4	-27.4	0	0	0	115.7	H248 P252 A299 G319 V321 G322 R323 K484	H248-N250 PolarHBondContact O-N 3.19Å; N250-P252 VanDerWaalsContact O-CD 3.22Å; N250-P252 WeakPolarHBondContact O-CD 3.38Å; N250-A299 HydrophobicContact CB-CB 3.77Å; N250-G319 PolarHBondContact ND2-O 3.38Å; N250-V321 WeakPolarHBondContact CB-O 3.45Å; N250-V321 PolarHBondContact ND2-O 3.04Å; N250-G322 PolarHBondContact N-O 2.9Å; N250-G322 VanDerWaalsContact N-O 3.14Å; N250-R323 VanDerWaalsContact OD1-CA 3.31Å; N250-R323 WeakPolarHBondContact OD1-CA 3.18Å; N250-R323 WeakPolarHBondContact OD1-CB 3.34Å; N250-K484 CarbonylContact O-C 3.49Å; N250-K484 WeakPolarHBondContact O-CB 3.34Å
251	E	95.6	Very high	97.5	Very high	5 Å²	5	1.5 Å²	1.5	2%	0.023	1%	0.008	C	C	.	.			trans	-113.3	64.4	170.7	-63.3	168.1	-155.2	0	0	108.7	N246 H248 G249 L253 R323 H390 S391 K484	N246-E251 PolarHBondContact ND2-O 3.37Å; H248-E251 HydrophobicContact CB-CB 4.24Å; H248-E251 HydrophobicContact CB-CG 4.01Å; H248-E251 IonicContact CE1-OE1 3.29Å; H248-E251 IonicContact CE1-OE2 2.85Å; H248-E251 IonicContact CG-OE1 3.56Å; H248-E251 IonicContact CG-OE2 3.77Å; H248-E251 IonicContact ND1-OE1 3.75Å; H248-E251 PolarHBondContact ND1-OE1 3.15Å; H248-E251 IonicContact ND1-OE2 3.94Å; H248-E251 PolarHBondContact ND1-OE2 3.01Å; H248-E251 PolarHBondContact O-N 3.37Å; G249-E251 VanDerWaalsContact C-N 3.27Å; G249-E251 PolarHBondContact O-N 3.04Å; E251-L253 PolarHBondContact O-N 3.45Å; E251-R323 IonicContact OE1-NH1 2.94Å; E251-R323 PolarHBondContact OE1-NH1 3.47Å; E251-H390 WeakPolarHBondContact OE2-CA 3.22Å; E251-H390 WeakPolarHBondContact OE2-CB 3.43Å; E251-H390 IonicContact OE2-CE1 3.16Å; E251-H390 IonicContact OE2-CG 2.75Å; E251-H390 IonicContact OE2-ND1 3.65Å; E251-H390 PolarHBondContact OE2-ND1 3.22Å; E251-S391 PolarHBondContact OE2-N 3.49Å; E251-K484 HydrophobicContact CG-CB 4.17Å; E251-K484 HydrophobicContact CG-CD 4.16Å; E251-K484 HydrophobicContact CG-CG 4.17Å
252	P	95.5	Very high	97.6	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.			trans	-75.7	-19.8	-169.9	33.2	-42.5	0	0	0	114.8	Y187 N246 N250 G254 G255 Q256 Y296 K484 F485	Y187-P252 HydrophobicContact CD1-CB 4.17Å; Y187-P252 HydrophobicContact CD1-CG 4.22Å; Y187-P252 HydrophobicContact CE1-CB 3.78Å; Y187-P252 HydrophobicContact CE1-CG 3.48Å; Y187-P252 VanDerWaalsContact CE1-CG 3.48Å; N246-P252 WeakPolarHBondContact ND2-CA 3.49Å; N250-P252 VanDerWaalsContact O-CD 3.22Å; N250-P252 WeakPolarHBondContact O-CD 3.38Å; P252-G254 VanDerWaalsContact C-N 3.26Å; P252-G254 PolarHBondContact O-N 2.84Å; P252-G255 WeakPolarHBondContact O-CA 3.3Å; P252-G255 PolarHBondContact O-N 3.11Å; P252-Q256 PolarHBondContact O-N 3.31Å; P252-Y296 HydrophobicContact CB-CD2 3.81Å; P252-Y296 HydrophobicContact CB-CE2 3.45Å; P252-Y296 VanDerWaalsContact CB-CE2 3.45Å; P252-Y296 HydrophobicContact CG-CE2 4.35Å; P252-K484 WeakPolarHBondContact CD-O 3.45Å; P252-F485 HydrophobicContact CB-CE2 4.39Å; P252-F485 HydrophobicContact CG-CB 4.46Å; P252-F485 HydrophobicContact CG-CD1 4.07Å; P252-F485 HydrophobicContact CG-CD2 3.53Å; P252-F485 HydrophobicContact CG-CE1 4.15Å; P252-F485 HydrophobicContact CG-CE2 3.62Å; P252-F485 HydrophobicContact CG-CG 3.76Å; P252-F485 HydrophobicContact CG-CZ 3.92Å
253	L	95.6	Very high	97.5	Very high	5 Å²	5	3.3 Å²	3.3	3%	0.026	2%	0.016	C	C	.	.	H	α-helix	trans	-53.9	-44.3	-172.9	-178.8	61.9	0	0	0	111.8	E251 G255 Q256 L257 L480 P486 L491	E251-L253 PolarHBondContact O-N 3.45Å; L253-G255 VanDerWaalsContact C-N 3.31Å; L253-G255 PolarHBondContact O-N 3.23Å; L253-Q256 PolarHBondContact O-N 3.27Å; L253-L257 HydrophobicContact CD1-CG 4.29Å; L253-L257 HydrophobicContact CG-CD1 4.39Å; L253-L257 HydrophobicContact CG-CG 4.39Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 3.47Å; L253-L480 HydrophobicContact CB-CD1 4.37Å; L253-L480 HydrophobicContact CD2-CB 3.76Å; L253-L480 HydrophobicContact CD2-CD1 4.22Å; L253-L480 HydrophobicContact CG-CB 4.47Å; L253-L480 HydrophobicContact CG-CD1 4.03Å; L253-P486 HydrophobicContact CB-CG 4.38Å; L253-P486 HydrophobicContact CD1-CG 4.24Å; L253-P486 HydrophobicContact CD2-CG 4.26Å; L253-L491 HydrophobicContact CD1-CD2 3.71Å
254	G	97.2	Very high	97.5	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58.4	-41.9	176.5	0	0	0	0	0	113.1	P252 L258 L480	P252-G254 VanDerWaalsContact C-N 3.26Å; P252-G254 PolarHBondContact O-N 2.84Å; G254-L258 VanDerWaalsContact O-CG 3.26Å; G254-L258 WeakPolarHBondContact O-CG 3.48Å; G254-L258 PolarHBondContact O-N 3.29Å; G254-L258 VanDerWaalsContact O-N 3.11Å; G254-L480 VanDerWaalsContact CA-CD1 3.43Å
255	G	97.4	Very high	97.5	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-66	-41.8	176.8	0	0	0	0	0	113	P252 L253 L258 L259 P289	P252-G255 WeakPolarHBondContact O-CA 3.3Å; P252-G255 PolarHBondContact O-N 3.11Å; L253-G255 VanDerWaalsContact C-N 3.31Å; L253-G255 PolarHBondContact O-N 3.23Å; G255-L258 PolarHBondContact O-N 3.41Å; G255-L259 PolarHBondContact O-N 2.91Å; G255-P289 WeakPolarHBondContact CA-O 3.18Å
256	Q	97.6	Very high	97.4	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	2%	0.022	C	C	.	.	H	α-helix	trans	-65.1	-44.1	177.1	-59.5	-52.8	-43.5	0	0	111.7	T186 Y187 H188 P252 L253 L258 L259 Y260 Y296	T186-Q256 PolarHBondContact O-OE1 2.84Å; Y187-Q256 HydrophobicContact CD1-CG 3.72Å; Y187-Q256 HydrophobicContact CE1-CG 3.88Å; H188-Q256 PolarHBondContact ND1-OE1 3.36Å; P252-Q256 PolarHBondContact O-N 3.31Å; L253-Q256 PolarHBondContact O-N 3.27Å; Q256-L258 VanDerWaalsContact C-N 3.28Å; Q256-L258 PolarHBondContact O-N 3.44Å; Q256-L259 WeakPolarHBondContact O-CB 3.3Å; Q256-L259 PolarHBondContact O-N 3.11Å; Q256-L259 VanDerWaalsContact O-N 3.11Å; Q256-Y260 HydrophobicContact CB-CE2 3.97Å; Q256-Y260 WeakPolarHBondContact O-CD1 3.36Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.18Å; Q256-Y260 PolarHBondContact O-N 2.98Å; Q256-Y296 PolarHBondContact NE2-OH 2.92Å
257	L	98.4	Very high	97.3	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-59.3	-39	175.4	-67.7	-175.2	0	0	0	112.5	L253 Y260 L261 L480 W495 N498	L253-L257 HydrophobicContact CD1-CG 4.29Å; L253-L257 HydrophobicContact CG-CD1 4.39Å; L253-L257 HydrophobicContact CG-CG 4.39Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 3.47Å; L257-Y260 HydrophobicContact CD2-CD2 4.2Å; L257-Y260 PolarHBondContact O-N 2.87Å; L257-L261 WeakPolarHBondContact O-CB 3.48Å; L257-L261 PolarHBondContact O-N 2.85Å; L257-L480 HydrophobicContact CD1-CD1 3.71Å; L257-L480 HydrophobicContact CD1-CD2 3.8Å; L257-L480 HydrophobicContact CD1-CG 4.36Å; L257-W495 HydrophobicContact CD2-CB 4.02Å; L257-W495 HydrophobicContact CD2-CE3 4.11Å; L257-N498 HydrophobicContact CD1-CB 3.87Å
258	L	98.7	Very high	97.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-69	-33.5	176.4	-71.5	-173	0	0	0	112.8	L243 G254 G255 Q256 L261 A262 I287 P289 F389 L502	L243-L258 HydrophobicContact CB-CD1 3.95Å; L243-L258 HydrophobicContact CB-CD2 3.58Å; L243-L258 HydrophobicContact CB-CG 4.44Å; L243-L258 HydrophobicContact CD1-CD2 3.61Å; L243-L258 HydrophobicContact CG-CD2 4.18Å; G254-L258 VanDerWaalsContact O-CG 3.26Å; G254-L258 WeakPolarHBondContact O-CG 3.48Å; G254-L258 PolarHBondContact O-N 3.29Å; G254-L258 VanDerWaalsContact O-N 3.11Å; G255-L258 PolarHBondContact O-N 3.41Å; Q256-L258 VanDerWaalsContact C-N 3.28Å; Q256-L258 PolarHBondContact O-N 3.44Å; L258-L261 HydrophobicContact CD2-CD2 4.15Å; L258-L261 PolarHBondContact O-N 2.94Å; L258-A262 PolarHBondContact O-N 3Å; L258-I287 HydrophobicContact CB-CG2 3.64Å; L258-I287 HydrophobicContact CD1-CG2 4.16Å; L258-I287 HydrophobicContact CD2-CG2 4.22Å; L258-I287 HydrophobicContact CG-CG2 4.21Å; L258-P289 HydrophobicContact CB-CB 4.49Å; L258-F389 HydrophobicContact CD1-CD2 3.99Å; L258-F389 HydrophobicContact CD1-CE2 4.33Å; L258-F389 HydrophobicContact CD2-CD2 4.19Å; L258-F389 HydrophobicContact CD2-CE2 3.84Å; L258-F389 HydrophobicContact CD2-CZ 4.45Å; L258-F389 HydrophobicContact CG-CD2 4.23Å; L258-F389 HydrophobicContact CG-CE2 4.38Å; L258-L502 HydrophobicContact CD2-CD2 4.38Å
259	L	98.2	Very high	97.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-40	172.6	-165.5	71.5	0	0	0	111.9	H188 M193 I196 L197 G255 Q256 A262 Q263	H188-L259 HydrophobicContact CB-CD2 4.2Å; M193-L259 HydrophobicContact CG-CD2 4.09Å; I196-L259 HydrophobicContact CB-CD1 4.07Å; I196-L259 HydrophobicContact CB-CD2 4.38Å; I196-L259 HydrophobicContact CB-CG 4.45Å; I196-L259 HydrophobicContact CD1-CD2 3.78Å; I196-L259 HydrophobicContact CG2-CD1 3.69Å; I196-L259 HydrophobicContact CG2-CD2 4.13Å; I196-L259 HydrophobicContact CG2-CG 3.81Å; L197-L259 HydrophobicContact CD2-CD1 3.73Å; L197-L259 HydrophobicContact CG-CD1 3.93Å; G255-L259 PolarHBondContact O-N 2.91Å; Q256-L259 WeakPolarHBondContact O-CB 3.3Å; Q256-L259 PolarHBondContact O-N 3.11Å; Q256-L259 VanDerWaalsContact O-N 3.11Å; L259-A262 PolarHBondContact O-N 3.1Å; L259-Q263 PolarHBondContact O-N 3.24Å; L259-Q263 PolarHBondContact O-NE2 3.42Å
260	Y	98.3	Very high	97.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.2	-40	174.2	-53.3	-29.9	0	0	0	111.5	I183 Q184 F185 T186 Q256 L257 A262 Q263 Y264 W495	I183-Y260 HydrophobicContact CG2-CD1 3.51Å; I183-Y260 HydrophobicContact CG2-CE1 4.16Å; I183-Y260 HydrophobicContact CG2-CG 4.04Å; Q184-Y260 VanDerWaalsContact O-CE1 3.26Å; Q184-Y260 WeakPolarHBondContact O-CE1 3.39Å; F185-Y260 WeakPolarHBondContact CA-OH 3.45Å; F185-Y260 AromaticContact CD1-CD2 3.87Å; F185-Y260 HydrophobicContact CD1-CD2 3.87Å; F185-Y260 HydrophobicContact CD1-CE1 4.3Å; F185-Y260 AromaticContact CD1-CE2 3.63Å; F185-Y260 HydrophobicContact CD1-CE2 3.63Å; F185-Y260 HydrophobicContact CD1-CG 4.33Å; F185-Y260 AromaticContact CD1-CZ 3.86Å; F185-Y260 AromaticContact CE1-CD2 3.89Å; F185-Y260 HydrophobicContact CE1-CD2 3.89Å; F185-Y260 HydrophobicContact CE1-CE2 4.15Å; F185-Y260 HydrophobicContact CE1-CG 4.14Å; T186-Y260 PolarHBondContact N-OH 3.36Å; T186-Y260 PolarHBondContact O-OH 3.44Å; Q256-Y260 HydrophobicContact CB-CE2 3.97Å; Q256-Y260 WeakPolarHBondContact O-CD1 3.36Å; Q256-Y260 WeakPolarHBondContact O-CD2 3.18Å; Q256-Y260 PolarHBondContact O-N 2.98Å; L257-Y260 HydrophobicContact CD2-CD2 4.2Å; L257-Y260 PolarHBondContact O-N 2.87Å; Y260-A262 VanDerWaalsContact C-N 3.34Å; Y260-A262 PolarHBondContact O-N 3.05Å; Y260-Q263 PolarHBondContact O-N 3.24Å; Y260-Y264 VanDerWaalsContact O-CB 3.29Å; Y260-Y264 WeakPolarHBondContact O-CB 3.33Å; Y260-Y264 PolarHBondContact O-N 2.68Å; Y260-W495 HydrophobicContact CD2-CB 4.24Å; Y260-W495 HydrophobicContact CD2-CD2 4.46Å; Y260-W495 HydrophobicContact CD2-CE3 4.19Å; Y260-W495 HydrophobicContact CD2-CG 4.5Å; Y260-W495 HydrophobicContact CG-CE3 4.43Å
261	L	98.7	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-43.4	175.2	179.6	64.6	0	0	0	111.9	L243 L257 L258 Q263 Y264 L265 I287 W495 L502 I503 I506	L243-L261 HydrophobicContact CD1-CD2 3.48Å; L243-L261 VanDerWaalsContact CD1-CD2 3.48Å; L257-L261 WeakPolarHBondContact O-CB 3.48Å; L257-L261 PolarHBondContact O-N 2.85Å; L258-L261 HydrophobicContact CD2-CD2 4.15Å; L258-L261 PolarHBondContact O-N 2.94Å; L261-Q263 PolarHBondContact O-N 3.43Å; L261-Y264 HydrophobicContact CD1-CD1 4.45Å; L261-Y264 PolarHBondContact O-N 2.73Å; L261-L265 HydrophobicContact CD1-CD1 4.29Å; L261-L265 HydrophobicContact CD1-CD2 4.41Å; L261-L265 HydrophobicContact CD1-CG 4.05Å; L261-L265 HydrophobicContact CG-CD1 4.1Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.12Å; L261-L265 PolarHBondContact O-N 3.15Å; L261-I287 HydrophobicContact CD2-CD1 4.01Å; L261-I287 HydrophobicContact CG-CD1 4.16Å; L261-W495 HydrophobicContact CB-CH2 4.16Å; L261-W495 HydrophobicContact CB-CZ3 4.02Å; L261-W495 HydrophobicContact CD1-CH2 4.25Å; L261-L502 HydrophobicContact CD1-CB 4.46Å; L261-L502 HydrophobicContact CD2-CB 4.41Å; L261-L502 HydrophobicContact CD2-CD1 4.47Å; L261-L502 HydrophobicContact CD2-CD2 4.42Å; L261-I503 HydrophobicContact CD1-CD1 3.84Å; L261-I506 HydrophobicContact CD2-CD1 4.22Å
262	A	98.6	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-47.7	177.1	0	0	0	0	0	111.9	L197 I225 F227 L258 L259 Y260 C266 I287	L197-A262 HydrophobicContact CD2-CB 4.2Å; I225-A262 HydrophobicContact CG2-CB 3.97Å; F227-A262 HydrophobicContact CE2-CB 4.01Å; F227-A262 HydrophobicContact CZ-CB 4.24Å; F227-A262 VanDerWaalsContact CZ-O 3.25Å; F227-A262 WeakPolarHBondContact CZ-O 3.35Å; L258-A262 PolarHBondContact O-N 3Å; L259-A262 PolarHBondContact O-N 3.1Å; Y260-A262 VanDerWaalsContact C-N 3.34Å; Y260-A262 PolarHBondContact O-N 3.05Å; A262-C266 PolarHBondContact O-N 3.11Å; A262-I287 HydrophobicContact CB-CD1 4.43Å
263	Q	98	Very high	97.4	Very high	39 Å²	39	24.2 Å²	24.2	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-41.4	176.6	-68.7	172.2	88.5	0	0	111.9	I183 I196 L259 Y260 L261 C266 A267	I183-Q263 HydrophobicContact CD1-CB 4.04Å; I183-Q263 HydrophobicContact CG1-CB 4.02Å; I196-Q263 HydrophobicContact CG2-CG 4.09Å; L259-Q263 PolarHBondContact O-N 3.24Å; L259-Q263 PolarHBondContact O-NE2 3.42Å; Y260-Q263 PolarHBondContact O-N 3.24Å; L261-Q263 PolarHBondContact O-N 3.43Å; Q263-C266 PolarHBondContact O-N 3.3Å; Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 2.92Å
264	Y	97.9	Very high	97.5	Very high	35 Å²	35	31.5 Å²	31.5	14%	0.137	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-48.2	178	175.9	-102.7	0	0	0	112.2	Y260 L261 C266 A267 E268 I276 W495 Q499 I503	Y260-Y264 VanDerWaalsContact O-CB 3.29Å; Y260-Y264 WeakPolarHBondContact O-CB 3.33Å; Y260-Y264 PolarHBondContact O-N 2.68Å; L261-Y264 HydrophobicContact CD1-CD1 4.45Å; L261-Y264 PolarHBondContact O-N 2.73Å; Y264-C266 VanDerWaalsContact C-N 3.31Å; Y264-C266 PolarHBondContact O-N 2.85Å; Y264-A267 PolarHBondContact O-N 2.85Å; Y264-E268 HydrophobicContact CD1-CG 4.31Å; Y264-E268 HydrophobicContact CD2-CG 3.67Å; Y264-E268 HydrophobicContact CE1-CG 3.97Å; Y264-E268 HydrophobicContact CE2-CG 3.24Å; Y264-E268 HydrophobicContact CG-CG 4.18Å; Y264-E268 VanDerWaalsContact CZ-CG 3.4Å; Y264-E268 WeakPolarHBondContact O-CB 3.21Å; Y264-E268 VanDerWaalsContact O-CG 3.3Å; Y264-E268 WeakPolarHBondContact O-CG 3.21Å; Y264-E268 PolarHBondContact O-N 3.13Å; Y264-I276 HydrophobicContact CE1-CD1 3.98Å; Y264-I276 HydrophobicContact CE1-CG1 4.36Å; Y264-W495 HydrophobicContact CD1-CH2 4.37Å; Y264-W495 HydrophobicContact CD1-CZ2 4.32Å; Y264-W495 HydrophobicContact CD2-CZ2 4.12Å; Y264-W495 HydrophobicContact CG-CH2 4.16Å; Y264-W495 AromaticContact CG-CZ2 3.82Å; Y264-W495 HydrophobicContact CG-CZ2 3.82Å; Y264-Q499 PolarHBondContact OH-NE2 2.75Å; Y264-I503 HydrophobicContact CD1-CD1 4.39Å; Y264-I503 HydrophobicContact CE1-CD1 4.08Å; Y264-I503 HydrophobicContact CE1-CG1 4.32Å
265	L	98.4	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.3	-45.9	177.7	-73.8	176.4	0	0	0	111.4	F227 L261 Y269 I276 I280 I285 I287 I503	F227-L265 HydrophobicContact CD1-CB 4.37Å; F227-L265 HydrophobicContact CD2-CD1 4.07Å; F227-L265 HydrophobicContact CE1-CB 4.21Å; F227-L265 HydrophobicContact CE2-CD1 4.34Å; F227-L265 HydrophobicContact CG-CD1 4.37Å; F227-L265 HydrophobicContact CZ-CB 4.32Å; L261-L265 HydrophobicContact CD1-CD1 4.29Å; L261-L265 HydrophobicContact CD1-CD2 4.41Å; L261-L265 HydrophobicContact CD1-CG 4.05Å; L261-L265 HydrophobicContact CG-CD1 4.1Å; L261-L265 HydrophobicContact CG-CG 4.28Å; L261-L265 WeakPolarHBondContact O-CB 3.47Å; L261-L265 VanDerWaalsContact O-CG 3.27Å; L261-L265 WeakPolarHBondContact O-CG 3.12Å; L261-L265 PolarHBondContact O-N 3.15Å; L265-Y269 VanDerWaalsContact O-CB 3.23Å; L265-Y269 WeakPolarHBondContact O-CB 3.48Å; L265-Y269 PolarHBondContact O-N 2.93Å; L265-Y269 VanDerWaalsContact O-N 3.09Å; L265-I276 HydrophobicContact CD2-CD1 4.2Å; L265-I276 HydrophobicContact CD2-CG2 3.91Å; L265-I280 HydrophobicContact CB-CD1 4.15Å; L265-I280 HydrophobicContact CD2-CD1 4.45Å; L265-I285 HydrophobicContact CD1-CD1 4.4Å; L265-I287 HydrophobicContact CD1-CD1 4.08Å; L265-I503 HydrophobicContact CD2-CD1 4.14Å
266	C	97.8	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-52.5	176.3	-168.3	0	0	0	0	111.8	T200 C204 F227 A262 Q263 Y264 Y269 L270	T200-C266 HydrophobicContact CG2-CB 3.76Å; C204-C266 HydrophobicContact CB-CB 4.2Å; C204-C266 WeakPolarHBondContact CB-SG 3.47Å; C204-C266 WeakPolarHBondContact SG-CB 3.16Å; C204-C266 CovalentContact SG-SG 2.04Å; C204-C266 PolarHBondContact SG-SG 2.83Å; F227-C266 HydrophobicContact CE1-CB 4.13Å; F227-C266 HydrophobicContact CZ-CB 4.49Å; A262-C266 PolarHBondContact O-N 3.11Å; Q263-C266 PolarHBondContact O-N 3.3Å; Y264-C266 VanDerWaalsContact C-N 3.31Å; Y264-C266 PolarHBondContact O-N 2.85Å; C266-Y269 PolarHBondContact O-N 3.29Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 3.03Å; C266-L270 VanDerWaalsContact O-N 3.16Å
267	A	96.2	Very high	97.6	Very high	17 Å²	17	38.5 Å²	38.5	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-45.3	-176.1	0	0	0	0	0	112.6	A180 Q263 Y264 L270 Q271	A180-A267 HydrophobicContact CB-CB 4.33Å; Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 2.92Å; Y264-A267 PolarHBondContact O-N 2.85Å; A267-L270 PolarHBondContact O-N 2.85Å; A267-Q271 WeakPolarHBondContact O-CB 3.4Å; A267-Q271 VanDerWaalsContact O-CG 3.26Å; A267-Q271 WeakPolarHBondContact O-CG 3.42Å; A267-Q271 PolarHBondContact O-N 3.22Å; A267-Q271 PolarHBondContact O-NE2 2.91Å
268	E	96.8	Very high	97.5	Very high	40 Å²	40	42.4 Å²	42.4	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-35.6	-179.6	-69.6	-66.8	138.9	0	0	112.5	Y264 Q271 G272 N273 I276	Y264-E268 HydrophobicContact CD1-CG 4.31Å; Y264-E268 HydrophobicContact CD2-CG 3.67Å; Y264-E268 HydrophobicContact CE1-CG 3.97Å; Y264-E268 HydrophobicContact CE2-CG 3.24Å; Y264-E268 HydrophobicContact CG-CG 4.18Å; Y264-E268 VanDerWaalsContact CZ-CG 3.4Å; Y264-E268 WeakPolarHBondContact O-CB 3.21Å; Y264-E268 VanDerWaalsContact O-CG 3.3Å; Y264-E268 WeakPolarHBondContact O-CG 3.21Å; Y264-E268 PolarHBondContact O-N 3.13Å; E268-Q271 PolarHBondContact O-N 2.79Å; E268-G272 PolarHBondContact O-N 3Å; E268-N273 HydrophobicContact CB-CB 3.94Å; E268-N273 VanDerWaalsContact O-CB 3.32Å; E268-N273 WeakPolarHBondContact O-CB 3.26Å; E268-N273 PolarHBondContact O-N 3.05Å; E268-N273 WeakPolarHBondContact OE2-CB 3.32Å; E268-N273 PolarHBondContact OE2-ND2 2.88Å; E268-I276 HydrophobicContact CB-CB 4.05Å; E268-I276 HydrophobicContact CB-CG1 3.76Å; E268-I276 HydrophobicContact CB-CG2 4.11Å; E268-I276 HydrophobicContact CG-CG1 4.34Å
269	Y	97.2	Very high	97.5	Very high	45 Å²	45	42.8 Å²	42.8	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-46.6	174.8	-170.9	-82.7	0	0	0	111.1	I207 L265 C266 Q271 G272 Q277 I280 N281	I207-Y269 HydrophobicContact CD1-CD1 3.52Å; I207-Y269 HydrophobicContact CD1-CD2 3.81Å; I207-Y269 HydrophobicContact CD1-CE1 4.04Å; I207-Y269 HydrophobicContact CD1-CE2 4.26Å; I207-Y269 HydrophobicContact CD1-CG 3.4Å; I207-Y269 VanDerWaalsContact CD1-CG 3.4Å; I207-Y269 HydrophobicContact CG1-CD1 4.38Å; I207-Y269 HydrophobicContact CG2-CD1 4.36Å; I207-Y269 HydrophobicContact CG2-CE1 3.71Å; I207-Y269 HydrophobicContact CG2-CE2 4.24Å; L265-Y269 VanDerWaalsContact O-CB 3.23Å; L265-Y269 WeakPolarHBondContact O-CB 3.48Å; L265-Y269 PolarHBondContact O-N 2.93Å; L265-Y269 VanDerWaalsContact O-N 3.09Å; C266-Y269 PolarHBondContact O-N 3.29Å; Y269-Q271 VanDerWaalsContact C-N 3.3Å; Y269-Q271 PolarHBondContact O-N 3.13Å; Y269-G272 PolarHBondContact O-N 2.85Å; Y269-G272 VanDerWaalsContact O-N 3.14Å; Y269-Q277 HydrophobicContact CD2-CB 4.13Å; Y269-Q277 HydrophobicContact CD2-CG 3.64Å; Y269-Q277 HydrophobicContact CE2-CB 4.05Å; Y269-Q277 HydrophobicContact CE2-CG 3.81Å; Y269-Q277 HydrophobicContact CG-CG 4.03Å; Y269-Q277 PolarHBondContact O-NE2 3.21Å; Y269-I280 HydrophobicContact CD2-CB 4.03Å; Y269-I280 HydrophobicContact CD2-CD1 3.83Å; Y269-I280 HydrophobicContact CD2-CG1 4.4Å; Y269-I280 HydrophobicContact CD2-CG2 4.23Å; Y269-I280 HydrophobicContact CE2-CB 4.05Å; Y269-I280 HydrophobicContact CE2-CG2 4.04Å; Y269-I280 HydrophobicContact CG-CD1 4.39Å; Y269-N281 WeakPolarHBondContact CE2-OD1 3.49Å; Y269-N281 PolarHBondContact OH-OD1 3.2Å
270	L	95.3	Very high	97.5	Very high	101 Å²	101	42.8 Å²	42.8	53%	0.529	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-32.4	177.6	-68.5	175.5	0	0	0	112.6	Q203 C266 A267 G272	Q203-L270 HydrophobicContact CG-CD1 3.95Å; C266-L270 WeakPolarHBondContact O-CG 3.41Å; C266-L270 PolarHBondContact O-N 3.03Å; C266-L270 VanDerWaalsContact O-N 3.16Å; A267-L270 PolarHBondContact O-N 2.85Å; L270-G272 PolarHBondContact O-N 3.2Å
271	Q	95.6	Very high	97.4	Very high	138 Å²	138	45.7 Å²	45.7	65%	0.645	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.5	175.4	-73.8	175.6	51.9	0	0	113.9	A267 E268 Y269	A267-Q271 WeakPolarHBondContact O-CB 3.4Å; A267-Q271 VanDerWaalsContact O-CG 3.26Å; A267-Q271 WeakPolarHBondContact O-CG 3.42Å; A267-Q271 PolarHBondContact O-N 3.22Å; A267-Q271 PolarHBondContact O-NE2 2.91Å; E268-Q271 PolarHBondContact O-N 2.79Å; Y269-Q271 VanDerWaalsContact C-N 3.3Å; Y269-Q271 PolarHBondContact O-N 3.13Å
272	G	95.8	Very high	97.4	Very high	37 Å²	37	49.4 Å²	49.4	38%	0.381	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	23.1	179.3	0	0	0	0	0	114.5	E268 Y269 L270 E274	E268-G272 PolarHBondContact O-N 3Å; Y269-G272 PolarHBondContact O-N 2.85Å; Y269-G272 VanDerWaalsContact O-N 3.14Å; L270-G272 PolarHBondContact O-N 3.2Å; G272-E274 PolarHBondContact O-N 3.45Å; G272-E274 VanDerWaalsContact O-N 3.07Å
273	N	97.6	Very high	97.3	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	25%	0.252	S	S	.	.			trans	-65.6	108.8	175.1	-176.3	-37	0	0	0	110.4	E268 R275 I276 Q277	E268-N273 HydrophobicContact CB-CB 3.94Å; E268-N273 VanDerWaalsContact O-CB 3.32Å; E268-N273 WeakPolarHBondContact O-CB 3.26Å; E268-N273 PolarHBondContact O-N 3.05Å; E268-N273 WeakPolarHBondContact OE2-CB 3.32Å; E268-N273 PolarHBondContact OE2-ND2 2.88Å; N273-R275 VanDerWaalsContact C-N 3.26Å; N273-R275 PolarHBondContact O-N 3.4Å; N273-R275 WeakPolarHBondContact OD1-CB 3.46Å; N273-R275 PolarHBondContact OD1-N 2.8Å; N273-I276 HydrophobicContact CB-CB 4.28Å; N273-I276 HydrophobicContact CB-CG1 4.29Å; N273-I276 PolarHBondContact O-N 3.1Å; N273-I276 VanDerWaalsContact O-N 3.16Å; N273-I276 PolarHBondContact OD1-N 3.37Å; N273-Q277 WeakPolarHBondContact O-CG 3.37Å; N273-Q277 PolarHBondContact O-N 3.27Å
274	E	98	Very high	97.4	Very high	159 Å²	159	48.4 Å²	48.4	74%	0.743	25%	0.247	S	C	*	.	H	α-helix	trans	-57.5	-34.8	-175.5	-65.9	-174.5	171.6	0	0	113.6	G272 T278	G272-E274 PolarHBondContact O-N 3.45Å; G272-E274 VanDerWaalsContact O-N 3.07Å; E274-T278 VanDerWaalsContact O-CB 3.23Å; E274-T278 WeakPolarHBondContact O-CB 3.12Å; E274-T278 PolarHBondContact O-N 2.79Å; E274-T278 PolarHBondContact O-OG1 3.01Å
275	R	97.4	Very high	97.4	Very high	86 Å²	86	46.8 Å²	46.8	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-49.1	178.7	-175.2	-176.2	-176.9	-172.5	2.9	110.2	N273 T278 L279 E500 I503 E507	N273-R275 VanDerWaalsContact C-N 3.26Å; N273-R275 PolarHBondContact O-N 3.4Å; N273-R275 WeakPolarHBondContact OD1-CB 3.46Å; N273-R275 PolarHBondContact OD1-N 2.8Å; R275-T278 PolarHBondContact O-N 3.46Å; R275-L279 WeakPolarHBondContact O-CB 3.43Å; R275-L279 PolarHBondContact O-N 3.31Å; R275-E500 IonicContact CZ-OE1 3.29Å; R275-E500 IonicContact CZ-OE2 3.52Å; R275-E500 VanDerWaalsContact NH1-CD 3.31Å; R275-E500 IonicContact NH1-OE1 3.87Å; R275-E500 PolarHBondContact NH1-OE1 3.02Å; R275-E500 IonicContact NH1-OE2 3.97Å; R275-E500 PolarHBondContact NH1-OE2 2.8Å; R275-E500 IonicContact NH2-OE1 2.81Å; R275-E500 PolarHBondContact NH2-OE1 3.19Å; R275-E500 IonicContact NH2-OE2 2.68Å; R275-I503 VanDerWaalsContact CZ-CG2 3.46Å; R275-E507 IonicContact CZ-OE1 3.93Å; R275-E507 IonicContact CZ-OE2 3.78Å; R275-E507 IonicContact NE-OE1 3.84Å; R275-E507 PolarHBondContact NE-OE1 2.52Å; R275-E507 IonicContact NE-OE2 3.33Å; R275-E507 IonicContact NH2-OE1 3.32Å; R275-E507 PolarHBondContact NH2-OE1 2.97Å; R275-E507 IonicContact NH2-OE2 3.02Å; R275-E507 PolarHBondContact NH2-OE2 3.2Å
276	I	98.4	Very high	97.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-179.1	-58.7	-53.8	0	0	0	111.3	Y264 L265 E268 N273 T278 L279 I280 I503	Y264-I276 HydrophobicContact CE1-CD1 3.98Å; Y264-I276 HydrophobicContact CE1-CG1 4.36Å; L265-I276 HydrophobicContact CD2-CD1 4.2Å; L265-I276 HydrophobicContact CD2-CG2 3.91Å; E268-I276 HydrophobicContact CB-CB 4.05Å; E268-I276 HydrophobicContact CB-CG1 3.76Å; E268-I276 HydrophobicContact CB-CG2 4.11Å; E268-I276 HydrophobicContact CG-CG1 4.34Å; N273-I276 HydrophobicContact CB-CB 4.28Å; N273-I276 HydrophobicContact CB-CG1 4.29Å; N273-I276 PolarHBondContact O-N 3.1Å; N273-I276 VanDerWaalsContact O-N 3.16Å; N273-I276 PolarHBondContact OD1-N 3.37Å; I276-T278 PolarHBondContact O-N 3.11Å; I276-L279 HydrophobicContact CD1-CD2 4.49Å; I276-L279 WeakPolarHBondContact O-CB 3.42Å; I276-L279 PolarHBondContact O-N 3.42Å; I276-I280 HydrophobicContact CG2-CD1 3.93Å; I276-I280 HydrophobicContact CG2-CG1 4.39Å; I276-I280 PolarHBondContact O-N 3.37Å; I276-I503 HydrophobicContact CD1-CD1 3.86Å; I276-I503 HydrophobicContact CD1-CG1 4.42Å; I276-I503 HydrophobicContact CD1-CG2 4.37Å
277	Q	98.1	Very high	97.5	Very high	61 Å²	61	46.8 Å²	46.8	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-45	173.7	-71.8	-168.6	-15.7	0	0	111.7	Y269 N273 L279 N281	Y269-Q277 HydrophobicContact CD2-CB 4.13Å; Y269-Q277 HydrophobicContact CD2-CG 3.64Å; Y269-Q277 HydrophobicContact CE2-CB 4.05Å; Y269-Q277 HydrophobicContact CE2-CG 3.81Å; Y269-Q277 HydrophobicContact CG-CG 4.03Å; Y269-Q277 PolarHBondContact O-NE2 3.21Å; N273-Q277 WeakPolarHBondContact O-CG 3.37Å; N273-Q277 PolarHBondContact O-N 3.27Å; Q277-L279 VanDerWaalsContact C-N 3.29Å; Q277-L279 PolarHBondContact O-N 3.31Å; Q277-N281 WeakPolarHBondContact O-CB 3.31Å; Q277-N281 PolarHBondContact O-N 3.11Å; Q277-N281 PolarHBondContact O-ND2 3.19Å
278	T	97.3	Very high	97.6	Very high	84 Å²	84	46 Å²	46	52%	0.515	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-40.5	175.3	-59.9	0	0	0	0	111.2	E274 R275 I276 N282	E274-T278 VanDerWaalsContact O-CB 3.23Å; E274-T278 WeakPolarHBondContact O-CB 3.12Å; E274-T278 PolarHBondContact O-N 2.79Å; E274-T278 PolarHBondContact O-OG1 3.01Å; R275-T278 PolarHBondContact O-N 3.46Å; I276-T278 PolarHBondContact O-N 3.11Å; T278-N282 WeakPolarHBondContact O-CB 3.48Å; T278-N282 PolarHBondContact O-N 2.87Å; T278-N282 PolarHBondContact O-ND2 3.17Å
279	L	97.7	Very high	97.7	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-52.9	179.9	-164.6	62.1	0	0	0	111.6	R275 I276 Q277 N282 T283 I285 I503 I506 E507	R275-L279 WeakPolarHBondContact O-CB 3.43Å; R275-L279 PolarHBondContact O-N 3.31Å; I276-L279 HydrophobicContact CD1-CD2 4.49Å; I276-L279 WeakPolarHBondContact O-CB 3.42Å; I276-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact C-N 3.29Å; Q277-L279 PolarHBondContact O-N 3.31Å; L279-N282 PolarHBondContact O-N 3.45Å; L279-T283 WeakPolarHBondContact O-CB 3.05Å; L279-T283 PolarHBondContact O-N 2.79Å; L279-T283 PolarHBondContact O-OG1 2.68Å; L279-I285 HydrophobicContact CD2-CD1 4.45Å; L279-I285 HydrophobicContact CG-CD1 4.22Å; L279-I503 HydrophobicContact CD2-CD1 4.4Å; L279-I503 HydrophobicContact CD2-CG2 4.1Å; L279-I506 HydrophobicContact CD1-CB 4.37Å; L279-I506 HydrophobicContact CD1-CG2 3.6Å; L279-I506 HydrophobicContact CD2-CB 4.19Å; L279-I506 HydrophobicContact CD2-CD1 4.42Å; L279-I506 HydrophobicContact CD2-CG2 3.72Å; L279-I506 HydrophobicContact CG-CG2 3.72Å; L279-E507 HydrophobicContact CD1-CG 3.64Å
280	I	98.4	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-35.8	-178.9	-66.1	-179.7	0	0	0	111.6	I207 F227 S229 L265 Y269 I276 N282 T283 I285	I207-I280 HydrophobicContact CB-CG2 4.18Å; I207-I280 HydrophobicContact CD1-CD1 3.94Å; I207-I280 HydrophobicContact CD1-CG2 4.31Å; F227-I280 HydrophobicContact CB-CD1 4.29Å; F227-I280 HydrophobicContact CB-CG1 4.34Å; F227-I280 HydrophobicContact CB-CG2 4.41Å; F227-I280 HydrophobicContact CD1-CD1 4.08Å; F227-I280 HydrophobicContact CG-CD1 4.49Å; S229-I280 PolarHBondContact N-O 3.29Å; L265-I280 HydrophobicContact CB-CD1 4.15Å; L265-I280 HydrophobicContact CD2-CD1 4.45Å; Y269-I280 HydrophobicContact CD2-CB 4.03Å; Y269-I280 HydrophobicContact CD2-CD1 3.83Å; Y269-I280 HydrophobicContact CD2-CG1 4.4Å; Y269-I280 HydrophobicContact CD2-CG2 4.23Å; Y269-I280 HydrophobicContact CE2-CB 4.05Å; Y269-I280 HydrophobicContact CE2-CG2 4.04Å; Y269-I280 HydrophobicContact CG-CD1 4.39Å; I276-I280 HydrophobicContact CG2-CD1 3.93Å; I276-I280 HydrophobicContact CG2-CG1 4.39Å; I276-I280 PolarHBondContact O-N 3.37Å; I280-N282 PolarHBondContact O-N 3Å; I280-T283 VanDerWaalsContact O-O 3.1Å; I280-I285 HydrophobicContact CG1-CD1 4.41Å
281	N	97.3	Very high	97.9	Very high	61 Å²	61	37.8 Å²	37.8	33%	0.326	20%	0.196	S	C	.	.	H	α-helix	trans	-74.7	-11.2	-179.3	-68.3	-17	0	0	0	114.1	Y269 Q277	Y269-N281 WeakPolarHBondContact CE2-OD1 3.49Å; Y269-N281 PolarHBondContact OH-OD1 3.2Å; Q277-N281 WeakPolarHBondContact O-CB 3.31Å; Q277-N281 PolarHBondContact O-N 3.11Å; Q277-N281 PolarHBondContact O-ND2 3.19Å
282	N	97.1	Very high	98.1	Very high	79 Å²	79	31.2 Å²	31.2	42%	0.422	17%	0.165	S	C	.	.	H	α-helix	trans	-125.3	2.9	-178.3	-66.4	-84.3	0	0	0	113	P239 T278 L279 I280 H510	P239-N282 WeakPolarHBondContact CD-O 3.23Å; T278-N282 WeakPolarHBondContact O-CB 3.48Å; T278-N282 PolarHBondContact O-N 2.87Å; T278-N282 PolarHBondContact O-ND2 3.17Å; L279-N282 PolarHBondContact O-N 3.45Å; I280-N282 PolarHBondContact O-N 3Å; N282-H510 PolarHBondContact O-CE1 3.23Å
283	T	98.1	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-143.7	137.1	-175	-36.8	0	0	0	0	108.5	P239 M241 L279 I280 I285 H510	P239-T283 HydrophobicContact CG-CG2 4.41Å; M241-T283 HydrophobicContact CG-CG2 3.86Å; L279-T283 WeakPolarHBondContact O-CB 3.05Å; L279-T283 PolarHBondContact O-N 2.79Å; L279-T283 PolarHBondContact O-OG1 2.68Å; I280-T283 VanDerWaalsContact O-O 3.1Å; T283-I285 HydrophobicContact CG2-CG1 3.91Å; T283-H510 PolarHBondContact OG1-NE2 3.2Å
284	R	98.6	Very high	98.1	Very high	18 Å²	18	27.4 Å²	27.4	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.7	167.1	-174	164.8	171.1	-143.8	15.2	109.6	E226 F227 G232 E238 P239 E240 M241	E226-R284 IonicContact OE1-NH2 3.53Å; E226-R284 IonicContact OE2-CZ 3.18Å; E226-R284 IonicContact OE2-NE 2.74Å; E226-R284 PolarHBondContact OE2-NE 3.28Å; E226-R284 IonicContact OE2-NH2 3.48Å; E226-R284 PolarHBondContact OE2-NH2 2.87Å; F227-R284 WeakPolarHBondContact O-CA 3.29Å; G232-R284 VanDerWaalsContact C-NH2 3.27Å; G232-R284 PolarHBondContact O-NH2 3.38Å; E238-R284 HydrophobicContact CG-CB 4.34Å; E238-R284 WeakPolarHBondContact OE1-CB 3.37Å; P239-R284 PolarHBondContact O-N 3.03Å; P239-R284 VanDerWaalsContact O-N 3.13Å; E240-R284 WeakPolarHBondContact OE1-CD 3.4Å; E240-R284 IonicContact OE1-CZ 3.83Å; E240-R284 IonicContact OE1-NH1 3.76Å; E240-R284 PolarHBondContact OE1-NH1 2.97Å; E240-R284 WeakPolarHBondContact OE2-CB 3.39Å; E240-R284 WeakPolarHBondContact OE2-CD 3.37Å; E240-R284 WeakPolarHBondContact OE2-CG 3.1Å; E240-R284 IonicContact OE2-NE 2.77Å; E240-R284 IonicContact OE2-NH1 3.79Å; M241-R284 PolarHBondContact N-O 3.28Å
285	I	98.9	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.5	-170.4	-52	167.4	0	0	0	108.1	E226 F227 M241 L265 L279 I280 T283 I287 I506	E226-I285 CarbonylContact C-O 3.53Å; E226-I285 WeakPolarHBondContact CA-O 3.22Å; F227-I285 HydrophobicContact CB-CB 4.44Å; F227-I285 PolarHBondContact N-O 2.8Å; F227-I285 PolarHBondContact O-N 3.17Å; M241-I285 HydrophobicContact CE-CG2 4.16Å; M241-I285 HydrophobicContact CG-CB 4.5Å; M241-I285 HydrophobicContact CG-CG1 4.28Å; M241-I285 HydrophobicContact CG-CG2 4.42Å; M241-I285 HydrophobicContact SD-CG1 4.49Å; M241-I285 HydrophobicContact SD-CG2 4.19Å; L265-I285 HydrophobicContact CD1-CD1 4.4Å; L279-I285 HydrophobicContact CD2-CD1 4.45Å; L279-I285 HydrophobicContact CG-CD1 4.22Å; I280-I285 HydrophobicContact CG1-CD1 4.41Å; T283-I285 HydrophobicContact CG2-CG1 3.91Å; I285-I287 HydrophobicContact CG2-CD1 4.43Å; I285-I287 HydrophobicContact CG2-CG1 4.14Å; I285-I506 HydrophobicContact CD1-CD1 4.49Å; I285-I506 HydrophobicContact CD1-CG2 3.73Å; I285-I506 HydrophobicContact CG1-CG2 4.01Å
286	H	98.9	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	176.2	-60.5	-97.7	0	0	0	111.4	Y211 V224 E226 E240 M241 K242 L243 W377 F383	Y211-H286 AromaticContact CE1-ND1 3.72Å; Y211-H286 AromaticContact CZ-ND1 3.68Å; Y211-H286 PolarHBondContact OH-ND1 3.11Å; V224-H286 HydrophobicContact CG1-CB 4.01Å; E226-H286 IonicContact OE2-CE1 3.82Å; E226-H286 PolarHBondContact OE2-CE1 3.13Å; E226-H286 VanDerWaalsContact OE2-CE1 3.29Å; E226-H286 IonicContact OE2-ND1 3.53Å; E240-H286 IonicContact OE2-CD2 3.28Å; E240-H286 IonicContact OE2-NE2 3.45Å; E240-H286 PolarHBondContact OE2-NE2 3.3Å; M241-H286 PolarHBondContact O-N 3.33Å; K242-H286 CarbonylContact C-O 3.46Å; K242-H286 WeakPolarHBondContact CA-O 3.4Å; K242-H286 HydrophobicContact CB-CB 4.18Å; L243-H286 PolarHBondContact N-O 3.32Å; H286-W377 HydrophobicContact CB-CH2 4.34Å; H286-W377 HydrophobicContact CB-CZ2 3.68Å; H286-F383 HydrophobicContact CB-CE1 4.2Å; H286-F383 HydrophobicContact CB-CZ 4.42Å; H286-F383 AromaticContact CD2-CE1 3.52Å; H286-F383 AromaticContact CG-CE1 3.96Å
287	I	98.9	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.4	-176.1	-56.9	177.2	0	0	0	108.9	V224 I225 F227 L258 L261 A262 L265 I285 P289	V224-I287 VanDerWaalsContact CA-O 3.32Å; V224-I287 WeakPolarHBondContact CA-O 3.34Å; V224-I287 WeakPolarHBondContact CG1-O 3.26Å; I225-I287 HydrophobicContact CG2-CB 3.86Å; I225-I287 PolarHBondContact N-O 3.24Å; I225-I287 PolarHBondContact O-N 2.93Å; F227-I287 HydrophobicContact CD2-CD1 4.41Å; F227-I287 HydrophobicContact CE2-CD1 4.36Å; L258-I287 HydrophobicContact CB-CG2 3.64Å; L258-I287 HydrophobicContact CD1-CG2 4.16Å; L258-I287 HydrophobicContact CD2-CG2 4.22Å; L258-I287 HydrophobicContact CG-CG2 4.21Å; L261-I287 HydrophobicContact CD2-CD1 4.01Å; L261-I287 HydrophobicContact CG-CD1 4.16Å; A262-I287 HydrophobicContact CB-CD1 4.43Å; L265-I287 HydrophobicContact CD1-CD1 4.08Å; I285-I287 HydrophobicContact CG2-CD1 4.43Å; I285-I287 HydrophobicContact CG2-CG1 4.14Å; I287-P289 HydrophobicContact CG2-CG 4.28Å; I287-P289 WeakPolarHBondContact O-CD 3.23Å
288	L	98.9	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	97.4	171.1	177.1	58.9	0	0	0	108.6	I213 L222 L223 V224 L243 V244 G245 S290 M291 V374 W377	I213-L288 HydrophobicContact CD1-CD2 3.78Å; L222-L288 HydrophobicContact CB-CD1 4.28Å; L223-L288 WeakPolarHBondContact O-CD1 3.31Å; V224-L288 HydrophobicContact CG2-CB 4.09Å; V224-L288 HydrophobicContact CG2-CD1 3.97Å; L243-L288 PolarHBondContact O-N 3.03Å; V244-L288 WeakPolarHBondContact CA-O 3.36Å; V244-L288 HydrophobicContact CG1-CD2 4.09Å; V244-L288 HydrophobicContact CG2-CB 4.46Å; G245-L288 PolarHBondContact N-O 3.37Å; L288-S290 PolarHBondContact O-N 3.43Å; L288-M291 HydrophobicContact CD2-CB 4.12Å; L288-V374 HydrophobicContact CD2-CG2 4.29Å; L288-W377 HydrophobicContact CB-CH2 4.35Å; L288-W377 HydrophobicContact CB-CZ3 4.43Å; L288-W377 HydrophobicContact CD2-CZ3 4.25Å
289	P	98.6	Very high	96.8	Very high	3 Å²	3	15 Å²	15	2%	0.019	8%	0.083	C	C	.	.	S	Bend	trans	-65	-38.2	-177	-26.3	37.7	0	0	0	113.6	L197 G245 N246 G255 L258 I287	L197-P289 HydrophobicContact CD1-CG 3.99Å; L197-P289 HydrophobicContact CD2-CG 4.21Å; G245-P289 CarbonylContact C-O 3.54Å; G245-P289 VanDerWaalsContact CA-O 3.3Å; G245-P289 WeakPolarHBondContact CA-O 3.49Å; N246-P289 WeakPolarHBondContact CB-O 3.46Å; G255-P289 WeakPolarHBondContact CA-O 3.18Å; L258-P289 HydrophobicContact CB-CB 4.49Å; I287-P289 HydrophobicContact CG2-CG 4.28Å; I287-P289 WeakPolarHBondContact O-CD 3.23Å
290	S	98.4	Very high	96.2	Very high	12 Å²	12	18 Å²	18	8%	0.084	10%	0.102	C	C	.	.			trans	-134.3	112.3	179.5	-173.5	0	0	0	0	112.1	N246 L288 P293	N246-S290 PolarHBondContact OD1-OG 3.47Å; L288-S290 PolarHBondContact O-N 3.43Å; S290-P293 WeakPolarHBondContact OG-CA 3.22Å
291	M	98.7	Very high	95	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-80.4	-28	168.6	176.3	-179.6	177.3	0	0	111.9	V244 G245 M247 L288 P293 L331 F335 E370 V374 M463	V244-M291 HydrophobicContact CG1-CB 4Å; V244-M291 HydrophobicContact CG1-SD 4.34Å; G245-M291 PolarHBondContact O-N 2.95Å; G245-M291 VanDerWaalsContact O-N 3.09Å; M247-M291 HydrophobicContact CB-CB 4.06Å; M247-M291 HydrophobicContact CB-CG 4.25Å; M247-M291 HydrophobicContact CB-SD 3.73Å; M247-M291 HydrophobicContact CE-SD 4.06Å; L288-M291 HydrophobicContact CD2-CB 4.12Å; M291-P293 VanDerWaalsContact C-CD 3.41Å; M291-P293 WeakPolarHBondContact O-CD 3.39Å; M291-L331 HydrophobicContact CE-CB 4.27Å; M291-L331 HydrophobicContact CE-CD1 4.13Å; M291-L331 HydrophobicContact CG-CD1 4.2Å; M291-F335 HydrophobicContact CE-CE2 3.96Å; M291-F335 HydrophobicContact CE-CZ 3.9Å; M291-E370 HydrophobicContact CE-CB 4.49Å; M291-E370 WeakPolarHBondContact O-CG 3.44Å; M291-V374 HydrophobicContact CE-CB 4.1Å; M291-V374 HydrophobicContact CE-CG2 3.76Å; M291-V374 HydrophobicContact CG-CG2 4.06Å; M291-V374 HydrophobicContact SD-CG2 3.92Å; M291-M463 HydrophobicContact SD-SD 4Å
292	N	98.4	Very high	93.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.136	C	C	.	.			trans	-121.4	69	179.1	-173.3	11.3	0	0	0	112	N246 M247 G249 D294 G295 Y296 R323 N324 N325 L331	N246-N292 WeakPolarHBondContact O-CB 3.35Å; N246-N292 PolarHBondContact O-N 3.49Å; M247-N292 VanDerWaalsContact O-CB 3.25Å; M247-N292 WeakPolarHBondContact O-CB 3.29Å; G249-N292 PolarHBondContact N-ND2 2.81Å; N292-D294 VanDerWaalsContact C-N 3.25Å; N292-D294 PolarHBondContact O-N 2.85Å; N292-G295 PolarHBondContact O-N 3.12Å; N292-G295 PolarHBondContact OD1-N 3.14Å; N292-Y296 PolarHBondContact O-N 2.69Å; N292-Y296 VanDerWaalsContact O-N 3.15Å; N292-R323 PolarHBondContact ND2-O 2.59Å; N292-N324 VanDerWaalsContact ND2-C 3.27Å; N292-N324 PolarHBondContact ND2-O 3.48Å; N292-N325 WeakPolarHBondContact OD1-CA 3.47Å; N292-L331 HydrophobicContact CB-CD1 3.74Å
293	P	97.4	Very high	90.7	Very high	4 Å²	4	23 Å²	23	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-30.9	-179.9	27.2	-35.5	0	0	0	112	R220 L222 S290 M291 Y296 E297	R220-P293 HydrophobicContact CB-CB 4.18Å; R220-P293 HydrophobicContact CB-CG 3.87Å; L222-P293 HydrophobicContact CD1-CG 4.31Å; S290-P293 WeakPolarHBondContact OG-CA 3.22Å; M291-P293 VanDerWaalsContact C-CD 3.41Å; M291-P293 WeakPolarHBondContact O-CD 3.39Å; P293-Y296 PolarHBondContact O-N 3.44Å; P293-E297 WeakPolarHBondContact O-CG 3.41Å; P293-E297 PolarHBondContact O-N 3.42Å; P293-E297 VanDerWaalsContact O-N 3.08Å
294	D	95.6	Very high	88.1	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-47.8	179.4	-60.2	-7.6	0	0	0	111.7	S216 T217 E218 R220 N292 Y296 E297 V298 A326	S216-D294 VanDerWaalsContact CB-CG 3.45Å; S216-D294 VanDerWaalsContact CB-OD1 3.23Å; S216-D294 WeakPolarHBondContact CB-OD1 3.48Å; S216-D294 WeakPolarHBondContact CB-OD2 3.18Å; S216-D294 PolarHBondContact OG-OD1 3.2Å; S216-D294 PolarHBondContact OG-OD2 3.04Å; S216-D294 VanDerWaalsContact OG-OD2 3.06Å; T217-D294 PolarHBondContact N-OD2 3.47Å; E218-D294 HydrophobicContact CG-CB 4.47Å; E218-D294 PolarHBondContact N-OD2 3.06Å; R220-D294 IonicContact CZ-OD1 2.76Å; R220-D294 IonicContact NH1-OD1 3.66Å; R220-D294 PolarHBondContact NH1-OD1 3.31Å; N292-D294 VanDerWaalsContact C-N 3.25Å; N292-D294 PolarHBondContact O-N 2.85Å; D294-Y296 PolarHBondContact O-N 2.8Å; D294-E297 PolarHBondContact O-N 2.84Å; D294-V298 PolarHBondContact O-N 3.17Å; D294-A326 HydrophobicContact CB-CB 3.96Å
295	G	95.4	Very high	85.3	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-32.9	175.5	0	0	0	0	0	112.3	N292 V298 A299 G322 N324	N292-G295 PolarHBondContact O-N 3.12Å; N292-G295 PolarHBondContact OD1-N 3.14Å; G295-V298 PolarHBondContact O-N 3.22Å; G295-A299 PolarHBondContact O-N 2.7Å; G295-G322 CarbonylContact C-O 3.51Å; G295-G322 VanDerWaalsContact C-O 3.3Å; G295-G322 WeakPolarHBondContact CA-O 3.41Å; G295-G322 CarbonylContact O-C 3.54Å; G295-G322 WeakPolarHBondContact O-CA 3.45Å; G295-G322 VanDerWaalsContact O-O 3.1Å; G295-N324 WeakPolarHBondContact CA-O 3.21Å
296	Y	95.4	Very high	82.4	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-44.6	177.7	173.4	-113.5	0	0	0	112.2	H188 M193 N246 G249 P252 Q256 N292 P293 D294 V298 A299 V300 F485	H188-Y296 WeakPolarHBondContact O-CE1 3.39Å; H188-Y296 VanDerWaalsContact O-CZ 3.28Å; H188-Y296 PolarHBondContact O-OH 3.21Å; M193-Y296 HydrophobicContact CE-CD1 3.76Å; M193-Y296 HydrophobicContact CE-CE1 3.61Å; N246-Y296 WeakPolarHBondContact OD1-CB 3.46Å; G249-Y296 WeakPolarHBondContact O-CA 3.13Å; G249-Y296 WeakPolarHBondContact O-CD2 3.45Å; P252-Y296 HydrophobicContact CB-CD2 3.81Å; P252-Y296 HydrophobicContact CB-CE2 3.45Å; P252-Y296 VanDerWaalsContact CB-CE2 3.45Å; P252-Y296 HydrophobicContact CG-CE2 4.35Å; Q256-Y296 PolarHBondContact NE2-OH 2.92Å; N292-Y296 PolarHBondContact O-N 2.69Å; N292-Y296 VanDerWaalsContact O-N 3.15Å; P293-Y296 PolarHBondContact O-N 3.44Å; D294-Y296 PolarHBondContact O-N 2.8Å; Y296-V298 VanDerWaalsContact C-N 3.25Å; Y296-V298 PolarHBondContact O-N 2.94Å; Y296-A299 WeakPolarHBondContact O-CB 3.39Å; Y296-A299 PolarHBondContact O-N 3.25Å; Y296-V300 HydrophobicContact CD1-CG2 4.35Å; Y296-V300 HydrophobicContact CD2-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.94Å; Y296-V300 HydrophobicContact CE2-CG2 3.37Å; Y296-V300 HydrophobicContact CG-CG2 4.34Å; Y296-V300 VanDerWaalsContact CZ-CG2 3.45Å; Y296-V300 WeakPolarHBondContact O-CG2 3.39Å; Y296-V300 PolarHBondContact O-N 3.25Å; Y296-F485 HydrophobicContact CE2-CE2 4.36Å; Y296-F485 HydrophobicContact CE2-CZ 4.41Å
297	E	92.4	Very high	79.5	Confident	49 Å²	49	42.5 Å²	42.5	23%	0.229	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-38.1	175.6	-65.6	-58	140.7	0	0	112.1	S190 P293 D294 V300 S301	S190-E297 WeakPolarHBondContact CB-OE1 3.13Å; S190-E297 PolarHBondContact N-OE1 3.02Å; S190-E297 PolarHBondContact OG-OE1 2.97Å; P293-E297 WeakPolarHBondContact O-CG 3.41Å; P293-E297 PolarHBondContact O-N 3.42Å; P293-E297 VanDerWaalsContact O-N 3.08Å; D294-E297 PolarHBondContact O-N 2.84Å; E297-V300 PolarHBondContact O-N 2.89Å; E297-S301 WeakPolarHBondContact O-CB 3.16Å; E297-S301 PolarHBondContact O-N 2.87Å; E297-S301 PolarHBondContact O-OG 3.31Å
298	V	90.8	Very high	76.7	Confident	57 Å²	57	52.4 Å²	52.4	35%	0.345	31%	0.308	S	S	.	.	H	α-helix	trans	-66.8	-38.4	174.5	175.9	0	0	0	0	111.8	D294 G295 Y296 S301 V321	D294-V298 PolarHBondContact O-N 3.17Å; G295-V298 PolarHBondContact O-N 3.22Å; Y296-V298 VanDerWaalsContact C-N 3.25Å; Y296-V298 PolarHBondContact O-N 2.94Å; V298-S301 PolarHBondContact O-OG 3.07Å; V298-V321 HydrophobicContact CG1-CG1 3.91Å
299	A	88.8	Confident	73.7	Confident	20 Å²	20	57.1 Å²	57.1	17%	0.165	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-38.2	177	0	0	0	0	0	112	N250 G295 Y296 F485	N250-A299 HydrophobicContact CB-CB 3.77Å; G295-A299 PolarHBondContact O-N 2.7Å; Y296-A299 WeakPolarHBondContact O-CB 3.39Å; Y296-A299 PolarHBondContact O-N 3.25Å; A299-F485 HydrophobicContact CB-CD2 4.31Å; A299-F485 HydrophobicContact CB-CE2 4.04Å
300	V	84.8	Confident	70.7	Confident	70 Å²	70	65.4 Å²	65.4	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-73	-40	179.3	174.1	0	0	0	0	111.9	Y296 E297 G302 F485	Y296-V300 HydrophobicContact CD1-CG2 4.35Å; Y296-V300 HydrophobicContact CD2-CG2 3.86Å; Y296-V300 HydrophobicContact CE1-CG2 3.94Å; Y296-V300 HydrophobicContact CE2-CG2 3.37Å; Y296-V300 HydrophobicContact CG-CG2 4.34Å; Y296-V300 VanDerWaalsContact CZ-CG2 3.45Å; Y296-V300 WeakPolarHBondContact O-CG2 3.39Å; Y296-V300 PolarHBondContact O-N 3.25Å; E297-V300 PolarHBondContact O-N 2.89Å; V300-G302 PolarHBondContact O-N 2.97Å; V300-F485 HydrophobicContact CG2-CE2 4.22Å; V300-F485 HydrophobicContact CG2-CZ 3.99Å
301	S	73.5	Confident	67.8	Low	65 Å²	65	72.1 Å²	72.1	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-70.4	-18.5	-176.8	68.8	0	0	0	0	113.7	E297 V298 D303	E297-S301 WeakPolarHBondContact O-CB 3.16Å; E297-S301 PolarHBondContact O-N 2.87Å; E297-S301 PolarHBondContact O-OG 3.31Å; V298-S301 PolarHBondContact O-OG 3.07Å; S301-D303 PolarHBondContact O-N 2.79Å; S301-D303 PolarHBondContact OG-N 2.85Å
302	G	58.9	Low	65.1	Low	57 Å²	57	81.6 Å²	81.6	59%	0.588	46%	0.464	S	S	*	.			trans	66.8	10	-176.1	0	0	0	0	0	113.9	V300 A304	V300-G302 PolarHBondContact O-N 2.97Å; G302-A304 PolarHBondContact O-N 2.78Å
303	D	45.9	Very low	61.9	Low	124 Å²	124	84.7 Å²	84.7	66%	0.663	50%	0.496	S	S	*	.			trans	-72.7	77.8	177.8	-84.9	-34.8	0	0	0	110.2	S301 D305	S301-D303 PolarHBondContact O-N 2.79Å; S301-D303 PolarHBondContact OG-N 2.85Å; D303-D305 PolarHBondContact O-N 2.93Å
304	A	43.5	Very low	58.9	Low	48 Å²	48	90.6 Å²	90.6	40%	0.397	53%	0.527	S	S	.	.			trans	-73.1	110.2	155.1	0	0	0	0	0	107.5	G302 S306 V321	G302-A304 PolarHBondContact O-N 2.78Å; A304-S306 PolarHBondContact O-N 2.96Å; A304-V321 HydrophobicContact CB-CG2 4.18Å
305	D	39.7	Very low	56.1	Low	127 Å²	127	102.7 Å²	102.7	68%	0.679	57%	0.573	S	S	*	*			trans	-50.4	103.9	165.9	-153.5	-1.6	0	0	0	108.1	D303 N307	D303-D305 PolarHBondContact O-N 2.93Å; D305-N307 PolarHBondContact O-N 3.14Å
306	S	37.5	Very low	53.4	Low	118 Å²	118	111.8 Å²	111.8	83%	0.825	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	33.2	-172.4	65.3	0	0	0	0	112.8	A304	A304-S306 PolarHBondContact O-N 2.96Å
307	N	38.8	Very low	50.6	Low	135 Å²	135	114.4 Å²	114.4	72%	0.722	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	5.2	-174.9	-107.9	-16.6	0	0	0	114.2	D305	D305-N307 PolarHBondContact O-N 3.14Å
308	Y	38.8	Very low	48.3	Very low	207 Å²	207	122 Å²	122	81%	0.812	66%	0.663	S	S	*	*	S	Bend	trans	-104.4	91.1	166.8	-75.4	-77.3	0	0	0	110.1
309	S	35.3	Very low	46.7	Very low	99 Å²	99	120.7 Å²	120.7	69%	0.692	66%	0.662	S	S	*	*			trans	22.9	114.6	155	53.7	0	0	0	0	117.7	D311	S309-D311 VanDerWaalsContact C-N 3.32Å; S309-D311 PolarHBondContact O-N 2.81Å
310	D	37.1	Very low	46	Very low	177 Å²	177	124.7 Å²	124.7	95%	0.947	68%	0.681	S	S	*	*			trans	-45.4	97.1	145.9	-79.3	-36.9	0	0	0	109.4
311	D	36.2	Very low	46	Very low	153 Å²	153	123.3 Å²	123.3	82%	0.818	67%	0.672	S	S	*	*			trans	-119	118.9	151.9	-150.2	13.2	0	0	0	106.5	S309 G313	S309-D311 VanDerWaalsContact C-N 3.32Å; S309-D311 PolarHBondContact O-N 2.81Å; D311-G313 PolarHBondContact O-N 3.44Å; D311-G313 VanDerWaalsContact O-N 3.12Å
312	E	41.8	Very low	46.8	Very low	200 Å²	200	120.7 Å²	120.7	94%	0.935	66%	0.656	S	S	*	*	S	Bend	trans	-58.7	113.1	-174.7	-75.8	-179.7	134.7	0	0	110.6
313	G	32.8	Very low	48.5	Very low	64 Å²	64	119.9 Å²	119.9	66%	0.66	64%	0.635	S	S	*	*			trans	128	75.2	158.9	0	0	0	0	0	114.7	D311	D311-G313 PolarHBondContact O-N 3.44Å; D311-G313 VanDerWaalsContact O-N 3.12Å
314	D	33.4	Very low	50.8	Low	129 Å²	129	115.8 Å²	115.8	69%	0.69	61%	0.613	S	S	*	*			trans	-164	120.5	136	-105.1	-26.2	0	0	0	111.5	Y316 G317	D314-Y316 PolarHBondContact O-N 2.8Å; D314-G317 PolarHBondContact O-N 2.82Å
315	R	36.3	Very low	53.3	Low	255 Å²	255	113.9 Å²	113.9	96%	0.962	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	12.6	168.1	-144.9	175.8	-175.3	-178.3	-0.3	112.4
316	Y	39.8	Very low	55.8	Low	192 Å²	192	110 Å²	110	75%	0.753	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-1.8	-176.8	-71.7	-78.3	0	0	0	113.7	D314 Y318 G319	D314-Y316 PolarHBondContact O-N 2.8Å; Y316-Y318 PolarHBondContact O-N 3.01Å; Y316-G319 PolarHBondContact O-N 3.15Å
317	G	36.5	Very low	58.2	Low	57 Å²	57	107.5 Å²	107.5	59%	0.588	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-69.5	-22.1	-175.7	0	0	0	0	0	116	D314 G319	D314-G317 PolarHBondContact O-N 2.82Å; G317-G319 VanDerWaalsContact C-N 3.32Å
318	Y	44.2	Very low	60.7	Low	207 Å²	207	107.1 Å²	107.1	81%	0.812	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-77.2	-14.6	176	-82.2	-92	0	0	0	113.5	Y316 N320	Y316-Y318 PolarHBondContact O-N 3.01Å; Y318-N320 VanDerWaalsContact C-N 3.28Å; Y318-N320 PolarHBondContact O-N 2.98Å; Y318-N320 VanDerWaalsContact O-N 3.16Å
319	G	57.5	Low	63.2	Low	31 Å²	31	98.4 Å²	98.4	32%	0.32	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-78.9	5.7	-168.1	0	0	0	0	0	117.1	N250 Y316 G317 K484	N250-G319 PolarHBondContact ND2-O 3.38Å; Y316-G319 PolarHBondContact O-N 3.15Å; G317-G319 VanDerWaalsContact C-N 3.32Å; G319-K484 PolarHBondContact O-NZ 3.48Å
320	N	73.6	Confident	66.1	Low	104 Å²	104	95.1 Å²	95.1	56%	0.556	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-126.7	-6.5	-178.2	-73.1	-24.3	0	0	0	114.4	Y318 G322 R323	Y318-N320 VanDerWaalsContact C-N 3.28Å; Y318-N320 PolarHBondContact O-N 2.98Å; Y318-N320 VanDerWaalsContact O-N 3.16Å; N320-G322 PolarHBondContact O-N 3.27Å; N320-R323 VanDerWaalsContact O-CB 3.23Å; N320-R323 WeakPolarHBondContact O-CB 3.42Å; N320-R323 PolarHBondContact O-N 2.93Å; N320-R323 VanDerWaalsContact O-N 3.07Å
321	V	85	Confident	69	Low	41 Å²	41	86.7 Å²	86.7	25%	0.248	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	128.5	174.3	178.9	0	0	0	0	108.4	N250 V298 A304 R323	N250-V321 WeakPolarHBondContact CB-O 3.45Å; N250-V321 PolarHBondContact ND2-O 3.04Å; V298-V321 HydrophobicContact CG1-CG1 3.91Å; A304-V321 HydrophobicContact CB-CG2 4.18Å; V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 2.82Å
322	G	89.6	Confident	72	Confident	10 Å²	10	79.9 Å²	79.9	10%	0.103	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	4.7	-177	0	0	0	0	0	115.9	G249 N250 G295 N320	G249-G322 CarbonylContact C-O 3.53Å; G249-G322 WeakPolarHBondContact CA-O 3.34Å; G249-G322 PolarHBondContact N-O 3.16Å; G249-G322 VanDerWaalsContact N-O 3.07Å; N250-G322 PolarHBondContact N-O 2.9Å; N250-G322 VanDerWaalsContact N-O 3.14Å; G295-G322 CarbonylContact C-O 3.51Å; G295-G322 VanDerWaalsContact C-O 3.3Å; G295-G322 WeakPolarHBondContact CA-O 3.41Å; G295-G322 CarbonylContact O-C 3.54Å; G295-G322 WeakPolarHBondContact O-CA 3.45Å; G295-G322 VanDerWaalsContact O-O 3.1Å; N320-G322 PolarHBondContact O-N 3.27Å
323	R	94.5	Very high	74.6	Confident	39 Å²	39	75.4 Å²	75.4	15%	0.147	39%	0.39	C	S	.	.			trans	-63.5	-52.3	176.5	179.6	-176.1	167.9	70.6	7.8	112.1	H248 G249 N250 E251 N292 N320 V321 D330	H248-R323 VanDerWaalsContact CA-O 3.28Å; H248-R323 WeakPolarHBondContact CA-O 3.18Å; H248-R323 HydrophobicContact CB-CG 4.03Å; H248-R323 VanDerWaalsContact CE1-CZ 3.44Å; H248-R323 PolarHBondContact CE1-NH1 3.33Å; H248-R323 PolarHBondContact CE1-NH2 3.49Å; H248-R323 PolarHBondContact ND1-NH1 2.88Å; H248-R323 VanDerWaalsContact NE2-CZ 3.35Å; H248-R323 PolarHBondContact NE2-NH2 2.91Å; G249-R323 PolarHBondContact N-O 2.76Å; N250-R323 VanDerWaalsContact OD1-CA 3.31Å; N250-R323 WeakPolarHBondContact OD1-CA 3.18Å; N250-R323 WeakPolarHBondContact OD1-CB 3.34Å; E251-R323 IonicContact OE1-NH1 2.94Å; E251-R323 PolarHBondContact OE1-NH1 3.47Å; N292-R323 PolarHBondContact ND2-O 2.59Å; N320-R323 VanDerWaalsContact O-CB 3.23Å; N320-R323 WeakPolarHBondContact O-CB 3.42Å; N320-R323 PolarHBondContact O-N 2.93Å; N320-R323 VanDerWaalsContact O-N 3.07Å; V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 2.82Å; R323-D330 IonicContact CZ-OD2 2.75Å; R323-D330 IonicContact NE-OD2 3.28Å; R323-D330 PolarHBondContact NE-OD2 3.15Å; R323-D330 IonicContact NH2-OD1 3.58Å; R323-D330 IonicContact NH2-OD2 2.87Å; R323-D330 PolarHBondContact NH2-OD2 2.98Å
324	N	95.5	Very high	77.7	Confident	39 Å²	39	73.3 Å²	73.3	21%	0.209	36%	0.363	C	S	.	.	S	Bend	trans	-80.6	169.2	-176	-66.7	-14.1	0	0	0	111	N292 G295 N328 I329 D330	N292-N324 VanDerWaalsContact ND2-C 3.27Å; N292-N324 PolarHBondContact ND2-O 3.48Å; G295-N324 WeakPolarHBondContact CA-O 3.21Å; N324-N328 PolarHBondContact ND2-O 3.19Å; N324-N328 PolarHBondContact ND2-OD1 2.88Å; N324-I329 WeakPolarHBondContact CA-O 3.21Å; N324-I329 WeakPolarHBondContact CB-O 3.03Å; N324-D330 WeakPolarHBondContact OD1-CA 3.47Å; N324-D330 WeakPolarHBondContact OD1-CB 3.41Å
325	N	94.4	Very high	80.7	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	33%	0.332	C	S	.	.			trans	-73	178.6	171.3	81.4	-17	0	0	0	111.6	T217 N292 Q327 N328 I329 L331 A368 E370	T217-N325 PolarHBondContact OG1-ND2 3.43Å; N292-N325 WeakPolarHBondContact OD1-CA 3.47Å; N325-Q327 PolarHBondContact O-N 3.07Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.4Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.31Å; N325-Q327 PolarHBondContact OD1-N 2.89Å; N325-N328 WeakPolarHBondContact O-CA 3.19Å; N325-N328 PolarHBondContact O-N 2.89Å; N325-N328 PolarHBondContact OD1-N 2.9Å; N325-I329 PolarHBondContact N-O 3.45Å; N325-I329 WeakPolarHBondContact OD1-CB 3.19Å; N325-I329 PolarHBondContact OD1-N 2.81Å; N325-I329 PolarHBondContact OD1-O 2.85Å; N325-L331 HydrophobicContact CB-CD1 4.46Å; N325-L331 HydrophobicContact CB-CD2 3.96Å; N325-L331 HydrophobicContact CB-CG 4.24Å; N325-A368 WeakPolarHBondContact ND2-CB 3.28Å; N325-E370 PolarHBondContact ND2-OE2 3.44Å
326	A	92.7	Very high	83.6	Confident	46 Å²	46	55.4 Å²	55.4	38%	0.38	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	-179.9	0	0	0	0	0	114.3	T217 E218 D294 N328	T217-A326 HydrophobicContact CG2-CB 3.97Å; E218-A326 HydrophobicContact CG-CB 3.73Å; D294-A326 HydrophobicContact CB-CB 3.96Å; A326-N328 VanDerWaalsContact C-N 3.28Å
327	Q	88.7	Confident	86.2	Confident	66 Å²	66	48.6 Å²	48.6	31%	0.308	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	8.6	174.2	-58.6	-168.5	-45.4	0	0	113.4	T217 N325 I329 K366	T217-Q327 HydrophobicContact CG2-CG 3.44Å; T217-Q327 VanDerWaalsContact CG2-CG 3.44Å; N325-Q327 PolarHBondContact O-N 3.07Å; N325-Q327 WeakPolarHBondContact OD1-CA 3.4Å; N325-Q327 WeakPolarHBondContact OD1-CB 3.31Å; N325-Q327 PolarHBondContact OD1-N 2.89Å; Q327-I329 VanDerWaalsContact C-N 3.26Å; Q327-I329 HydrophobicContact CB-CD1 3.89Å; Q327-I329 HydrophobicContact CB-CG1 3.98Å; Q327-I329 PolarHBondContact O-N 2.82Å; Q327-K366 VanDerWaalsContact CD-CE 3.43Å; Q327-K366 VanDerWaalsContact OE1-CE 3.23Å
328	N	91.3	Very high	89.1	Confident	126 Å²	126	46 Å²	46	67%	0.674	24%	0.236	S	C	*	.	S	Bend	trans	56.8	35.6	-172.9	-161.5	27.5	0	0	0	113.4	N324 N325 A326	N324-N328 PolarHBondContact ND2-O 3.19Å; N324-N328 PolarHBondContact ND2-OD1 2.88Å; N325-N328 WeakPolarHBondContact O-CA 3.19Å; N325-N328 PolarHBondContact O-N 2.89Å; N325-N328 PolarHBondContact OD1-N 2.9Å; A326-N328 VanDerWaalsContact C-N 3.28Å
329	I	91.8	Very high	91.5	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.128	20%	0.198	C	C	.	.			trans	-99	128.9	175.2	-56.6	171.8	0	0	0	109	N324 N325 Q327 L331 N334 K366 A368	N324-I329 WeakPolarHBondContact CA-O 3.21Å; N324-I329 WeakPolarHBondContact CB-O 3.03Å; N325-I329 PolarHBondContact N-O 3.45Å; N325-I329 WeakPolarHBondContact OD1-CB 3.19Å; N325-I329 PolarHBondContact OD1-N 2.81Å; N325-I329 PolarHBondContact OD1-O 2.85Å; Q327-I329 VanDerWaalsContact C-N 3.26Å; Q327-I329 HydrophobicContact CB-CD1 3.89Å; Q327-I329 HydrophobicContact CB-CG1 3.98Å; Q327-I329 PolarHBondContact O-N 2.82Å; I329-L331 PolarHBondContact O-N 3.33Å; I329-N334 HydrophobicContact CG2-CB 3.86Å; I329-K366 HydrophobicContact CD1-CB 4.47Å; I329-K366 HydrophobicContact CD1-CD 3.73Å; I329-K366 HydrophobicContact CD1-CG 3.79Å; I329-A368 HydrophobicContact CD1-CB 4.12Å; I329-A368 HydrophobicContact CG2-CB 4.49Å
330	D	96.4	Very high	93.3	Very high	29 Å²	29	36.5 Å²	36.5	16%	0.155	19%	0.193	C	C	.	.			trans	-72.2	108.1	166.9	-172.9	-35.8	0	0	0	108.6	H248 R323 N324 N332 R333 N334	H248-D330 IonicContact CD2-OD1 3.22Å; H248-D330 IonicContact NE2-OD1 3.84Å; H248-D330 PolarHBondContact NE2-OD1 3.06Å; R323-D330 IonicContact CZ-OD2 2.75Å; R323-D330 IonicContact NE-OD2 3.28Å; R323-D330 PolarHBondContact NE-OD2 3.15Å; R323-D330 IonicContact NH2-OD1 3.58Å; R323-D330 IonicContact NH2-OD2 2.87Å; R323-D330 PolarHBondContact NH2-OD2 2.98Å; N324-D330 WeakPolarHBondContact OD1-CA 3.47Å; N324-D330 WeakPolarHBondContact OD1-CB 3.41Å; D330-N332 PolarHBondContact O-N 3.2Å; D330-N332 WeakPolarHBondContact OD1-CA 3.32Å; D330-N332 PolarHBondContact OD1-N 3.04Å; D330-R333 HydrophobicContact CB-CB 4.22Å; D330-R333 HydrophobicContact CB-CG 4.05Å; D330-R333 PolarHBondContact O-N 3.16Å; D330-N334 PolarHBondContact O-N 3.32Å
331	L	98	Very high	94.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.5	-177	-62.2	-174.7	0	0	0	112.2	M247 M291 N292 N325 I329 R333 N334 F335 A368 E370	M247-L331 HydrophobicContact CE-CB 4.31Å; M291-L331 HydrophobicContact CE-CB 4.27Å; M291-L331 HydrophobicContact CE-CD1 4.13Å; M291-L331 HydrophobicContact CG-CD1 4.2Å; N292-L331 HydrophobicContact CB-CD1 3.74Å; N325-L331 HydrophobicContact CB-CD1 4.46Å; N325-L331 HydrophobicContact CB-CD2 3.96Å; N325-L331 HydrophobicContact CB-CG 4.24Å; I329-L331 PolarHBondContact O-N 3.33Å; L331-R333 PolarHBondContact O-N 3.28Å; L331-N334 PolarHBondContact O-N 2.85Å; L331-F335 WeakPolarHBondContact O-CD2 3.49Å; L331-A368 HydrophobicContact CD2-CB 3.5Å; L331-E370 HydrophobicContact CD1-CB 3.78Å; L331-E370 HydrophobicContact CD1-CG 4.16Å; L331-E370 HydrophobicContact CD2-CB 4.15Å
332	N	97.9	Very high	94.6	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-85.2	14.6	176.5	-155.2	19.1	0	0	0	113.1	M247 D330 G461 G462 M463	M247-N332 HydrophobicContact CE-CB 3.51Å; M247-N332 HydrophobicContact SD-CB 3.83Å; D330-N332 PolarHBondContact O-N 3.2Å; D330-N332 WeakPolarHBondContact OD1-CA 3.32Å; D330-N332 PolarHBondContact OD1-N 3.04Å; N332-G461 CarbonylContact C-O 3.52Å; N332-G462 WeakPolarHBondContact O-CA 3.41Å; N332-G462 WeakPolarHBondContact OD1-CA 3.12Å; N332-M463 PolarHBondContact OD1-N 2.62Å
333	R	96.6	Very high	94.7	Very high	106 Å²	106	32.8 Å²	32.8	40%	0.4	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-125.4	5.8	165.6	-59.3	-64.5	-179.3	-75.7	-12.5	112.1	D330 L331 I459 S460 G461	D330-R333 HydrophobicContact CB-CB 4.22Å; D330-R333 HydrophobicContact CB-CG 4.05Å; D330-R333 PolarHBondContact O-N 3.16Å; L331-R333 PolarHBondContact O-N 3.28Å; R333-I459 VanDerWaalsContact NH1-CD1 3.27Å; R333-S460 WeakPolarHBondContact CD-O 3.44Å; R333-G461 CarbonylContact C-O 3.58Å; R333-G461 VanDerWaalsContact CA-O 3.32Å; R333-G461 WeakPolarHBondContact CA-O 3.45Å
334	N	97.3	Very high	94.5	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	20%	0.198	C	C	.	.			trans	-103.5	-7.3	-169.9	-166.2	-120.7	0	0	0	113.9	I329 D330 L331 Y362 K366 A368 T371 G461	I329-N334 HydrophobicContact CG2-CB 3.86Å; D330-N334 PolarHBondContact O-N 3.32Å; L331-N334 PolarHBondContact O-N 2.85Å; N334-Y362 VanDerWaalsContact O-CE2 3.22Å; N334-Y362 WeakPolarHBondContact O-CE2 3.38Å; N334-Y362 PolarHBondContact O-OH 3.33Å; N334-K366 PolarHBondContact ND2-O 2.96Å; N334-A368 WeakPolarHBondContact OD1-CB 3.19Å; N334-A368 PolarHBondContact OD1-N 3.47Å; N334-T371 HydrophobicContact CB-CG2 4.32Å; N334-T371 VanDerWaalsContact OD1-CB 3.24Å; N334-T371 WeakPolarHBondContact OD1-CB 3.35Å; N334-T371 PolarHBondContact OD1-OG1 2.74Å; N334-G461 PolarHBondContact N-O 2.82Å
335	F	98.1	Very high	94.2	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.022	21%	0.208	C	C	.	.	S	Bend	trans	-76.5	158.4	174.3	-72.2	-98.8	0	0	0	111.7	M247 M291 L331 D337 T371 V374 M375 G461 M463 F466	M247-F335 HydrophobicContact CE-CE2 4.42Å; M291-F335 HydrophobicContact CE-CE2 3.96Å; M291-F335 HydrophobicContact CE-CZ 3.9Å; L331-F335 WeakPolarHBondContact O-CD2 3.49Å; F335-D337 PolarHBondContact O-N 3.09Å; F335-T371 HydrophobicContact CD1-CG2 4.01Å; F335-T371 HydrophobicContact CD2-CG2 3.92Å; F335-T371 HydrophobicContact CE1-CG2 4Å; F335-T371 HydrophobicContact CE2-CG2 3.89Å; F335-T371 HydrophobicContact CG-CG2 3.97Å; F335-T371 HydrophobicContact CZ-CG2 3.94Å; F335-V374 HydrophobicContact CE1-CG1 4.19Å; F335-V374 HydrophobicContact CZ-CB 4.27Å; F335-V374 HydrophobicContact CZ-CG1 3.92Å; F335-M375 HydrophobicContact CD1-CG 3.7Å; F335-M375 HydrophobicContact CD1-SD 4.28Å; F335-M375 HydrophobicContact CE1-CG 3.63Å; F335-G461 WeakPolarHBondContact CB-O 3.48Å; F335-G461 PolarHBondContact N-O 2.85Å; F335-G461 WeakPolarHBondContact O-CA 3.38Å; F335-M463 HydrophobicContact CD2-CB 3.83Å; F335-M463 HydrophobicContact CD2-CG 4.42Å; F335-M463 HydrophobicContact CE1-CB 4.36Å; F335-M463 HydrophobicContact CE1-CG 3.92Å; F335-M463 HydrophobicContact CE2-CB 3.49Å; F335-M463 VanDerWaalsContact CE2-CB 3.49Å; F335-M463 HydrophobicContact CE2-CG 3.77Å; F335-M463 HydrophobicContact CE2-SD 4.18Å; F335-M463 HydrophobicContact CG-CB 4.41Å; F335-M463 HydrophobicContact CZ-CB 3.78Å; F335-M463 HydrophobicContact CZ-CG 3.47Å; F335-M463 VanDerWaalsContact CZ-CG 3.47Å; F335-M463 HydrophobicContact CZ-SD 3.76Å; F335-F466 HydrophobicContact CB-CB 3.99Å; F335-F466 HydrophobicContact CB-CG 4.3Å; F335-F466 HydrophobicContact CD1-CB 3.91Å; F335-F466 AromaticContact CD1-CD1 3.57Å; F335-F466 HydrophobicContact CD1-CD1 3.57Å; F335-F466 HydrophobicContact CD1-CD2 4.33Å; F335-F466 HydrophobicContact CD1-CE1 4.16Å; F335-F466 AromaticContact CD1-CG 3.67Å; F335-F466 HydrophobicContact CD1-CG 3.67Å; F335-F466 AromaticContact CE1-CD1 3.97Å; F335-F466 HydrophobicContact CE1-CD1 3.97Å; F335-F466 HydrophobicContact CE1-CE1 4.39Å; F335-F466 HydrophobicContact CE1-CG 4.49Å; F335-F466 HydrophobicContact CG-CB 4.22Å; F335-F466 HydrophobicContact CG-CG 4.38Å
336	P	96.5	Very high	93.6	Very high	3 Å²	3	49 Å²	49	2%	0.019	23%	0.225	C	C	.	.			trans	-58.5	128.2	174.3	-22.6	31.3	0	0	0	112.2	L338 I358 Y362 M375 F466	P336-L338 VanDerWaalsContact C-N 3.3Å; P336-L338 HydrophobicContact CB-CD2 4.02Å; P336-L338 HydrophobicContact CB-CG 4.22Å; P336-L338 PolarHBondContact O-N 2.6Å; P336-I358 HydrophobicContact CB-CG2 4.25Å; P336-I358 HydrophobicContact CG-CD1 4.39Å; P336-I358 HydrophobicContact CG-CG1 4.15Å; P336-I358 HydrophobicContact CG-CG2 3.79Å; P336-Y362 HydrophobicContact CB-CD2 3.91Å; P336-Y362 HydrophobicContact CB-CE2 4.17Å; P336-Y362 HydrophobicContact CB-CG 4.12Å; P336-Y362 HydrophobicContact CG-CD1 3.84Å; P336-Y362 HydrophobicContact CG-CD2 3.77Å; P336-Y362 HydrophobicContact CG-CE1 3.75Å; P336-Y362 HydrophobicContact CG-CE2 3.68Å; P336-Y362 HydrophobicContact CG-CG 3.84Å; P336-M375 VanDerWaalsContact CD-SD 3.6Å; P336-M375 HydrophobicContact CG-SD 3.99Å; P336-F466 HydrophobicContact CB-CD2 4.34Å; P336-F466 HydrophobicContact CB-CE2 4.47Å; P336-F466 HydrophobicContact CG-CD2 4.02Å; P336-F466 HydrophobicContact CG-CE2 3.83Å
337	D	95.1	Very high	93.1	Very high	50 Å²	50	57.4 Å²	57.4	27%	0.267	25%	0.247	S	C	.	.			trans	-75.2	82.9	172.9	177.7	11.3	0	0	0	111.1	F335 T339 T340 L402	F335-D337 PolarHBondContact O-N 3.09Å; D337-T339 PolarHBondContact OD1-N 3.08Å; D337-T340 PolarHBondContact OD1-N 3.14Å; D337-T340 PolarHBondContact OD1-OG1 2.76Å; D337-T340 WeakPolarHBondContact OD2-CB 3.01Å; D337-T340 PolarHBondContact OD2-OG1 3.07Å; D337-L402 WeakPolarHBondContact OD1-CD2 3.3Å
338	L	96.4	Very high	93	Very high	2 Å²	2	60 Å²	60	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-78.7	-22.1	175.7	-56.2	-177.4	0	0	0	111.9	P336 T340 V341 V342 I356 P359 F466 L469 H470	P336-L338 VanDerWaalsContact C-N 3.3Å; P336-L338 HydrophobicContact CB-CD2 4.02Å; P336-L338 HydrophobicContact CB-CG 4.22Å; P336-L338 PolarHBondContact O-N 2.6Å; L338-T340 PolarHBondContact O-N 3.31Å; L338-V341 WeakPolarHBondContact O-CA 3.46Å; L338-V341 VanDerWaalsContact O-CB 3.29Å; L338-V341 WeakPolarHBondContact O-CB 3.47Å; L338-V341 PolarHBondContact O-N 3.28Å; L338-V342 PolarHBondContact O-N 3.37Å; L338-I356 HydrophobicContact CD1-CB 4.3Å; L338-I356 HydrophobicContact CD2-CB 4.5Å; L338-I356 HydrophobicContact CD2-CG2 4.03Å; L338-P359 HydrophobicContact CD2-CG 4.35Å; L338-F466 HydrophobicContact CD1-CD2 3.92Å; L338-F466 HydrophobicContact CD1-CE2 4.29Å; L338-L469 HydrophobicContact CB-CB 3.79Å; L338-L469 HydrophobicContact CB-CD1 3.63Å; L338-L469 HydrophobicContact CB-CG 4.37Å; L338-L469 HydrophobicContact CD1-CB 3.88Å; L338-L469 HydrophobicContact CG-CB 4.49Å; L338-H470 HydrophobicContact CD1-CB 3.74Å
339	T	95.6	Very high	92.3	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-38.6	-179.6	-51.7	0	0	0	0	111.3	D337 V341 V342 Y343 Y400 L402 D465 L469	D337-T339 PolarHBondContact OD1-N 3.08Å; T339-V341 VanDerWaalsContact C-N 3.29Å; T339-V341 PolarHBondContact O-N 3.13Å; T339-V342 WeakPolarHBondContact O-CB 3.45Å; T339-V342 PolarHBondContact O-N 2.92Å; T339-Y343 HydrophobicContact CG2-CD2 4.29Å; T339-Y343 HydrophobicContact CG2-CE1 3.94Å; T339-Y343 HydrophobicContact CG2-CE2 3.64Å; T339-Y343 VanDerWaalsContact CG2-CZ 3.43Å; T339-Y343 PolarHBondContact O-N 2.92Å; T339-Y400 HydrophobicContact CG2-CD1 3.98Å; T339-Y400 HydrophobicContact CG2-CD2 4.46Å; T339-Y400 HydrophobicContact CG2-CG 3.95Å; T339-L402 HydrophobicContact CG2-CB 3.76Å; T339-L402 HydrophobicContact CG2-CD2 4.24Å; T339-L402 HydrophobicContact CG2-CG 4.43Å; T339-D465 PolarHBondContact OG1-OD2 3.4Å; T339-L469 WeakPolarHBondContact OG1-CD1 3.34Å
340	T	93.4	Very high	91.5	Very high	36 Å²	36	64.1 Å²	64.1	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-38.3	169.8	-73.1	0	0	0	0	112.1	D337 L338 Y343 R344 L402	D337-T340 PolarHBondContact OD1-N 3.14Å; D337-T340 PolarHBondContact OD1-OG1 2.76Å; D337-T340 WeakPolarHBondContact OD2-CB 3.01Å; D337-T340 PolarHBondContact OD2-OG1 3.07Å; L338-T340 PolarHBondContact O-N 3.31Å; T340-Y343 PolarHBondContact O-N 3.36Å; T340-R344 HydrophobicContact CG2-CG 4.4Å; T340-R344 WeakPolarHBondContact O-CB 3.5Å; T340-R344 VanDerWaalsContact O-CG 3.31Å; T340-R344 WeakPolarHBondContact O-CG 3.41Å; T340-R344 PolarHBondContact O-N 3.35Å; T340-L402 VanDerWaalsContact OG1-CD2 3.26Å; T340-L402 WeakPolarHBondContact OG1-CD2 3.48Å
341	V	93.1	Very high	90.9	Very high	24 Å²	24	64.4 Å²	64.4	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-45.8	176.1	-176.6	0	0	0	0	110	L338 T339 Y343 R344 R345 F351 I356 P359	L338-V341 WeakPolarHBondContact O-CA 3.46Å; L338-V341 VanDerWaalsContact O-CB 3.29Å; L338-V341 WeakPolarHBondContact O-CB 3.47Å; L338-V341 PolarHBondContact O-N 3.28Å; T339-V341 VanDerWaalsContact C-N 3.29Å; T339-V341 PolarHBondContact O-N 3.13Å; V341-Y343 PolarHBondContact O-N 2.94Å; V341-R344 PolarHBondContact O-N 3.49Å; V341-R345 HydrophobicContact CG1-CG 4.46Å; V341-R345 WeakPolarHBondContact O-CB 3.38Å; V341-R345 PolarHBondContact O-N 3.08Å; V341-F351 HydrophobicContact CG1-CE2 4.37Å; V341-F351 HydrophobicContact CG1-CZ 4.02Å; V341-I356 HydrophobicContact CG1-CG2 4.17Å; V341-P359 HydrophobicContact CG2-CG 4.23Å
342	V	93.5	Very high	90.1	Very high	8 Å²	8	67.4 Å²	67.4	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-50.1	174.3	173.3	0	0	0	0	111	L338 T339 R344 R345 R346 T353 I356 L469	L338-V342 PolarHBondContact O-N 3.37Å; T339-V342 WeakPolarHBondContact O-CB 3.45Å; T339-V342 PolarHBondContact O-N 2.92Å; V342-R344 VanDerWaalsContact C-N 3.3Å; V342-R344 PolarHBondContact O-N 3.19Å; V342-R345 PolarHBondContact O-N 3.3Å; V342-R346 WeakPolarHBondContact O-CA 3.46Å; V342-R346 WeakPolarHBondContact O-CB 3.23Å; V342-R346 PolarHBondContact O-N 3.47Å; V342-T353 HydrophobicContact CG1-CG2 4.07Å; V342-T353 HydrophobicContact CG2-CG2 4.46Å; V342-I356 HydrophobicContact CG2-CD1 3.38Å; V342-L469 HydrophobicContact CG2-CD1 4.1Å; V342-L469 HydrophobicContact CG2-CD2 3.71Å
343	Y	92.4	Very high	89.8	Confident	46 Å²	46	67.7 Å²	67.7	18%	0.18	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-35.6	-177.9	-65.9	-17.8	0	0	0	113.4	T339 T340 V341 Y400 L402 K404 S413	T339-Y343 HydrophobicContact CG2-CD2 4.29Å; T339-Y343 HydrophobicContact CG2-CE1 3.94Å; T339-Y343 HydrophobicContact CG2-CE2 3.64Å; T339-Y343 VanDerWaalsContact CG2-CZ 3.43Å; T339-Y343 PolarHBondContact O-N 2.92Å; T340-Y343 PolarHBondContact O-N 3.36Å; V341-Y343 PolarHBondContact O-N 2.94Å; Y343-Y400 HydrophobicContact CE1-CD2 4.49Å; Y343-L402 HydrophobicContact CE2-CD2 4.36Å; Y343-L402 HydrophobicContact CE2-CG 4.2Å; Y343-L402 WeakPolarHBondContact CE2-O 3.37Å; Y343-L402 PolarHBondContact OH-O 3.04Å; Y343-K404 HydrophobicContact CD1-CB 4.48Å; Y343-K404 HydrophobicContact CD2-CB 4.14Å; Y343-K404 HydrophobicContact CE1-CB 4.14Å; Y343-K404 HydrophobicContact CE2-CB 3.76Å; Y343-K404 HydrophobicContact CG-CB 4.49Å; Y343-S413 WeakPolarHBondContact OH-CB 3.37Å
344	R	90.4	Very high	89.6	Confident	205 Å²	205	63 Å²	63	77%	0.774	28%	0.275	S	S	*	.	H	α-helix	trans	-72.2	-41.3	176.3	-71.7	177.3	-177.5	-178.6	3.6	112.3	T340 V341 V342	T340-R344 HydrophobicContact CG2-CG 4.4Å; T340-R344 WeakPolarHBondContact O-CB 3.5Å; T340-R344 VanDerWaalsContact O-CG 3.31Å; T340-R344 WeakPolarHBondContact O-CG 3.41Å; T340-R344 PolarHBondContact O-N 3.35Å; V341-R344 PolarHBondContact O-N 3.49Å; V342-R344 VanDerWaalsContact C-N 3.3Å; V342-R344 PolarHBondContact O-N 3.19Å
345	R	88.6	Confident	89.4	Confident	112 Å²	112	63.2 Å²	63.2	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-101.5	-6.6	-170.2	-61.1	-174.1	179.4	-172.2	2.4	114.9	V341 V342 R347 Q348 F351	V341-R345 HydrophobicContact CG1-CG 4.46Å; V341-R345 WeakPolarHBondContact O-CB 3.38Å; V341-R345 PolarHBondContact O-N 3.08Å; V342-R345 PolarHBondContact O-N 3.3Å; R345-R347 PolarHBondContact O-N 2.91Å; R345-Q348 WeakPolarHBondContact O-CB 3.21Å; R345-Q348 PolarHBondContact O-N 3.3Å; R345-F351 HydrophobicContact CB-CB 4.28Å; R345-F351 HydrophobicContact CB-CD1 3.53Å; R345-F351 HydrophobicContact CB-CD2 3.49Å; R345-F351 VanDerWaalsContact CB-CD2 3.49Å; R345-F351 HydrophobicContact CB-CE1 3.64Å; R345-F351 HydrophobicContact CB-CE2 3.62Å; R345-F351 HydrophobicContact CB-CG 3.45Å; R345-F351 VanDerWaalsContact CB-CG 3.45Å; R345-F351 HydrophobicContact CB-CZ 3.68Å; R345-F351 HydrophobicContact CG-CD2 4.19Å; R345-F351 HydrophobicContact CG-CE2 4.09Å; R345-F351 HydrophobicContact CG-CZ 4.38Å; R345-F351 WeakPolarHBondContact O-CB 3.47Å
346	R	82.2	Confident	89.2	Confident	107 Å²	107	63.3 Å²	63.3	40%	0.404	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.3	-180	66	-179.9	-178.9	168.6	0.5	116.3	V342	V342-R346 WeakPolarHBondContact O-CA 3.46Å; V342-R346 WeakPolarHBondContact O-CB 3.23Å; V342-R346 PolarHBondContact O-N 3.47Å
347	R	82.4	Confident	89	Confident	223 Å²	223	64.8 Å²	64.8	84%	0.842	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.8	177.3	-67.4	-174.8	177.8	171.5	-0.7	113	R345	R345-R347 PolarHBondContact O-N 2.91Å
348	Q	85.5	Confident	88.8	Confident	122 Å²	122	63.2 Å²	63.2	57%	0.57	28%	0.277	S	S	*	.	S	Bend	trans	-70.3	130	172.1	-105.4	174.4	-43.6	0	0	109.2	R345 F351	R345-Q348 WeakPolarHBondContact O-CB 3.21Å; R345-Q348 PolarHBondContact O-N 3.3Å; Q348-F351 HydrophobicContact CB-CB 3.92Å; Q348-F351 PolarHBondContact O-N 3.43Å
349	K	77.3	Confident	88.5	Confident	206 Å²	206	64.9 Å²	64.9	90%	0.896	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	135.7	171.1	-167	-175.5	176.6	-162.4	0	108.3	F351	K349-F351 VanDerWaalsContact C-N 3.25Å; K349-F351 PolarHBondContact O-N 3.33Å
350	G	74.6	Confident	88	Confident	30 Å²	30	68.6 Å²	68.6	31%	0.309	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-5.1	-178.4	0	0	0	0	0	115.7	R352 E600	G350-R352 PolarHBondContact O-N 2.97Å; G350-E600 WeakPolarHBondContact CA-OE1 3.07Å
351	F	83.4	Confident	87.7	Confident	36 Å²	36	72.2 Å²	72.2	16%	0.158	33%	0.326	C	S	.	.			trans	-70.4	126.2	177.8	-179.4	-101.5	0	0	0	111.7	V341 R345 Q348 K349 I356	V341-F351 HydrophobicContact CG1-CE2 4.37Å; V341-F351 HydrophobicContact CG1-CZ 4.02Å; R345-F351 HydrophobicContact CB-CB 4.28Å; R345-F351 HydrophobicContact CB-CD1 3.53Å; R345-F351 HydrophobicContact CB-CD2 3.49Å; R345-F351 VanDerWaalsContact CB-CD2 3.49Å; R345-F351 HydrophobicContact CB-CE1 3.64Å; R345-F351 HydrophobicContact CB-CE2 3.62Å; R345-F351 HydrophobicContact CB-CG 3.45Å; R345-F351 VanDerWaalsContact CB-CG 3.45Å; R345-F351 HydrophobicContact CB-CZ 3.68Å; R345-F351 HydrophobicContact CG-CD2 4.19Å; R345-F351 HydrophobicContact CG-CE2 4.09Å; R345-F351 HydrophobicContact CG-CZ 4.38Å; R345-F351 WeakPolarHBondContact O-CB 3.47Å; Q348-F351 HydrophobicContact CB-CB 3.92Å; Q348-F351 PolarHBondContact O-N 3.43Å; K349-F351 VanDerWaalsContact C-N 3.25Å; K349-F351 PolarHBondContact O-N 3.33Å; F351-I356 HydrophobicContact CZ-CD1 4.16Å
352	R	82.8	Confident	87.5	Confident	64 Å²	64	72.6 Å²	72.6	24%	0.242	33%	0.325	C	S	.	.			trans	-95.6	141.7	-178.5	-66	169.2	170.6	-176.6	3.9	110.8	G350 R529	G350-R352 PolarHBondContact O-N 2.97Å; R352-R529 VanDerWaalsContact NE-CZ 3.34Å; R352-R529 VanDerWaalsContact NH1-CZ 3.32Å
353	T	90.3	Very high	87.1	Confident	15 Å²	15	72.6 Å²	72.6	9%	0.092	32%	0.324	C	S	.	.	S	Bend	trans	-100.7	-3.7	178.5	52.8	0	0	0	0	112.3	V342 L469 R536 H537	V342-T353 HydrophobicContact CG1-CG2 4.07Å; V342-T353 HydrophobicContact CG2-CG2 4.46Å; T353-L469 VanDerWaalsContact O-CD2 3.25Å; T353-L469 WeakPolarHBondContact O-CD2 3.48Å; T353-R536 PolarHBondContact OG1-O 3.11Å; T353-H537 PolarHBondContact O-ND1 3.43Å
354	D	92.1	Very high	86.7	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	35%	0.346	C	S	.	.	S	Bend	trans	-99.6	152.5	173.5	58.9	-92.9	0	0	0	110.9	I356 R529 D538	D354-I356 PolarHBondContact O-N 3.31Å; D354-I356 VanDerWaalsContact O-N 3.1Å; D354-R529 IonicContact OD1-CZ 2.93Å; D354-R529 IonicContact OD1-NH1 3.65Å; D354-R529 PolarHBondContact OD1-NH1 2.85Å; D354-R529 VanDerWaalsContact OD1-NH1 3.09Å; D354-R529 IonicContact OD2-CZ 3.64Å; D354-R529 IonicContact OD2-NH1 3.01Å; D354-R529 PolarHBondContact OD2-NH1 3.08Å; D354-R529 IonicContact OD2-NH2 3.9Å; D354-R529 PolarHBondContact OD2-NH2 3.22Å; D354-D538 WeakPolarHBondContact CB-O 3.24Å; D354-D538 PolarHBondContact OD1-N 2.79Å
355	H	94.4	Very high	86.3	Confident	24 Å²	24	69.7 Å²	69.7	11%	0.111	33%	0.33	C	S	.	.	S	Bend	trans	46.9	42.6	173.6	-57.1	75.1	0	0	0	113.8	L469 N472 T540 Y609	H355-L469 PolarHBondContact N-O 3.45Å; H355-L469 VanDerWaalsContact N-O 3.11Å; H355-N472 PolarHBondContact CE1-OD1 3.19Å; H355-N472 PolarHBondContact NE2-OD1 2.77Å; H355-T540 PolarHBondContact CE1-OG1 2.96Å; H355-T540 PolarHBondContact NE2-OG1 3.11Å; H355-Y609 HydrophobicContact CB-CD2 4.05Å; H355-Y609 HydrophobicContact CB-CE2 3.67Å; H355-Y609 AromaticContact CD2-CZ 3.74Å; H355-Y609 PolarHBondContact CD2-OH 3.1Å; H355-Y609 WeakPolarHBondContact O-CD2 3.35Å
356	I	93.6	Very high	86.1	Confident	8 Å²	8	70.3 Å²	70.3	4%	0.041	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.2	124.3	-178.9	-58.4	176.3	0	0	0	108.3	L338 V341 V342 F351 D354 L469 H470	L338-I356 HydrophobicContact CD1-CB 4.3Å; L338-I356 HydrophobicContact CD2-CB 4.5Å; L338-I356 HydrophobicContact CD2-CG2 4.03Å; V341-I356 HydrophobicContact CG1-CG2 4.17Å; V342-I356 HydrophobicContact CG2-CD1 3.38Å; F351-I356 HydrophobicContact CZ-CD1 4.16Å; D354-I356 PolarHBondContact O-N 3.31Å; D354-I356 VanDerWaalsContact O-N 3.1Å; I356-L469 HydrophobicContact CD1-CB 4.33Å; I356-L469 HydrophobicContact CD1-CD2 4.19Å; I356-L469 PolarHBondContact N-O 3.4Å; I356-H470 PolarHBondContact O-ND1 3.26Å
357	P	91.8	Very high	86.6	Confident	33 Å²	33	65.3 Å²	65.3	21%	0.214	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.3	148.5	179.2	27	-34.6	0	0	0	111.1	P359	P357-P359 VanDerWaalsContact O-CD 3.31Å; P357-P359 WeakPolarHBondContact O-CD 3.43Å
358	I	91.5	Very high	87.1	Confident	18 Å²	18	54.7 Å²	54.7	9%	0.092	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.4	121.4	177.5	-61.3	174.4	0	0	0	108.2	P336 Y362 W363 M375 F466 F612	P336-I358 HydrophobicContact CB-CG2 4.25Å; P336-I358 HydrophobicContact CG-CD1 4.39Å; P336-I358 HydrophobicContact CG-CG1 4.15Å; P336-I358 HydrophobicContact CG-CG2 3.79Å; I358-Y362 HydrophobicContact CG2-CD1 3.57Å; I358-Y362 HydrophobicContact CG2-CE1 4.38Å; I358-Y362 HydrophobicContact CG2-CG 3.99Å; I358-W363 HydrophobicContact CD1-CZ2 3.99Å; I358-W363 HydrophobicContact CG2-CZ2 4.01Å; I358-M375 HydrophobicContact CD1-SD 4.34Å; I358-F466 HydrophobicContact CD1-CE2 4.27Å; I358-F466 HydrophobicContact CD1-CZ 4.38Å; I358-F466 HydrophobicContact CG1-CE2 4.25Å; I358-F612 HydrophobicContact CD1-CD2 4.02Å; I358-F612 HydrophobicContact CD1-CE2 3.9Å
359	P	89.5	Confident	87.5	Confident	36 Å²	36	49.7 Å²	49.7	23%	0.234	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.7	137.1	179.5	-26.8	37.5	0	0	0	112.5	L338 V341 P357 N361 Y362	L338-P359 HydrophobicContact CD2-CG 4.35Å; V341-P359 HydrophobicContact CG2-CG 4.23Å; P357-P359 VanDerWaalsContact O-CD 3.31Å; P357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-N361 WeakPolarHBondContact CB-OD1 3.48Å; P359-N361 PolarHBondContact O-N 3.49Å; P359-Y362 WeakPolarHBondContact O-CB 3.33Å; P359-Y362 PolarHBondContact O-N 2.97Å
360	D	86.3	Confident	88.5	Confident	80 Å²	80	39.9 Å²	39.9	43%	0.428	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-53.6	-33.4	-179.5	-74.2	-15.3	0	0	0	113.3	Y362 W363	D360-Y362 PolarHBondContact O-N 3.04Å; D360-W363 PolarHBondContact O-N 2.72Å
361	N	85.5	Confident	89.7	Confident	112 Å²	112	38.4 Å²	38.4	60%	0.599	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-69.4	-18.5	-179.8	68.4	-46.8	0	0	0	114.2	P359 W363 F364	P359-N361 WeakPolarHBondContact CB-OD1 3.48Å; P359-N361 PolarHBondContact O-N 3.49Å; N361-W363 VanDerWaalsContact C-N 3.28Å; N361-W363 PolarHBondContact O-N 2.89Å; N361-F364 HydrophobicContact CB-CD2 4.07Å; N361-F364 HydrophobicContact CB-CE2 4.31Å; N361-F364 PolarHBondContact O-N 3.4Å
362	Y	89.2	Confident	90.2	Very high	33 Å²	33	37.5 Å²	37.5	13%	0.129	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.8	-42.8	172.7	172.3	-104.3	0	0	0	111	N334 P336 I358 P359 D360 F364 G365 V367 M375	N334-Y362 VanDerWaalsContact O-CE2 3.22Å; N334-Y362 WeakPolarHBondContact O-CE2 3.38Å; N334-Y362 PolarHBondContact O-OH 3.33Å; P336-Y362 HydrophobicContact CB-CD2 3.91Å; P336-Y362 HydrophobicContact CB-CE2 4.17Å; P336-Y362 HydrophobicContact CB-CG 4.12Å; P336-Y362 HydrophobicContact CG-CD1 3.84Å; P336-Y362 HydrophobicContact CG-CD2 3.77Å; P336-Y362 HydrophobicContact CG-CE1 3.75Å; P336-Y362 HydrophobicContact CG-CE2 3.68Å; P336-Y362 HydrophobicContact CG-CG 3.84Å; I358-Y362 HydrophobicContact CG2-CD1 3.57Å; I358-Y362 HydrophobicContact CG2-CE1 4.38Å; I358-Y362 HydrophobicContact CG2-CG 3.99Å; P359-Y362 WeakPolarHBondContact O-CB 3.33Å; P359-Y362 PolarHBondContact O-N 2.97Å; D360-Y362 PolarHBondContact O-N 3.04Å; Y362-F364 PolarHBondContact O-N 3.41Å; Y362-G365 PolarHBondContact O-N 3.39Å; Y362-V367 HydrophobicContact CD1-CG2 4.33Å; Y362-V367 HydrophobicContact CE1-CG1 4.44Å; Y362-V367 HydrophobicContact CE1-CG2 3.62Å; Y362-M375 HydrophobicContact CE1-CE 3.94Å; Y362-M375 HydrophobicContact CE1-SD 4.22Å; Y362-M375 WeakPolarHBondContact OH-CE 3.4Å
363	W	85.4	Confident	90.9	Very high	8 Å²	8	34.7 Å²	34.7	3%	0.03	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-70.6	-10.9	-178.3	-57.4	104.5	0	0	0	114.1	I358 D360 N361 G365 V367 Y372 M375 F612 D613 P614 Y615 Q617	I358-W363 HydrophobicContact CD1-CZ2 3.99Å; I358-W363 HydrophobicContact CG2-CZ2 4.01Å; D360-W363 PolarHBondContact O-N 2.72Å; N361-W363 VanDerWaalsContact C-N 3.28Å; N361-W363 PolarHBondContact O-N 2.89Å; W363-G365 VanDerWaalsContact C-N 3.28Å; W363-V367 HydrophobicContact CE3-CG2 4.18Å; W363-V367 HydrophobicContact CZ3-CG2 4.34Å; W363-Y372 HydrophobicContact CH2-CD2 4.16Å; W363-Y372 AromaticContact CH2-CE2 3.89Å; W363-Y372 HydrophobicContact CH2-CE2 3.89Å; W363-Y372 AromaticContact CZ3-CD2 3.88Å; W363-Y372 HydrophobicContact CZ3-CD2 3.88Å; W363-Y372 AromaticContact CZ3-CE2 3.76Å; W363-Y372 HydrophobicContact CZ3-CE2 3.76Å; W363-M375 HydrophobicContact CH2-CE 4.26Å; W363-F612 WeakPolarHBondContact CZ2-O 3.4Å; W363-D613 HydrophobicContact CH2-CB 4.08Å; W363-D613 HydrophobicContact CZ2-CB 4.29Å; W363-D613 HydrophobicContact CZ3-CB 4.46Å; W363-P614 HydrophobicContact CG-CG 4.3Å; W363-Y615 HydrophobicContact CB-CD2 3.55Å; W363-Y615 HydrophobicContact CB-CE2 3.82Å; W363-Y615 HydrophobicContact CG-CD2 4.01Å; W363-Y615 HydrophobicContact CG-CE2 4.35Å; W363-Q617 HydrophobicContact CE3-CG 4.24Å; W363-Q617 PolarHBondContact O-NE2 3.08Å
364	F	83.3	Confident	91.3	Very high	147 Å²	147	34 Å²	34	65%	0.645	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-80.2	-13.7	171	-54.5	-33.3	0	0	0	112.5	N361 Y362 Y615	N361-F364 HydrophobicContact CB-CD2 4.07Å; N361-F364 HydrophobicContact CB-CE2 4.31Å; N361-F364 PolarHBondContact O-N 3.4Å; Y362-F364 PolarHBondContact O-N 3.41Å; F364-Y615 HydrophobicContact CE1-CE1 4.47Å; F364-Y615 AromaticContact CE1-CE2 3.94Å; F364-Y615 HydrophobicContact CE1-CE2 3.94Å; F364-Y615 AromaticContact CE1-CZ 3.69Å; F364-Y615 WeakPolarHBondContact CE1-OH 3.25Å; F364-Y615 WeakPolarHBondContact CZ-OH 3.13Å
365	G	81.8	Confident	91.6	Very high	43 Å²	43	33.7 Å²	33.7	44%	0.443	18%	0.178	S	C	.	.	S	Bend	trans	-83.4	175.1	171.5	0	0	0	0	0	112.7	Y362 W363 V367	Y362-G365 PolarHBondContact O-N 3.39Å; W363-G365 VanDerWaalsContact C-N 3.28Å; G365-V367 PolarHBondContact O-N 3.4Å
366	K	86.2	Confident	91.6	Very high	125 Å²	125	36.9 Å²	36.9	54%	0.543	19%	0.192	S	C	.	.			trans	-83.5	106.5	173.8	-168.7	175.6	-179.6	-174.8	0	109.5	Q327 I329 N334	Q327-K366 VanDerWaalsContact CD-CE 3.43Å; Q327-K366 VanDerWaalsContact OE1-CE 3.23Å; I329-K366 HydrophobicContact CD1-CB 4.47Å; I329-K366 HydrophobicContact CD1-CD 3.73Å; I329-K366 HydrophobicContact CD1-CG 3.79Å; N334-K366 PolarHBondContact ND2-O 2.96Å
367	V	91.1	Very high	91.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.191	C	C	.	.			trans	-86.6	132	172.4	-174.6	0	0	0	0	108.1	Y362 W363 G365 M375 Y621	Y362-V367 HydrophobicContact CD1-CG2 4.33Å; Y362-V367 HydrophobicContact CE1-CG1 4.44Å; Y362-V367 HydrophobicContact CE1-CG2 3.62Å; W363-V367 HydrophobicContact CE3-CG2 4.18Å; W363-V367 HydrophobicContact CZ3-CG2 4.34Å; G365-V367 PolarHBondContact O-N 3.4Å; V367-M375 HydrophobicContact CG1-CE 3.99Å; V367-Y621 PolarHBondContact O-OH 2.84Å
368	A	93.8	Very high	92.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.			trans	-78.4	142.6	174.8	0	0	0	0	0	109.8	N325 I329 L331 N334 E370 T371 Y372	N325-A368 WeakPolarHBondContact ND2-CB 3.28Å; I329-A368 HydrophobicContact CD1-CB 4.12Å; I329-A368 HydrophobicContact CG2-CB 4.49Å; L331-A368 HydrophobicContact CD2-CB 3.5Å; N334-A368 WeakPolarHBondContact OD1-CB 3.19Å; N334-A368 PolarHBondContact OD1-N 3.47Å; A368-E370 WeakPolarHBondContact CB-OE2 3.35Å; A368-E370 PolarHBondContact O-N 2.81Å; A368-T371 WeakPolarHBondContact O-CB 3.45Å; A368-T371 PolarHBondContact O-N 3.35Å; A368-T371 VanDerWaalsContact O-N 3.14Å; A368-Y372 PolarHBondContact O-N 2.95Å
369	P	94.8	Very high	92.2	Very high	16 Å²	16	38 Å²	38	10%	0.104	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-33.1	178.8	23.3	-32.1	0	0	0	112.3	T217 Y372 A373 Y621	T217-P369 WeakPolarHBondContact OG1-CG 3.43Å; P369-Y372 PolarHBondContact O-N 3.22Å; P369-A373 WeakPolarHBondContact O-CB 3.22Å; P369-A373 PolarHBondContact O-N 3.09Å; P369-Y621 HydrophobicContact CB-CD1 3.95Å; P369-Y621 HydrophobicContact CB-CE1 4.18Å; P369-Y621 HydrophobicContact CB-CG 4.49Å
370	E	98.1	Very high	92.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-48.5	174.8	-55.8	82	-176.5	0	0	111.2	S216 T217 L222 M291 N325 L331 A368 Y372 A373 V374	S216-E370 WeakPolarHBondContact CA-OE1 3.3Å; S216-E370 WeakPolarHBondContact CB-OE1 3.08Å; T217-E370 PolarHBondContact N-OE1 3.06Å; T217-E370 PolarHBondContact OG1-OE1 3.02Å; T217-E370 VanDerWaalsContact OG1-OE1 3.14Å; L222-E370 HydrophobicContact CD1-CG 4.43Å; L222-E370 HydrophobicContact CD2-CB 4.12Å; L222-E370 HydrophobicContact CD2-CG 4.36Å; M291-E370 HydrophobicContact CE-CB 4.49Å; M291-E370 WeakPolarHBondContact O-CG 3.44Å; N325-E370 PolarHBondContact ND2-OE2 3.44Å; L331-E370 HydrophobicContact CD1-CB 3.78Å; L331-E370 HydrophobicContact CD1-CG 4.16Å; L331-E370 HydrophobicContact CD2-CB 4.15Å; A368-E370 WeakPolarHBondContact CB-OE2 3.35Å; A368-E370 PolarHBondContact O-N 2.81Å; E370-Y372 VanDerWaalsContact C-N 3.34Å; E370-Y372 PolarHBondContact O-N 3.02Å; E370-A373 PolarHBondContact O-N 2.86Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 3.13Å
371	T	98.1	Very high	92.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-44.5	175.4	-53	0	0	0	0	111.1	N334 F335 A368 V374 M375	N334-T371 HydrophobicContact CB-CG2 4.32Å; N334-T371 VanDerWaalsContact OD1-CB 3.24Å; N334-T371 WeakPolarHBondContact OD1-CB 3.35Å; N334-T371 PolarHBondContact OD1-OG1 2.74Å; F335-T371 HydrophobicContact CD1-CG2 4.01Å; F335-T371 HydrophobicContact CD2-CG2 3.92Å; F335-T371 HydrophobicContact CE1-CG2 4Å; F335-T371 HydrophobicContact CE2-CG2 3.89Å; F335-T371 HydrophobicContact CG-CG2 3.97Å; F335-T371 HydrophobicContact CZ-CG2 3.94Å; A368-T371 WeakPolarHBondContact O-CB 3.45Å; A368-T371 PolarHBondContact O-N 3.35Å; A368-T371 VanDerWaalsContact O-N 3.14Å; T371-V374 PolarHBondContact O-N 2.64Å; T371-M375 HydrophobicContact CG2-CE 4.09Å; T371-M375 HydrophobicContact CG2-CG 4.37Å; T371-M375 HydrophobicContact CG2-SD 4.36Å; T371-M375 VanDerWaalsContact O-CG 3.32Å; T371-M375 WeakPolarHBondContact O-CG 3.47Å; T371-M375 PolarHBondContact O-N 3.03Å
372	Y	95.7	Very high	93.5	Very high	16 Å²	16	33.6 Å²	33.6	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-48.2	178.2	-171.8	-83.5	0	0	0	111.8	W363 A368 P369 E370 V374 M375 K376 F612 D613 Y618 Y621	W363-Y372 HydrophobicContact CH2-CD2 4.16Å; W363-Y372 AromaticContact CH2-CE2 3.89Å; W363-Y372 HydrophobicContact CH2-CE2 3.89Å; W363-Y372 AromaticContact CZ3-CD2 3.88Å; W363-Y372 HydrophobicContact CZ3-CD2 3.88Å; W363-Y372 AromaticContact CZ3-CE2 3.76Å; W363-Y372 HydrophobicContact CZ3-CE2 3.76Å; A368-Y372 PolarHBondContact O-N 2.95Å; P369-Y372 PolarHBondContact O-N 3.22Å; E370-Y372 VanDerWaalsContact C-N 3.34Å; E370-Y372 PolarHBondContact O-N 3.02Å; Y372-V374 VanDerWaalsContact C-N 3.33Å; Y372-V374 PolarHBondContact O-N 3.18Å; Y372-M375 PolarHBondContact O-N 3.29Å; Y372-K376 WeakPolarHBondContact O-CB 3.36Å; Y372-K376 PolarHBondContact O-N 2.68Å; Y372-F612 HydrophobicContact CE1-CE1 4.26Å; Y372-F612 HydrophobicContact CE2-CE1 4.11Å; Y372-F612 AromaticContact CZ-CE1 3.8Å; Y372-D613 HydrophobicContact CE2-CB 4.21Å; Y372-D613 VanDerWaalsContact CE2-OD2 3.27Å; Y372-D613 WeakPolarHBondContact CE2-OD2 3.19Å; Y372-D613 PolarHBondContact OH-OD2 3.33Å; Y372-Y618 HydrophobicContact CD1-CD2 4.32Å; Y372-Y618 AromaticContact CE1-CD2 3.63Å; Y372-Y618 HydrophobicContact CE1-CD2 3.63Å; Y372-Y618 HydrophobicContact CE1-CG 4.25Å; Y372-Y618 WeakPolarHBondContact OH-CB 3.46Å; Y372-Y621 HydrophobicContact CD2-CE2 4.39Å; Y372-Y621 HydrophobicContact CG-CE2 4.47Å
373	A	96.8	Very high	93.9	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	17%	0.167	C	C	.	.	H	α-helix	trans	-57.4	-46.2	177.9	0	0	0	0	0	111.5	I213 L222 P369 E370 K376 W377	I213-A373 HydrophobicContact CG1-CB 4.42Å; I213-A373 WeakPolarHBondContact O-CB 3.36Å; L222-A373 HydrophobicContact CD2-CB 4.28Å; P369-A373 WeakPolarHBondContact O-CB 3.22Å; P369-A373 PolarHBondContact O-N 3.09Å; E370-A373 PolarHBondContact O-N 2.86Å; A373-K376 PolarHBondContact O-N 2.9Å; A373-W377 WeakPolarHBondContact O-CB 3.32Å; A373-W377 PolarHBondContact O-N 3.45Å
374	V	98.6	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.4	-41.9	179.1	172.6	0	0	0	0	112.3	I213 L288 M291 F335 E370 T371 Y372 K376 W377 I378 M463	I213-V374 HydrophobicContact CD1-CG2 3.87Å; L288-V374 HydrophobicContact CD2-CG2 4.29Å; M291-V374 HydrophobicContact CE-CB 4.1Å; M291-V374 HydrophobicContact CE-CG2 3.76Å; M291-V374 HydrophobicContact CG-CG2 4.06Å; M291-V374 HydrophobicContact SD-CG2 3.92Å; F335-V374 HydrophobicContact CE1-CG1 4.19Å; F335-V374 HydrophobicContact CZ-CB 4.27Å; F335-V374 HydrophobicContact CZ-CG1 3.92Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 3.13Å; T371-V374 PolarHBondContact O-N 2.64Å; Y372-V374 VanDerWaalsContact C-N 3.33Å; Y372-V374 PolarHBondContact O-N 3.18Å; V374-K376 VanDerWaalsContact C-N 3.31Å; V374-K376 PolarHBondContact O-N 2.96Å; V374-W377 WeakPolarHBondContact O-CB 3.42Å; V374-W377 PolarHBondContact O-N 2.87Å; V374-I378 HydrophobicContact CG1-CD1 3.79Å; V374-I378 HydrophobicContact CG1-CG1 4.29Å; V374-I378 VanDerWaalsContact O-CG1 3.3Å; V374-I378 WeakPolarHBondContact O-CG1 3.17Å; V374-I378 PolarHBondContact O-N 3.05Å; V374-M463 HydrophobicContact CG1-SD 3.79Å
375	M	97.4	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-41.3	175.2	-72.6	-171.3	-63	0	0	111.9	F335 P336 I358 Y362 W363 V367 T371 Y372 W377 R379 F466 F612	F335-M375 HydrophobicContact CD1-CG 3.7Å; F335-M375 HydrophobicContact CD1-SD 4.28Å; F335-M375 HydrophobicContact CE1-CG 3.63Å; P336-M375 VanDerWaalsContact CD-SD 3.6Å; P336-M375 HydrophobicContact CG-SD 3.99Å; I358-M375 HydrophobicContact CD1-SD 4.34Å; Y362-M375 HydrophobicContact CE1-CE 3.94Å; Y362-M375 HydrophobicContact CE1-SD 4.22Å; Y362-M375 WeakPolarHBondContact OH-CE 3.4Å; W363-M375 HydrophobicContact CH2-CE 4.26Å; V367-M375 HydrophobicContact CG1-CE 3.99Å; T371-M375 HydrophobicContact CG2-CE 4.09Å; T371-M375 HydrophobicContact CG2-CG 4.37Å; T371-M375 HydrophobicContact CG2-SD 4.36Å; T371-M375 VanDerWaalsContact O-CG 3.32Å; T371-M375 WeakPolarHBondContact O-CG 3.47Å; T371-M375 PolarHBondContact O-N 3.03Å; Y372-M375 PolarHBondContact O-N 3.29Å; M375-W377 VanDerWaalsContact C-N 3.34Å; M375-R379 PolarHBondContact O-N 2.82Å; M375-F466 HydrophobicContact CB-CE1 4.16Å; M375-F466 HydrophobicContact CB-CZ 4.11Å; M375-F466 HydrophobicContact CG-CD1 4.4Å; M375-F466 HydrophobicContact CG-CE1 3.68Å; M375-F466 HydrophobicContact CG-CE2 4.39Å; M375-F466 HydrophobicContact CG-CZ 3.66Å; M375-F466 HydrophobicContact SD-CE2 4.18Å; M375-F466 HydrophobicContact SD-CZ 3.96Å; M375-F612 HydrophobicContact CB-CE2 3.98Å; M375-F612 HydrophobicContact CB-CZ 3.71Å
376	K	95.5	Very high	96.1	Very high	92 Å²	92	22.9 Å²	22.9	40%	0.4	12%	0.115	S	C	.	.	H	α-helix	trans	-63.7	-42.8	175.6	-177.6	-177.8	177.1	-176.1	0	110.7	Y372 A373 V374 R379 S380 F612	Y372-K376 WeakPolarHBondContact O-CB 3.36Å; Y372-K376 PolarHBondContact O-N 2.68Å; A373-K376 PolarHBondContact O-N 2.9Å; V374-K376 VanDerWaalsContact C-N 3.31Å; V374-K376 PolarHBondContact O-N 2.96Å; K376-R379 PolarHBondContact O-N 2.84Å; K376-S380 PolarHBondContact O-N 3.49Å; K376-S380 PolarHBondContact O-OG 3.06Å; K376-F612 HydrophobicContact CB-CE1 3.99Å; K376-F612 HydrophobicContact CB-CZ 4.08Å
377	W	97.9	Very high	96.7	Very high	7 Å²	7	17 Å²	17	3%	0.027	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-43.8	178.8	179.3	46.5	0	0	0	112.8	Y211 I213 V224 K242 V244 H286 L288 A373 V374 M375 R379 S380 I381 F383	Y211-W377 PolarHBondContact OH-NE1 3.4Å; I213-W377 HydrophobicContact CB-CB 4.28Å; I213-W377 HydrophobicContact CB-CG 4.39Å; I213-W377 HydrophobicContact CD1-CB 4.36Å; I213-W377 HydrophobicContact CD1-CD2 4.27Å; I213-W377 HydrophobicContact CD1-CE3 4.02Å; I213-W377 HydrophobicContact CD1-CG 4.45Å; I213-W377 HydrophobicContact CG2-CB 4.02Å; I213-W377 HydrophobicContact CG2-CD2 4.03Å; I213-W377 HydrophobicContact CG2-CG 3.64Å; V224-W377 HydrophobicContact CG1-CZ2 4.24Å; V224-W377 HydrophobicContact CG2-CZ2 4.34Å; K242-W377 HydrophobicContact CB-CH2 3.58Å; K242-W377 HydrophobicContact CB-CZ2 3.99Å; K242-W377 HydrophobicContact CB-CZ3 4.38Å; K242-W377 HydrophobicContact CD-CE3 4.1Å; K242-W377 HydrophobicContact CD-CH2 3.55Å; K242-W377 HydrophobicContact CD-CZ2 4.12Å; K242-W377 HydrophobicContact CD-CZ3 3.53Å; K242-W377 HydrophobicContact CG-CH2 4.2Å; V244-W377 HydrophobicContact CG2-CH2 4.4Å; V244-W377 HydrophobicContact CG2-CZ3 3.9Å; H286-W377 HydrophobicContact CB-CH2 4.34Å; H286-W377 HydrophobicContact CB-CZ2 3.68Å; L288-W377 HydrophobicContact CB-CH2 4.35Å; L288-W377 HydrophobicContact CB-CZ3 4.43Å; L288-W377 HydrophobicContact CD2-CZ3 4.25Å; A373-W377 WeakPolarHBondContact O-CB 3.32Å; A373-W377 PolarHBondContact O-N 3.45Å; V374-W377 WeakPolarHBondContact O-CB 3.42Å; V374-W377 PolarHBondContact O-N 2.87Å; M375-W377 VanDerWaalsContact C-N 3.34Å; W377-R379 PolarHBondContact O-N 2.8Å; W377-S380 WeakPolarHBondContact CA-OG 3.25Å; W377-S380 PolarHBondContact O-N 3.05Å; W377-S380 PolarHBondContact O-OG 2.63Å; W377-I381 PolarHBondContact O-N 2.79Å; W377-F383 HydrophobicContact CD2-CE2 4.03Å; W377-F383 HydrophobicContact CD2-CZ 4.21Å; W377-F383 AromaticContact CE2-CE2 3.68Å; W377-F383 AromaticContact CE2-CZ 3.39Å; W377-F383 HydrophobicContact CG-CE2 4.31Å; W377-F383 HydrophobicContact CH2-CZ 4.25Å; W377-F383 HydrophobicContact CZ2-CE1 4.25Å; W377-F383 HydrophobicContact CZ2-CE2 4.05Å; W377-F383 AromaticContact CZ2-CZ 3.41Å; W377-F383 HydrophobicContact CZ2-CZ 3.41Å; W377-F383 VanDerWaalsContact CZ2-CZ 3.41Å; W377-F383 AromaticContact NE1-CE2 3.7Å; W377-F383 AromaticContact NE1-CZ 3.44Å
378	I	98.1	Very high	97.1	Very high	3 Å²	3	17 Å²	17	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-55.9	-36	174.5	-72.8	164.9	0	0	0	111.4	V374 F466	V374-I378 HydrophobicContact CG1-CD1 3.79Å; V374-I378 HydrophobicContact CG1-CG1 4.29Å; V374-I378 VanDerWaalsContact O-CG1 3.3Å; V374-I378 WeakPolarHBondContact O-CG1 3.17Å; V374-I378 PolarHBondContact O-N 3.05Å; I378-F466 HydrophobicContact CD1-CD1 3.9Å; I378-F466 HydrophobicContact CD1-CE1 3.9Å; I378-F466 HydrophobicContact CG2-CE1 4.33Å
379	R	93.9	Very high	97.3	Very high	72 Å²	72	17 Å²	17	27%	0.272	9%	0.09	S	C	.	.	H	α-helix	trans	-80.8	-24.6	177.4	-76.3	-173.5	64.2	149	-4.1	114.6	M375 K376 W377 Y609 F612	M375-R379 PolarHBondContact O-N 2.82Å; K376-R379 PolarHBondContact O-N 2.84Å; W377-R379 PolarHBondContact O-N 2.8Å; R379-Y609 PolarHBondContact NH1-O 3Å; R379-Y609 PolarHBondContact NH2-O 3.4Å; R379-F612 VanDerWaalsContact CD-CE2 3.46Å; R379-F612 HydrophobicContact CG-CD2 4.42Å; R379-F612 HydrophobicContact CG-CE2 4.37Å; R379-F612 VanDerWaalsContact NH1-CA 3.25Å; R379-F612 VanDerWaalsContact NH1-CB 3.29Å
380	S	93.9	Very high	97.3	Very high	81 Å²	81	16.7 Å²	16.7	57%	0.566	9%	0.087	S	C	*	.	H	α-helix	trans	-80.9	-21	-172.6	58.5	0	0	0	0	113.8	K376 W377	K376-S380 PolarHBondContact O-N 3.49Å; K376-S380 PolarHBondContact O-OG 3.06Å; W377-S380 WeakPolarHBondContact CA-OG 3.25Å; W377-S380 PolarHBondContact O-N 3.05Å; W377-S380 PolarHBondContact O-OG 2.63Å
381	I	96.3	Very high	97	Very high	21 Å²	21	17.1 Å²	17.1	11%	0.108	9%	0.09	C	C	.	.	S	Bend	trans	-127.8	137.5	-175.5	-59.8	-177.9	0	0	0	108.1	E240 W377 F383	E240-I381 HydrophobicContact CB-CG2 3.66Å; E240-I381 HydrophobicContact CG-CG2 3.54Å; W377-I381 PolarHBondContact O-N 2.79Å; I381-F383 HydrophobicContact CB-CD2 4Å; I381-F383 HydrophobicContact CB-CE1 4.29Å; I381-F383 HydrophobicContact CB-CE2 3.62Å; I381-F383 HydrophobicContact CB-CG 4.49Å; I381-F383 HydrophobicContact CB-CZ 3.77Å; I381-F383 HydrophobicContact CD1-CE2 4.31Å; I381-F383 HydrophobicContact CD1-CZ 3.84Å; I381-F383 HydrophobicContact CG1-CE2 4.36Å; I381-F383 HydrophobicContact CG1-CZ 4.32Å; I381-F383 HydrophobicContact CG2-CD1 4.06Å; I381-F383 HydrophobicContact CG2-CD2 4.27Å; I381-F383 HydrophobicContact CG2-CE1 3.79Å; I381-F383 HydrophobicContact CG2-CE2 4.05Å; I381-F383 HydrophobicContact CG2-CG 4.29Å; I381-F383 HydrophobicContact CG2-CZ 3.78Å; I381-F383 PolarHBondContact O-N 2.91Å
382	P	96.9	Very high	96.3	Very high	33 Å²	33	18.8 Å²	18.8	21%	0.214	11%	0.106	C	C	.	.			trans	-75.5	61.4	-179.8	31.9	-35.6	0	0	0	112.3	E240 V384 A542 W548	E240-P382 HydrophobicContact CG-CG 3.86Å; P382-V384 PolarHBondContact O-N 2.77Å; P382-A542 HydrophobicContact CB-CB 4.01Å; P382-A542 HydrophobicContact CG-CB 4.21Å; P382-W548 HydrophobicContact CB-CZ3 4.27Å; P382-W548 HydrophobicContact CG-CZ3 4.43Å
383	F	98.8	Very high	95.8	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	132.6	179.8	-71.7	-61.1	0	0	0	112.4	E240 K242 H286 W377 I381 N472 C473	E240-F383 HydrophobicContact CB-CD1 4.01Å; E240-F383 HydrophobicContact CB-CE1 4.45Å; K242-F383 HydrophobicContact CB-CD1 3.92Å; K242-F383 HydrophobicContact CB-CE1 3.57Å; K242-F383 HydrophobicContact CB-CZ 4.01Å; K242-F383 HydrophobicContact CD-CD1 4.07Å; K242-F383 HydrophobicContact CD-CD2 3.81Å; K242-F383 HydrophobicContact CD-CE1 4.03Å; K242-F383 HydrophobicContact CD-CE2 3.74Å; K242-F383 HydrophobicContact CD-CG 3.97Å; K242-F383 HydrophobicContact CD-CZ 3.87Å; K242-F383 HydrophobicContact CG-CD1 3.75Å; K242-F383 HydrophobicContact CG-CD2 4.38Å; K242-F383 HydrophobicContact CG-CE1 3.86Å; K242-F383 HydrophobicContact CG-CE2 4.44Å; K242-F383 HydrophobicContact CG-CG 4.04Å; K242-F383 HydrophobicContact CG-CZ 4.2Å; H286-F383 HydrophobicContact CB-CE1 4.2Å; H286-F383 HydrophobicContact CB-CZ 4.42Å; H286-F383 AromaticContact CD2-CE1 3.52Å; H286-F383 AromaticContact CG-CE1 3.96Å; W377-F383 HydrophobicContact CD2-CE2 4.03Å; W377-F383 HydrophobicContact CD2-CZ 4.21Å; W377-F383 AromaticContact CE2-CE2 3.68Å; W377-F383 AromaticContact CE2-CZ 3.39Å; W377-F383 HydrophobicContact CG-CE2 4.31Å; W377-F383 HydrophobicContact CH2-CZ 4.25Å; W377-F383 HydrophobicContact CZ2-CE1 4.25Å; W377-F383 HydrophobicContact CZ2-CE2 4.05Å; W377-F383 AromaticContact CZ2-CZ 3.41Å; W377-F383 HydrophobicContact CZ2-CZ 3.41Å; W377-F383 VanDerWaalsContact CZ2-CZ 3.41Å; W377-F383 AromaticContact NE1-CE2 3.7Å; W377-F383 AromaticContact NE1-CZ 3.44Å; I381-F383 HydrophobicContact CB-CD2 4Å; I381-F383 HydrophobicContact CB-CE1 4.29Å; I381-F383 HydrophobicContact CB-CE2 3.62Å; I381-F383 HydrophobicContact CB-CG 4.49Å; I381-F383 HydrophobicContact CB-CZ 3.77Å; I381-F383 HydrophobicContact CD1-CE2 4.31Å; I381-F383 HydrophobicContact CD1-CZ 3.84Å; I381-F383 HydrophobicContact CG1-CE2 4.36Å; I381-F383 HydrophobicContact CG1-CZ 4.32Å; I381-F383 HydrophobicContact CG2-CD1 4.06Å; I381-F383 HydrophobicContact CG2-CD2 4.27Å; I381-F383 HydrophobicContact CG2-CE1 3.79Å; I381-F383 HydrophobicContact CG2-CE2 4.05Å; I381-F383 HydrophobicContact CG2-CG 4.29Å; I381-F383 HydrophobicContact CG2-CZ 3.78Å; I381-F383 PolarHBondContact O-N 2.91Å; F383-N472 CarbonylContact O-C 3.47Å; F383-C473 HydrophobicContact CB-CB 3.8Å; F383-C473 VanDerWaalsContact O-CA 3.26Å; F383-C473 WeakPolarHBondContact O-CA 3.09Å; F383-C473 WeakPolarHBondContact O-CB 3.44Å; F383-C473 PolarHBondContact O-N 3.11Å
384	V	98.7	Very high	95.3	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-48.7	-178.8	-178.4	0	0	0	0	110.9	P239 E240 P382 F474 T509 W548 L550	P239-V384 HydrophobicContact CB-CB 4.41Å; P239-V384 HydrophobicContact CB-CG2 3.92Å; E240-V384 PolarHBondContact O-N 3.48Å; P382-V384 PolarHBondContact O-N 2.77Å; V384-F474 PolarHBondContact O-N 2.8Å; V384-T509 HydrophobicContact CB-CG2 4.06Å; V384-T509 HydrophobicContact CG1-CG2 4.16Å; V384-W548 HydrophobicContact CB-CB 4.38Å; V384-W548 HydrophobicContact CG1-CB 3.77Å; V384-W548 HydrophobicContact CG2-CB 3.63Å; V384-W548 HydrophobicContact CG2-CD2 3.76Å; V384-W548 HydrophobicContact CG2-CE3 3.8Å; V384-W548 HydrophobicContact CG2-CG 3.69Å; V384-L550 HydrophobicContact CG1-CD1 4.34Å; V384-L550 HydrophobicContact CG1-CD2 4.12Å; V384-L550 HydrophobicContact CG1-CG 4.05Å
385	L	98.9	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.8	-176.7	-174.9	63.9	0	0	0	110.7	M241 K242 L424 F474 F505 A508 T509 L550	M241-L385 VanDerWaalsContact CA-O 3.28Å; M241-L385 WeakPolarHBondContact CA-O 3.18Å; M241-L385 HydrophobicContact CB-CB 4.43Å; M241-L385 WeakPolarHBondContact CB-O 3.44Å; K242-L385 PolarHBondContact N-O 3.34Å; K242-L385 VanDerWaalsContact N-O 3.07Å; L385-L424 HydrophobicContact CD1-CD1 3.7Å; L385-L424 HydrophobicContact CD1-CD2 3.87Å; L385-L424 HydrophobicContact CD1-CG 4.31Å; L385-L424 HydrophobicContact CD2-CD2 4.22Å; L385-F474 CarbonylContact C-O 3.57Å; L385-F474 WeakPolarHBondContact CA-O 3.42Å; L385-F474 HydrophobicContact CD1-CB 4.27Å; L385-F474 WeakPolarHBondContact CD1-O 3.4Å; L385-F505 HydrophobicContact CD1-CE1 4.22Å; L385-F505 HydrophobicContact CD1-CE2 4.47Å; L385-F505 HydrophobicContact CD1-CZ 3.75Å; L385-F505 HydrophobicContact CD2-CD1 4.3Å; L385-F505 HydrophobicContact CD2-CE1 3.9Å; L385-F505 HydrophobicContact CD2-CE2 4.49Å; L385-F505 HydrophobicContact CD2-CZ 4.01Å; L385-F505 VanDerWaalsContact CD2-O 3.32Å; L385-F505 WeakPolarHBondContact CD2-O 3.45Å; L385-F505 HydrophobicContact CG-CE1 3.83Å; L385-F505 HydrophobicContact CG-CZ 3.89Å; L385-A508 HydrophobicContact CD2-CB 4.03Å; L385-T509 HydrophobicContact CB-CG2 4.1Å; L385-T509 WeakPolarHBondContact CD2-OG1 3.34Å; L385-L550 HydrophobicContact CB-CD1 4.45Å; L385-L550 HydrophobicContact CD1-CD1 4.06Å
386	S	98.9	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.7	177	-177.3	0	0	0	0	113.2	K242 C473 F474 E475 V476 F505	K242-S386 PolarHBondContact NZ-OG 3.47Å; K242-S386 WeakPolarHBondContact O-CA 3.41Å; K242-S386 PolarHBondContact O-OG 3.06Å; S386-C473 WeakPolarHBondContact CB-SG 3.49Å; S386-F474 PolarHBondContact N-O 3.03Å; S386-E475 WeakPolarHBondContact CB-OE2 3.31Å; S386-E475 WeakPolarHBondContact O-CA 3.36Å; S386-E475 PolarHBondContact OG-OE2 2.94Å; S386-V476 PolarHBondContact O-N 3.03Å; S386-V476 VanDerWaalsContact O-N 3.12Å; S386-F505 WeakPolarHBondContact O-CZ 3.25Å
387	A	98.8	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.1	161.1	0	0	0	0	0	110.7	K242 L243 V244 F389 V476 V478 F505	K242-A387 PolarHBondContact O-N 3.44Å; L243-A387 HydrophobicContact CD2-CB 3.97Å; V244-A387 PolarHBondContact N-O 3.13Å; A387-F389 HydrophobicContact CB-CE2 3.97Å; A387-F389 HydrophobicContact CB-CZ 3.98Å; A387-V476 CarbonylContact C-O 3.48Å; A387-V476 VanDerWaalsContact CA-O 3.31Å; A387-V476 WeakPolarHBondContact CA-O 3.44Å; A387-V476 HydrophobicContact CB-CG2 4.02Å; A387-V478 HydrophobicContact CB-CG2 4.26Å; A387-F505 HydrophobicContact CB-CD1 4.14Å; A387-F505 HydrophobicContact CB-CE1 3.56Å; A387-F505 HydrophobicContact CB-CZ 4.03Å
388	S	98.6	Very high	94.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.3	165.3	80.6	0	0	0	0	110.4	V244 M463 V476 T477 V478	V244-S388 CarbonylContact O-C 3.53Å; V244-S388 VanDerWaalsContact O-CA 3.26Å; V244-S388 WeakPolarHBondContact O-CA 3.22Å; S388-M463 VanDerWaalsContact CB-CE 3.45Å; S388-V476 PolarHBondContact N-O 3.03Å; S388-T477 CarbonylContact O-C 3.15Å; S388-T477 WeakPolarHBondContact O-CA 3.43Å; S388-V478 PolarHBondContact O-N 3.43Å
389	F	98.4	Very high	94.9	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.6	-175.1	-64	-88.6	0	0	0	111.6	L243 V244 L258 A387 Y428 V478 L480 L502	L243-F389 HydrophobicContact CB-CE2 4.01Å; L243-F389 HydrophobicContact CD2-CE2 3.85Å; L243-F389 HydrophobicContact CD2-CZ 4.12Å; L243-F389 HydrophobicContact CG-CE2 4.34Å; V244-F389 PolarHBondContact O-N 2.75Å; L258-F389 HydrophobicContact CD1-CD2 3.99Å; L258-F389 HydrophobicContact CD1-CE2 4.33Å; L258-F389 HydrophobicContact CD2-CD2 4.19Å; L258-F389 HydrophobicContact CD2-CE2 3.84Å; L258-F389 HydrophobicContact CD2-CZ 4.45Å; L258-F389 HydrophobicContact CG-CD2 4.23Å; L258-F389 HydrophobicContact CG-CE2 4.38Å; A387-F389 HydrophobicContact CB-CE2 3.97Å; A387-F389 HydrophobicContact CB-CZ 3.98Å; F389-Y428 AromaticContact CE1-CE2 3.75Å; F389-Y428 HydrophobicContact CE1-CE2 3.75Å; F389-Y428 AromaticContact CE1-CZ 3.9Å; F389-Y428 HydrophobicContact CZ-CE2 4.2Å; F389-V478 WeakPolarHBondContact CA-O 3.44Å; F389-V478 HydrophobicContact CD1-CB 3.77Å; F389-V478 HydrophobicContact CD1-CG1 3.94Å; F389-V478 HydrophobicContact CD1-CG2 4.42Å; F389-V478 HydrophobicContact CE1-CB 3.91Å; F389-V478 HydrophobicContact CE1-CG1 4Å; F389-V478 HydrophobicContact CE1-CG2 4.09Å; F389-L480 HydrophobicContact CB-CD1 4.11Å; F389-L480 HydrophobicContact CD1-CD1 4.08Å; F389-L480 HydrophobicContact CD1-CD2 3.97Å; F389-L480 HydrophobicContact CD1-CG 4.19Å; F389-L480 HydrophobicContact CE1-CD2 4.47Å; F389-L502 HydrophobicContact CE1-CD2 3.72Å; F389-L502 HydrophobicContact CE2-CD2 4.29Å; F389-L502 HydrophobicContact CZ-CD2 3.38Å
390	H	95.8	Very high	95.1	Very high	9 Å²	9	14.4 Å²	14.4	4%	0.042	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	171.8	-174.6	-77.6	-86.1	0	0	0	110.9	M247 H248 E251 T477 V478 S479 L480	M247-H390 WeakPolarHBondContact CG-CE1 3.33Å; M247-H390 PolarHBondContact SD-CE1 2.92Å; M247-H390 PolarHBondContact SD-NE2 3.03Å; H248-H390 AromaticContact CE1-CE1 3.24Å; H248-H390 PolarHBondContact CE1-CE1 3.4Å; H248-H390 AromaticContact CE1-ND1 3.39Å; H248-H390 PolarHBondContact CE1-ND1 2.85Å; H248-H390 AromaticContact ND1-CE1 3.41Å; H248-H390 PolarHBondContact ND1-CE1 3.18Å; H248-H390 AromaticContact ND1-ND1 3.21Å; H248-H390 PolarHBondContact ND1-ND1 3.49Å; E251-H390 WeakPolarHBondContact OE2-CA 3.22Å; E251-H390 WeakPolarHBondContact OE2-CB 3.43Å; E251-H390 IonicContact OE2-CE1 3.16Å; E251-H390 IonicContact OE2-CG 2.75Å; E251-H390 IonicContact OE2-ND1 3.65Å; E251-H390 PolarHBondContact OE2-ND1 3.22Å; H390-T477 HydrophobicContact CB-CG2 4.5Å; H390-T477 VanDerWaalsContact CD2-CG2 3.4Å; H390-T477 WeakPolarHBondContact CD2-CG2 3.5Å; H390-V478 PolarHBondContact N-O 2.79Å; H390-S479 WeakPolarHBondContact O-CA 3.36Å; H390-L480 PolarHBondContact O-N 3.33Å
391	S	90.6	Very high	95.2	Very high	9 Å²	9	10.9 Å²	10.9	6%	0.063	6%	0.063	C	C	.	.			trans	-138.6	175.5	170.6	-57	0	0	0	0	110.4	E251	E251-S391 PolarHBondContact OE2-N 3.49Å
392	G	83.8	Confident	95.2	Very high	34 Å²	34	10.9 Å²	10.9	35%	0.351	6%	0.063	S	C	.	.	S	Bend	trans	103.6	-6	-173.6	0	0	0	0	0	113.5	G481 C482	G392-G481 PolarHBondContact N-O 3.44Å; G392-C482 VanDerWaalsContact CA-O 3.29Å; G392-C482 WeakPolarHBondContact CA-O 3.17Å
393	D	85.4	Confident	95.1	Very high	11 Å²	11	9.7 Å²	9.7	6%	0.059	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	172.6	174.3	-145.9	-33.1	0	0	0	109.7	M395 C439 H443 W456 S479 G481	D393-M395 HydrophobicContact CB-CE 4.23Å; D393-M395 WeakPolarHBondContact OD1-CE 3.49Å; D393-M395 WeakPolarHBondContact OD2-CE 3.37Å; D393-C439 VanDerWaalsContact CA-SG 3.59Å; D393-H443 IonicContact OD2-CD2 2.82Å; D393-H443 IonicContact OD2-CE1 3.97Å; D393-H443 IonicContact OD2-NE2 3.42Å; D393-H443 PolarHBondContact OD2-NE2 3.42Å; D393-H443 VanDerWaalsContact OD2-NE2 3.08Å; D393-W456 HydrophobicContact CB-CH2 4.26Å; D393-W456 HydrophobicContact CB-CZ2 3.66Å; D393-W456 VanDerWaalsContact OD2-CZ2 3.22Å; D393-W456 WeakPolarHBondContact OD2-CZ2 3.41Å; D393-W456 PolarHBondContact OD2-NE1 3.37Å; D393-S479 CarbonylContact O-C 3.56Å; D393-S479 WeakPolarHBondContact O-CB 3.39Å; D393-G481 PolarHBondContact N-O 3.44Å; D393-G481 VanDerWaalsContact N-O 3.12Å; D393-G481 CarbonylContact O-C 3.51Å; D393-G481 VanDerWaalsContact O-C 3.22Å; D393-G481 WeakPolarHBondContact O-CA 3.3Å; D393-G481 PolarHBondContact O-N 2.86Å
394	R	86.8	Confident	94.7	Very high	62 Å²	62	13.4 Å²	13.4	23%	0.234	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	85.9	-179.7	-171.6	177.9	166.3	78.8	12.4	111.2	N432 A434 C439 S479	R394-N432 PolarHBondContact NH2-OD1 3.4Å; R394-A434 VanDerWaalsContact NH2-C 3.33Å; R394-A434 VanDerWaalsContact NH2-CA 3.34Å; R394-A434 PolarHBondContact NH2-O 2.79Å; R394-C439 PolarHBondContact N-SG 3.35Å; R394-S479 WeakPolarHBondContact CA-O 3.44Å
395	M	90.4	Very high	94.2	Very high	11 Å²	11	15.7 Å²	15.7	5%	0.054	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	167	-177.1	60.8	-172.9	64.8	0	0	112.1	D393 H443 G449 I451 W456 S479	D393-M395 HydrophobicContact CB-CE 4.23Å; D393-M395 WeakPolarHBondContact OD1-CE 3.49Å; D393-M395 WeakPolarHBondContact OD2-CE 3.37Å; M395-H443 VanDerWaalsContact CE-CD2 3.41Å; M395-H443 WeakPolarHBondContact CE-CD2 3.44Å; M395-G449 CarbonylContact C-O 3.22Å; M395-G449 VanDerWaalsContact CA-O 3.3Å; M395-G449 WeakPolarHBondContact CA-O 3.31Å; M395-I451 HydrophobicContact CG-CG2 4.32Å; M395-I451 HydrophobicContact SD-CB 4.44Å; M395-I451 HydrophobicContact SD-CG2 3.42Å; M395-I451 WeakPolarHBondContact SD-CG2 3.45Å; M395-W456 HydrophobicContact SD-CD2 3.81Å; M395-W456 HydrophobicContact SD-CE3 4.33Å; M395-W456 HydrophobicContact SD-CG 4.04Å; M395-W456 HydrophobicContact SD-CZ2 4.18Å; M395-S479 PolarHBondContact N-O 3.01Å; M395-S479 VanDerWaalsContact N-O 3.09Å; M395-S479 PolarHBondContact O-N 3.3Å
396	V	95.3	Very high	93.4	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.8	167.6	-170.1	0	0	0	0	109.3	A425 Y428 A429 G449 V450 I451 V476 T477 V478	V396-A425 HydrophobicContact CB-CB 4.07Å; V396-A425 HydrophobicContact CG1-CB 3.64Å; V396-Y428 HydrophobicContact CG2-CD1 3.89Å; V396-Y428 HydrophobicContact CG2-CG 4.33Å; V396-A429 HydrophobicContact CG2-CB 3.98Å; V396-G449 PolarHBondContact N-O 3.34Å; V396-V450 HydrophobicContact CB-CG2 4.44Å; V396-V450 WeakPolarHBondContact O-CA 3.4Å; V396-I451 PolarHBondContact O-N 3.46Å; V396-I451 VanDerWaalsContact O-N 3.07Å; V396-V476 HydrophobicContact CG1-CB 4.11Å; V396-V476 HydrophobicContact CG1-CG2 4.08Å; V396-T477 CarbonylContact C-O 3.5Å; V396-T477 WeakPolarHBondContact CA-O 3.27Å; V396-V478 HydrophobicContact CG1-CG2 4.18Å; V396-V478 HydrophobicContact CG2-CG2 4.37Å
397	S	96.1	Very high	92.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.6	173.4	177.4	0	0	0	0	110.5	I451 G453 Q464 T477	S397-I451 VanDerWaalsContact CA-O 3.27Å; S397-I451 WeakPolarHBondContact CA-O 3.45Å; S397-G453 WeakPolarHBondContact OG-CA 3.47Å; S397-G453 PolarHBondContact OG-N 2.89Å; S397-Q464 PolarHBondContact O-OE1 2.89Å; S397-T477 PolarHBondContact N-O 2.83Å; S397-T477 PolarHBondContact O-N 3.49Å
398	Y	98.1	Very high	91.7	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.6	176.5	63.2	-87	0	0	0	112.8	F421 K422 A425 V450 I451 N452 G453	Y398-F421 HydrophobicContact CD2-CB 3.77Å; Y398-F421 HydrophobicContact CG-CB 4.08Å; Y398-K422 HydrophobicContact CE1-CG 4.16Å; Y398-K422 HydrophobicContact CE2-CG 3.99Å; Y398-K422 WeakPolarHBondContact OH-CE 3.42Å; Y398-A425 HydrophobicContact CD1-CB 4.11Å; Y398-V450 HydrophobicContact CD1-CG1 3.63Å; Y398-V450 HydrophobicContact CE1-CG1 3.42Å; Y398-V450 VanDerWaalsContact CE1-CG1 3.42Å; Y398-I451 WeakPolarHBondContact CD1-O 3.3Å; Y398-I451 WeakPolarHBondContact CE1-O 3.36Å; Y398-I451 PolarHBondContact N-O 3.17Å; Y398-N452 HydrophobicContact CE1-CB 4.47Å; Y398-N452 HydrophobicContact CE2-CB 3.99Å; Y398-N452 PolarHBondContact O-ND2 3.12Å; Y398-G453 PolarHBondContact O-N 2.83Å
399	P	98.3	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-53.4	156.1	-177.6	-31.5	35.9	0	0	0	115.9	T415 F421 N452 Q464 E475	P399-T415 HydrophobicContact CB-CG2 3.41Å; P399-T415 VanDerWaalsContact CB-CG2 3.41Å; P399-F421 HydrophobicContact CB-CE2 4.35Å; P399-F421 HydrophobicContact CB-CZ 4.28Å; P399-F421 HydrophobicContact CG-CD1 4.16Å; P399-F421 HydrophobicContact CG-CE1 3.68Å; P399-F421 HydrophobicContact CG-CE2 4.25Å; P399-F421 HydrophobicContact CG-CZ 3.72Å; P399-N452 VanDerWaalsContact C-ND2 3.28Å; P399-N452 PolarHBondContact O-ND2 2.82Å; P399-N452 VanDerWaalsContact O-ND2 3.1Å; P399-Q464 VanDerWaalsContact CD-CD 3.48Å; P399-Q464 HydrophobicContact CG-CG 3.54Å; P399-E475 WeakPolarHBondContact CD-O 3.03Å
400	Y	97.8	Very high	91	Very high	5 Å²	5	43 Å²	43	2%	0.02	23%	0.227	C	C	.	.			cis	-80.7	150	-8.4	-69.3	-62.6	0	0	0	112	T339 Y343 S413 T415 N452 A454 D465 Y468 L469	T339-Y400 HydrophobicContact CG2-CD1 3.98Å; T339-Y400 HydrophobicContact CG2-CD2 4.46Å; T339-Y400 HydrophobicContact CG2-CG 3.95Å; Y343-Y400 HydrophobicContact CE1-CD2 4.49Å; Y400-S413 PolarHBondContact N-O 2.88Å; Y400-T415 HydrophobicContact CD1-CG2 3.91Å; Y400-T415 HydrophobicContact CD2-CG2 3.79Å; Y400-T415 HydrophobicContact CE1-CG2 3.82Å; Y400-T415 HydrophobicContact CE2-CG2 3.71Å; Y400-T415 HydrophobicContact CG-CG2 3.89Å; Y400-N452 PolarHBondContact N-ND2 3.32Å; Y400-N452 PolarHBondContact O-ND2 2.02Å; Y400-A454 VanDerWaalsContact O-CB 3.26Å; Y400-A454 WeakPolarHBondContact O-CB 3.44Å; Y400-A454 PolarHBondContact O-N 3.37Å; Y400-D465 VanDerWaalsContact CA-OD1 3.31Å; Y400-D465 WeakPolarHBondContact CA-OD1 3.12Å; Y400-Y468 AromaticContact CE1-CD1 3.84Å; Y400-Y468 HydrophobicContact CE1-CD1 3.84Å; Y400-Y468 HydrophobicContact CE1-CE1 4.15Å; Y400-L469 HydrophobicContact CE1-CD1 3.88Å; Y400-L469 HydrophobicContact CE1-CD2 3.75Å; Y400-L469 HydrophobicContact CE1-CG 3.91Å; Y400-L469 WeakPolarHBondContact OH-CD2 3.02Å
401	D	97.1	Very high	90.8	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	24%	0.239	C	C	.	.			trans	-81.2	-32	172.2	-75.1	-37.8	0	0	0	113.1	G453 A454 S458 I459 Q464 D465	D401-G453 WeakPolarHBondContact OD1-CA 3.28Å; D401-A454 WeakPolarHBondContact O-CA 3.09Å; D401-A454 WeakPolarHBondContact O-CB 3.35Å; D401-A454 PolarHBondContact O-N 3.18Å; D401-S458 WeakPolarHBondContact O-CA 3.18Å; D401-I459 CarbonylContact C-O 3.3Å; D401-I459 HydrophobicContact CB-CD1 4.17Å; D401-I459 HydrophobicContact CB-CG1 3.59Å; D401-I459 PolarHBondContact O-N 3.31Å; D401-I459 VanDerWaalsContact O-N 3.08Å; D401-Q464 PolarHBondContact OD1-NE2 2.93Å; D401-Q464 WeakPolarHBondContact OD2-CB 3.39Å; D401-Q464 PolarHBondContact OD2-NE2 3.44Å; D401-D465 PolarHBondContact N-OD1 3.26Å; D401-D465 PolarHBondContact N-OD2 2.78Å; D401-D465 VanDerWaalsContact N-OD2 3.14Å
402	L	96.4	Very high	91	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.11	25%	0.251	C	S	.	.	S	Bend	trans	-85	125.3	179.1	-178.1	60.7	0	0	0	111.7	D337 T339 T340 Y343 I459 D465	D337-L402 WeakPolarHBondContact OD1-CD2 3.3Å; T339-L402 HydrophobicContact CG2-CB 3.76Å; T339-L402 HydrophobicContact CG2-CD2 4.24Å; T339-L402 HydrophobicContact CG2-CG 4.43Å; T340-L402 VanDerWaalsContact OG1-CD2 3.26Å; T340-L402 WeakPolarHBondContact OG1-CD2 3.48Å; Y343-L402 HydrophobicContact CE2-CD2 4.36Å; Y343-L402 HydrophobicContact CE2-CG 4.2Å; Y343-L402 WeakPolarHBondContact CE2-O 3.37Å; Y343-L402 PolarHBondContact OH-O 3.04Å; L402-I459 WeakPolarHBondContact CA-O 3.2Å; L402-I459 WeakPolarHBondContact CB-O 3.32Å; L402-I459 PolarHBondContact N-O 2.77Å; L402-D465 PolarHBondContact N-OD2 3.29Å
403	S	94.6	Very high	91.5	Very high	8 Å²	8	46.8 Å²	46.8	6%	0.056	24%	0.235	C	C	.	.			trans	-67.1	134.8	173.9	175.5	0	0	0	0	112.9	H405 Q409 M411 S458	S403-H405 PolarHBondContact O-N 2.57Å; S403-H405 VanDerWaalsContact OG-CB 3.28Å; S403-H405 WeakPolarHBondContact OG-CB 3.19Å; S403-H405 PolarHBondContact OG-N 2.7Å; S403-Q409 VanDerWaalsContact CB-O 3.27Å; S403-Q409 WeakPolarHBondContact CB-O 3.18Å; S403-Q409 PolarHBondContact OG-O 2.79Å; S403-M411 WeakPolarHBondContact OG-CG 3.33Å; S403-S458 WeakPolarHBondContact CB-OG 3.31Å; S403-S458 PolarHBondContact N-OG 2.77Å
404	K	90.8	Very high	92	Very high	80 Å²	80	48.7 Å²	48.7	35%	0.348	25%	0.248	S	C	.	.			trans	-76.5	-0.9	170.5	73	-168.9	-179.5	-153.1	0	113.6	Y343 M411 F412 S413	Y343-K404 HydrophobicContact CD1-CB 4.48Å; Y343-K404 HydrophobicContact CD2-CB 4.14Å; Y343-K404 HydrophobicContact CE1-CB 4.14Å; Y343-K404 HydrophobicContact CE2-CB 3.76Å; Y343-K404 HydrophobicContact CG-CB 4.49Å; K404-M411 HydrophobicContact CD-SD 4.24Å; K404-M411 VanDerWaalsContact CE-CE 3.43Å; K404-M411 HydrophobicContact CG-CE 4.28Å; K404-M411 HydrophobicContact CG-CG 4.07Å; K404-M411 HydrophobicContact CG-SD 3.39Å; K404-M411 WeakPolarHBondContact CG-SD 3.49Å; K404-F412 WeakPolarHBondContact CE-O 3.42Å; K404-F412 PolarHBondContact NZ-O 3.06Å; K404-S413 PolarHBondContact N-OG 2.84Å
405	H	88.1	Confident	92.5	Very high	52 Å²	52	46.2 Å²	46.2	24%	0.241	24%	0.239	C	C	.	.			trans	-68.2	130.4	-175.7	-165.7	-94.1	0	0	0	110.5	S403 R407 G408 Q409 M411	S403-H405 PolarHBondContact O-N 2.57Å; S403-H405 VanDerWaalsContact OG-CB 3.28Å; S403-H405 WeakPolarHBondContact OG-CB 3.19Å; S403-H405 PolarHBondContact OG-N 2.7Å; H405-R407 PolarHBondContact ND1-N 2.77Å; H405-R407 VanDerWaalsContact ND1-N 3.16Å; H405-R407 PolarHBondContact O-N 2.88Å; H405-G408 PolarHBondContact O-N 2.9Å; H405-Q409 HydrophobicContact CB-CB 4.3Å; H405-Q409 VanDerWaalsContact CB-O 3.29Å; H405-Q409 WeakPolarHBondContact CB-O 3.38Å; H405-Q409 PolarHBondContact CE1-OE1 3.42Å; H405-M411 VanDerWaalsContact CA-SD 3.56Å; H405-M411 HydrophobicContact CB-CG 4.14Å; H405-M411 HydrophobicContact CB-SD 3.53Å; H405-M411 VanDerWaalsContact CB-SD 3.53Å; H405-M411 PolarHBondContact N-SD 2.65Å; H405-M411 VanDerWaalsContact N-SD 3.42Å
406	P	82.2	Confident	92.8	Very high	128 Å²	128	48 Å²	48	83%	0.831	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.1	-177.2	-25.7	34.4	0	0	0	115
407	R	82.6	Confident	93	Very high	206 Å²	206	48 Å²	48	78%	0.777	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	10.5	177.4	-55.3	-178.3	-178.8	162.6	-1.1	113.7	H405 Q409	H405-R407 PolarHBondContact ND1-N 2.77Å; H405-R407 VanDerWaalsContact ND1-N 3.16Å; H405-R407 PolarHBondContact O-N 2.88Å; R407-Q409 HydrophobicContact CB-CG 4.35Å; R407-Q409 PolarHBondContact O-N 2.98Å
408	G	79	Confident	93.1	Very high	48 Å²	48	49.2 Å²	49.2	50%	0.495	26%	0.258	S	S	.	.			trans	67.2	18.8	-178.6	0	0	0	0	0	115	H405	H405-G408 PolarHBondContact O-N 2.9Å
409	Q	89	Confident	93	Very high	105 Å²	105	56.1 Å²	56.1	49%	0.491	29%	0.288	S	S	.	.			trans	-75.1	147.1	177.2	-66.7	178.6	-22	0	0	110.4	S403 H405 R407 M411	S403-Q409 VanDerWaalsContact CB-O 3.27Å; S403-Q409 WeakPolarHBondContact CB-O 3.18Å; S403-Q409 PolarHBondContact OG-O 2.79Å; H405-Q409 HydrophobicContact CB-CB 4.3Å; H405-Q409 VanDerWaalsContact CB-O 3.29Å; H405-Q409 WeakPolarHBondContact CB-O 3.38Å; H405-Q409 PolarHBondContact CE1-OE1 3.42Å; R407-Q409 HydrophobicContact CB-CG 4.35Å; R407-Q409 PolarHBondContact O-N 2.98Å; Q409-M411 PolarHBondContact O-N 2.57Å
410	N	92.3	Very high	93	Very high	92 Å²	92	56.4 Å²	56.4	49%	0.492	29%	0.29	S	S	.	.			trans	-57.8	125.6	175.8	-63.2	-11.5	0	0	0	109.9	A454 W456 S458	N410-A454 CarbonylContact C-O 3.59Å; N410-A454 VanDerWaalsContact CA-O 3.25Å; N410-A454 WeakPolarHBondContact CA-O 3.19Å; N410-W456 PolarHBondContact ND2-O 2.79Å; N410-S458 PolarHBondContact OD1-N 2.92Å
411	M	92.8	Very high	93.1	Very high	59 Å²	59	56.1 Å²	56.1	29%	0.291	29%	0.289	S	S	.	.			trans	-156.4	149.9	177.1	88.9	178.4	-63.2	0	0	111.2	S403 K404 H405 Q409 S413 A454	S403-M411 WeakPolarHBondContact OG-CG 3.33Å; K404-M411 HydrophobicContact CD-SD 4.24Å; K404-M411 VanDerWaalsContact CE-CE 3.43Å; K404-M411 HydrophobicContact CG-CE 4.28Å; K404-M411 HydrophobicContact CG-CG 4.07Å; K404-M411 HydrophobicContact CG-SD 3.39Å; K404-M411 WeakPolarHBondContact CG-SD 3.49Å; H405-M411 VanDerWaalsContact CA-SD 3.56Å; H405-M411 HydrophobicContact CB-CG 4.14Å; H405-M411 HydrophobicContact CB-SD 3.53Å; H405-M411 VanDerWaalsContact CB-SD 3.53Å; H405-M411 PolarHBondContact N-SD 2.65Å; H405-M411 VanDerWaalsContact N-SD 3.42Å; Q409-M411 PolarHBondContact O-N 2.57Å; M411-S413 PolarHBondContact O-N 3.04Å; M411-S413 VanDerWaalsContact O-N 3.13Å; M411-S413 PolarHBondContact O-OG 2.97Å; M411-A454 PolarHBondContact N-O 2.83Å; M411-A454 CarbonylContact O-C 3.37Å; M411-A454 WeakPolarHBondContact O-CB 3.47Å
412	F	94.3	Very high	93	Very high	71 Å²	71	58.6 Å²	58.6	31%	0.311	30%	0.299	S	S	.	.			trans	-56	117.6	174.8	-176.4	-109.5	0	0	0	112.6	K404 P414 D418 N452	K404-F412 WeakPolarHBondContact CE-O 3.42Å; K404-F412 PolarHBondContact NZ-O 3.06Å; F412-P414 HydrophobicContact CD1-CG 4.2Å; F412-P414 HydrophobicContact CE1-CB 3.67Å; F412-P414 HydrophobicContact CE1-CG 3.62Å; F412-P414 HydrophobicContact CZ-CB 3.67Å; F412-P414 HydrophobicContact CZ-CG 4.17Å; F412-D418 WeakPolarHBondContact CZ-OD1 3.47Å; F412-N452 HydrophobicContact CD2-CB 3.66Å; F412-N452 HydrophobicContact CE2-CB 3.81Å
413	S	95.3	Very high	93	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	31%	0.306	C	S	.	.			trans	-128.6	83	-175.2	-59.8	0	0	0	0	110.6	Y343 Y400 K404 M411 N452	Y343-S413 WeakPolarHBondContact OH-CB 3.37Å; Y400-S413 PolarHBondContact N-O 2.88Å; K404-S413 PolarHBondContact N-OG 2.84Å; M411-S413 PolarHBondContact O-N 3.04Å; M411-S413 VanDerWaalsContact O-N 3.13Å; M411-S413 PolarHBondContact O-OG 2.97Å; S413-N452 PolarHBondContact N-OD1 2.98Å; S413-N452 PolarHBondContact O-ND2 2.86Å
414	P	95.9	Very high	93.2	Very high	51 Å²	51	59.6 Å²	59.6	33%	0.331	30%	0.304	S	S	.	.			trans	-74.4	145.9	-172.5	28.4	-33.7	0	0	0	112.6	F412 D418	F412-P414 HydrophobicContact CD1-CG 4.2Å; F412-P414 HydrophobicContact CE1-CB 3.67Å; F412-P414 HydrophobicContact CE1-CG 3.62Å; F412-P414 HydrophobicContact CZ-CB 3.67Å; F412-P414 HydrophobicContact CZ-CG 4.17Å; P414-D418 HydrophobicContact CB-CB 4Å
415	T	97.1	Very high	93.5	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.055	29%	0.287	C	S	.	.			trans	-78	163.8	163.9	63.6	0	0	0	0	111.8	P399 Y400 D417 D418 F421 Y468	P399-T415 HydrophobicContact CB-CG2 3.41Å; P399-T415 VanDerWaalsContact CB-CG2 3.41Å; Y400-T415 HydrophobicContact CD1-CG2 3.91Å; Y400-T415 HydrophobicContact CD2-CG2 3.79Å; Y400-T415 HydrophobicContact CE1-CG2 3.82Å; Y400-T415 HydrophobicContact CE2-CG2 3.71Å; Y400-T415 HydrophobicContact CG-CG2 3.89Å; T415-D417 PolarHBondContact O-N 3.24Å; T415-D417 PolarHBondContact OG1-N 3.41Å; T415-D418 WeakPolarHBondContact O-CB 3.34Å; T415-D418 PolarHBondContact O-N 3.45Å; T415-D418 PolarHBondContact OG1-N 3.35Å; T415-D418 VanDerWaalsContact OG1-N 3.1Å; T415-F421 HydrophobicContact CG2-CD2 4.28Å; T415-F421 HydrophobicContact CG2-CE2 4.07Å; T415-F421 VanDerWaalsContact OG1-CD2 3.25Å; T415-F421 WeakPolarHBondContact OG1-CD2 3.37Å; T415-Y468 HydrophobicContact CG2-CD1 4.07Å; T415-Y468 HydrophobicContact CG2-CE1 3.72Å
416	P	96.9	Very high	93.8	Very high	49 Å²	49	57.9 Å²	57.9	32%	0.318	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.7	166	-27.3	37.2	0	0	0	113.5	I535 R536 H537	P416-I535 HydrophobicContact CB-CG2 3.94Å; P416-R536 WeakPolarHBondContact CG-O 3.31Å; P416-H537 HydrophobicContact CB-CB 3.92Å; P416-H537 HydrophobicContact CG-CB 4.06Å
417	D	98.3	Very high	94.4	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	25.2	178.9	-70.3	-79.9	0	0	0	114.1	T415 K419 V420 F421 Y468 F474 I535 H537 R549	T415-D417 PolarHBondContact O-N 3.24Å; T415-D417 PolarHBondContact OG1-N 3.41Å; D417-K419 PolarHBondContact O-N 3.02Å; D417-V420 HydrophobicContact CB-CB 4.26Å; D417-V420 HydrophobicContact CB-CG2 4.39Å; D417-V420 WeakPolarHBondContact O-CA 3.32Å; D417-V420 WeakPolarHBondContact O-CB 3.46Å; D417-V420 PolarHBondContact O-N 3.15Å; D417-F421 HydrophobicContact CB-CD2 4.16Å; D417-F421 HydrophobicContact CB-CE2 4.22Å; D417-F421 PolarHBondContact O-N 3.4Å; D417-Y468 HydrophobicContact CB-CE2 4.38Å; D417-Y468 PolarHBondContact N-OH 3.04Å; D417-Y468 PolarHBondContact OD2-OH 3.35Å; D417-F474 HydrophobicContact CB-CE2 3.65Å; D417-F474 HydrophobicContact CB-CZ 4.22Å; D417-I535 WeakPolarHBondContact OD1-CG2 3.06Å; D417-I535 WeakPolarHBondContact OD2-CG2 3.37Å; D417-H537 IonicContact OD2-CD2 2.85Å; D417-H537 IonicContact OD2-CG 2.94Å; D417-R549 IonicContact OD1-CZ 3.72Å; D417-R549 IonicContact OD1-NH2 3.32Å; D417-R549 PolarHBondContact OD1-NH2 3.37Å; D417-R549 IonicContact OD2-CZ 3.89Å; D417-R549 IonicContact OD2-NH2 3.07Å; D417-R549 PolarHBondContact OD2-NH2 3.29Å
418	D	97.9	Very high	95.1	Very high	26 Å²	26	43 Å²	43	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-48	-37.9	-177.7	172.1	80.1	0	0	0	113.7	F412 P414 T415 K422	F412-D418 WeakPolarHBondContact CZ-OD1 3.47Å; P414-D418 HydrophobicContact CB-CB 4Å; T415-D418 WeakPolarHBondContact O-CB 3.34Å; T415-D418 PolarHBondContact O-N 3.45Å; T415-D418 PolarHBondContact OG1-N 3.35Å; T415-D418 VanDerWaalsContact OG1-N 3.1Å; D418-K422 WeakPolarHBondContact O-CB 3.48Å; D418-K422 WeakPolarHBondContact O-CG 3.42Å; D418-K422 PolarHBondContact O-N 3.3Å; D418-K422 VanDerWaalsContact OD1-CE 3.28Å; D418-K422 WeakPolarHBondContact OD1-CE 3.4Å; D418-K422 IonicContact OD1-NZ 3.88Å; D418-K422 PolarHBondContact OD1-NZ 3.02Å; D418-K422 WeakPolarHBondContact OD2-CE 3.26Å; D418-K422 IonicContact OD2-NZ 3.09Å; D418-K422 PolarHBondContact OD2-NZ 3.38Å
419	K	97.3	Very high	95.8	Very high	157 Å²	157	41.8 Å²	41.8	68%	0.683	21%	0.208	S	C	*	.	H	α-helix	trans	-66.7	-37	177.1	-66.7	-177.6	179.8	178	0	113.1	D417 L423 T552	D417-K419 PolarHBondContact O-N 3.02Å; K419-L423 PolarHBondContact O-N 2.83Å; K419-T552 HydrophobicContact CB-CG2 4Å
420	V	97.9	Very high	96	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-71.1	-47.1	177.6	-179.6	0	0	0	0	109	D417 K422 L423 L424 F474 L550 T552	D417-V420 HydrophobicContact CB-CB 4.26Å; D417-V420 HydrophobicContact CB-CG2 4.39Å; D417-V420 WeakPolarHBondContact O-CA 3.32Å; D417-V420 WeakPolarHBondContact O-CB 3.46Å; D417-V420 PolarHBondContact O-N 3.15Å; V420-K422 PolarHBondContact O-N 3.35Å; V420-L423 WeakPolarHBondContact O-CA 3.39Å; V420-L423 WeakPolarHBondContact O-CB 3.43Å; V420-L423 PolarHBondContact O-N 2.81Å; V420-L424 HydrophobicContact CG1-CD1 3.97Å; V420-L424 HydrophobicContact CG1-CG 4.29Å; V420-L424 WeakPolarHBondContact O-CG 3.49Å; V420-L424 PolarHBondContact O-N 2.91Å; V420-F474 HydrophobicContact CB-CE2 4.47Å; V420-F474 HydrophobicContact CG1-CD2 4.28Å; V420-F474 HydrophobicContact CG1-CE2 4.16Å; V420-L550 HydrophobicContact CG1-CB 3.85Å; V420-T552 HydrophobicContact CG2-CG2 4.12Å
421	F	98.6	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-43	177.2	-82.2	-66.8	0	0	0	113.2	Y398 P399 T415 D417 L423 L424 A425 Y468 F474 E475 V476	Y398-F421 HydrophobicContact CD2-CB 3.77Å; Y398-F421 HydrophobicContact CG-CB 4.08Å; P399-F421 HydrophobicContact CB-CE2 4.35Å; P399-F421 HydrophobicContact CB-CZ 4.28Å; P399-F421 HydrophobicContact CG-CD1 4.16Å; P399-F421 HydrophobicContact CG-CE1 3.68Å; P399-F421 HydrophobicContact CG-CE2 4.25Å; P399-F421 HydrophobicContact CG-CZ 3.72Å; T415-F421 HydrophobicContact CG2-CD2 4.28Å; T415-F421 HydrophobicContact CG2-CE2 4.07Å; T415-F421 VanDerWaalsContact OG1-CD2 3.25Å; T415-F421 WeakPolarHBondContact OG1-CD2 3.37Å; D417-F421 HydrophobicContact CB-CD2 4.16Å; D417-F421 HydrophobicContact CB-CE2 4.22Å; D417-F421 PolarHBondContact O-N 3.4Å; F421-L423 VanDerWaalsContact C-N 3.27Å; F421-L423 PolarHBondContact O-N 2.95Å; F421-L424 PolarHBondContact O-N 3.12Å; F421-A425 VanDerWaalsContact O-CB 3.31Å; F421-A425 WeakPolarHBondContact O-CB 3.49Å; F421-A425 PolarHBondContact O-N 2.82Å; F421-Y468 HydrophobicContact CE2-CD1 4.41Å; F421-Y468 AromaticContact CE2-CD2 3.78Å; F421-Y468 HydrophobicContact CE2-CD2 3.78Å; F421-Y468 HydrophobicContact CE2-CE1 4.33Å; F421-Y468 AromaticContact CE2-CE2 3.66Å; F421-Y468 HydrophobicContact CE2-CE2 3.66Å; F421-Y468 HydrophobicContact CE2-CG 4.15Å; F421-Y468 AromaticContact CE2-CZ 3.96Å; F421-Y468 AromaticContact CZ-CD2 3.61Å; F421-Y468 HydrophobicContact CZ-CD2 3.61Å; F421-Y468 AromaticContact CZ-CE2 3.98Å; F421-Y468 HydrophobicContact CZ-CE2 3.98Å; F421-Y468 AromaticContact CZ-CG 3.92Å; F421-Y468 HydrophobicContact CZ-CG 3.92Å; F421-F474 HydrophobicContact CD1-CD2 4.44Å; F421-F474 HydrophobicContact CD2-CD2 4.33Å; F421-F474 HydrophobicContact CE1-CB 4.02Å; F421-F474 AromaticContact CE1-CD2 3.85Å; F421-F474 HydrophobicContact CE1-CD2 3.85Å; F421-F474 HydrophobicContact CE1-CG 4.32Å; F421-F474 AromaticContact CE2-CD2 3.74Å; F421-F474 HydrophobicContact CE2-CD2 3.74Å; F421-F474 AromaticContact CE2-CE2 3.98Å; F421-F474 HydrophobicContact CE2-CE2 3.98Å; F421-F474 HydrophobicContact CZ-CB 4.16Å; F421-F474 AromaticContact CZ-CD2 3.47Å; F421-F474 HydrophobicContact CZ-CD2 3.47Å; F421-F474 VanDerWaalsContact CZ-CD2 3.47Å; F421-F474 HydrophobicContact CZ-CE2 4.14Å; F421-F474 HydrophobicContact CZ-CG 4.04Å; F421-E475 WeakPolarHBondContact CE1-O 3.07Å; F421-V476 HydrophobicContact CD1-CG1 4.11Å
422	K	96.9	Very high	95.9	Very high	58 Å²	58	37.6 Å²	37.6	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-36.5	173.1	-77.1	171	178.2	161.5	0	112.8	Y398 D418 V420 R426	Y398-K422 HydrophobicContact CE1-CG 4.16Å; Y398-K422 HydrophobicContact CE2-CG 3.99Å; Y398-K422 WeakPolarHBondContact OH-CE 3.42Å; D418-K422 WeakPolarHBondContact O-CB 3.48Å; D418-K422 WeakPolarHBondContact O-CG 3.42Å; D418-K422 PolarHBondContact O-N 3.3Å; D418-K422 VanDerWaalsContact OD1-CE 3.28Å; D418-K422 WeakPolarHBondContact OD1-CE 3.4Å; D418-K422 IonicContact OD1-NZ 3.88Å; D418-K422 PolarHBondContact OD1-NZ 3.02Å; D418-K422 WeakPolarHBondContact OD2-CE 3.26Å; D418-K422 IonicContact OD2-NZ 3.09Å; D418-K422 PolarHBondContact OD2-NZ 3.38Å; V420-K422 PolarHBondContact O-N 3.35Å; K422-R426 VanDerWaalsContact O-CB 3.27Å; K422-R426 WeakPolarHBondContact O-CB 3.2Å; K422-R426 WeakPolarHBondContact O-CG 3.23Å; K422-R426 PolarHBondContact O-N 2.99Å; K422-R426 VanDerWaalsContact O-N 3.11Å
423	L	95.6	Very high	95.3	Very high	48 Å²	48	38.8 Å²	38.8	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-44.5	175.7	176.2	65.5	0	0	0	111.3	K419 V420 F421 T427 T552	K419-L423 PolarHBondContact O-N 2.83Å; V420-L423 WeakPolarHBondContact O-CA 3.39Å; V420-L423 WeakPolarHBondContact O-CB 3.43Å; V420-L423 PolarHBondContact O-N 2.81Å; F421-L423 VanDerWaalsContact C-N 3.27Å; F421-L423 PolarHBondContact O-N 2.95Å; L423-T427 PolarHBondContact O-N 2.82Å; L423-T427 PolarHBondContact O-OG1 3.23Å; L423-T552 HydrophobicContact CB-CG2 4.5Å; L423-T552 HydrophobicContact CD2-CG2 4.15Å
424	L	97.6	Very high	94.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-49.3	178.6	-66.5	171	0	0	0	111.2	L385 V420 F421 R426 T427 Y428 F474 V476 F505 A508 L550	L385-L424 HydrophobicContact CD1-CD1 3.7Å; L385-L424 HydrophobicContact CD1-CD2 3.87Å; L385-L424 HydrophobicContact CD1-CG 4.31Å; L385-L424 HydrophobicContact CD2-CD2 4.22Å; V420-L424 HydrophobicContact CG1-CD1 3.97Å; V420-L424 HydrophobicContact CG1-CG 4.29Å; V420-L424 WeakPolarHBondContact O-CG 3.49Å; V420-L424 PolarHBondContact O-N 2.91Å; F421-L424 PolarHBondContact O-N 3.12Å; L424-R426 VanDerWaalsContact C-N 3.32Å; L424-R426 PolarHBondContact O-N 3.21Å; L424-T427 WeakPolarHBondContact O-CB 3.43Å; L424-T427 PolarHBondContact O-N 3.31Å; L424-Y428 PolarHBondContact O-N 3.14Å; L424-F474 HydrophobicContact CD1-CB 4.2Å; L424-F474 HydrophobicContact CD1-CD2 4.32Å; L424-V476 HydrophobicContact CB-CG1 4.42Å; L424-F505 HydrophobicContact CB-CE2 4.28Å; L424-A508 HydrophobicContact CD2-CB 3.93Å; L424-L550 HydrophobicContact CD1-CD1 4.06Å; L424-L550 HydrophobicContact CD2-CD1 4.49Å
425	A	97.4	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-41.3	178.5	0	0	0	0	0	112.2	V396 Y398 F421 T427 Y428 A429 V450	V396-A425 HydrophobicContact CB-CB 4.07Å; V396-A425 HydrophobicContact CG1-CB 3.64Å; Y398-A425 HydrophobicContact CD1-CB 4.11Å; F421-A425 VanDerWaalsContact O-CB 3.31Å; F421-A425 WeakPolarHBondContact O-CB 3.49Å; F421-A425 PolarHBondContact O-N 2.82Å; A425-T427 VanDerWaalsContact C-N 3.34Å; A425-T427 PolarHBondContact O-N 3.07Å; A425-Y428 PolarHBondContact O-N 3.33Å; A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 3.39Å; A425-V450 HydrophobicContact CB-CB 4.44Å; A425-V450 HydrophobicContact CB-CG1 3.56Å; A425-V450 HydrophobicContact CB-CG2 4.01Å
426	R	95.1	Very high	90.6	Very high	96 Å²	96	48.3 Å²	48.3	36%	0.362	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-33	173.4	-77.3	178.4	-177.7	174.5	1	113.4	K422 L424 Y428 A429 D430 V450	K422-R426 VanDerWaalsContact O-CB 3.27Å; K422-R426 WeakPolarHBondContact O-CB 3.2Å; K422-R426 WeakPolarHBondContact O-CG 3.23Å; K422-R426 PolarHBondContact O-N 2.99Å; K422-R426 VanDerWaalsContact O-N 3.11Å; L424-R426 VanDerWaalsContact C-N 3.32Å; L424-R426 PolarHBondContact O-N 3.21Å; R426-Y428 PolarHBondContact O-N 2.97Å; R426-A429 PolarHBondContact O-N 3.35Å; R426-D430 WeakPolarHBondContact O-CB 3.45Å; R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 2.89Å; R426-V450 HydrophobicContact CG-CG2 4.01Å
427	T	95.6	Very high	88.5	Confident	18 Å²	18	48 Å²	48	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-40	178.4	-59	0	0	0	0	110.8	L423 L424 A425 S431 A504 A508	L423-T427 PolarHBondContact O-N 2.82Å; L423-T427 PolarHBondContact O-OG1 3.23Å; L424-T427 WeakPolarHBondContact O-CB 3.43Å; L424-T427 PolarHBondContact O-N 3.31Å; A425-T427 VanDerWaalsContact C-N 3.34Å; A425-T427 PolarHBondContact O-N 3.07Å; T427-S431 WeakPolarHBondContact O-CB 3.26Å; T427-S431 PolarHBondContact O-OG 3.03Å; T427-A504 HydrophobicContact CG2-CB 4.22Å; T427-A504 WeakPolarHBondContact CG2-O 3.46Å; T427-A508 HydrophobicContact CG2-CB 4.2Å
428	Y	96.8	Very high	86.6	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-73.8	-53.6	173	-165.9	-75	0	0	0	111.6	F389 V396 L424 A425 R426 D430 S431 N432 V478 L480 N498 A501 L502 F505	F389-Y428 AromaticContact CE1-CE2 3.75Å; F389-Y428 HydrophobicContact CE1-CE2 3.75Å; F389-Y428 AromaticContact CE1-CZ 3.9Å; F389-Y428 HydrophobicContact CZ-CE2 4.2Å; V396-Y428 HydrophobicContact CG2-CD1 3.89Å; V396-Y428 HydrophobicContact CG2-CG 4.33Å; L424-Y428 PolarHBondContact O-N 3.14Å; A425-Y428 PolarHBondContact O-N 3.33Å; R426-Y428 PolarHBondContact O-N 2.97Å; Y428-D430 PolarHBondContact O-N 3.23Å; Y428-S431 PolarHBondContact O-N 3.03Å; Y428-N432 PolarHBondContact O-N 3.23Å; Y428-N432 VanDerWaalsContact O-N 3.14Å; Y428-V478 HydrophobicContact CD1-CG1 3.84Å; Y428-V478 HydrophobicContact CD1-CG2 4.28Å; Y428-V478 HydrophobicContact CD2-CG2 4.14Å; Y428-V478 HydrophobicContact CE1-CG1 3.35Å; Y428-V478 HydrophobicContact CE1-CG2 4.43Å; Y428-V478 HydrophobicContact CE2-CG1 4.25Å; Y428-V478 HydrophobicContact CE2-CG2 4.27Å; Y428-V478 HydrophobicContact CG-CG1 4.49Å; Y428-V478 HydrophobicContact CG-CG2 4.16Å; Y428-L480 WeakPolarHBondContact OH-CD2 3.45Å; Y428-N498 PolarHBondContact OH-OD1 2.75Å; Y428-A501 HydrophobicContact CD1-CB 3.98Å; Y428-A501 HydrophobicContact CD2-CB 4.04Å; Y428-A501 HydrophobicContact CE1-CB 3.85Å; Y428-A501 HydrophobicContact CE2-CB 3.94Å; Y428-A501 HydrophobicContact CG-CB 4.05Å; Y428-A501 WeakPolarHBondContact O-CB 3.4Å; Y428-L502 HydrophobicContact CE2-CD2 4.08Å; Y428-L502 HydrophobicContact CE2-CG 4.32Å; Y428-F505 HydrophobicContact CD2-CB 3.96Å; Y428-F505 HydrophobicContact CD2-CD2 4.4Å; Y428-F505 HydrophobicContact CD2-CG 4.22Å
429	A	94.3	Very high	85.1	Confident	23 Å²	23	53.9 Å²	53.9	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-40.8	-173.2	0	0	0	0	0	113.9	V396 A425 R426 S431 N432 V450	V396-A429 HydrophobicContact CG2-CB 3.98Å; A425-A429 WeakPolarHBondContact O-CB 3.33Å; A425-A429 PolarHBondContact O-N 3.39Å; R426-A429 PolarHBondContact O-N 3.35Å; A429-S431 VanDerWaalsContact C-N 3.27Å; A429-S431 PolarHBondContact O-N 3.36Å; A429-N432 PolarHBondContact O-N 3.11Å; A429-V450 HydrophobicContact CB-CG2 3.64Å
430	D	93	Very high	83.4	Confident	108 Å²	108	49.3 Å²	49.3	58%	0.578	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.5	-179.6	-65.7	-24.6	0	0	0	112.2	R426 Y428	R426-D430 WeakPolarHBondContact O-CB 3.45Å; R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 2.89Å; Y428-D430 PolarHBondContact O-N 3.23Å
431	S	93.7	Very high	81.3	Confident	33 Å²	33	53.9 Å²	53.9	23%	0.231	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-10.6	179.6	-54.1	0	0	0	0	113	T427 Y428 A429	T427-S431 WeakPolarHBondContact O-CB 3.26Å; T427-S431 PolarHBondContact O-OG 3.03Å; Y428-S431 PolarHBondContact O-N 3.03Å; A429-S431 VanDerWaalsContact C-N 3.27Å; A429-S431 PolarHBondContact O-N 3.36Å
432	N	89.4	Confident	79.3	Confident	28 Å²	28	58.1 Å²	58.1	15%	0.15	36%	0.362	C	S	.	.			trans	-78	125.1	175.5	-173.6	-67.4	0	0	0	109.7	R394 Y428 A429 A434 D497 N498 A501	R394-N432 PolarHBondContact NH2-OD1 3.4Å; Y428-N432 PolarHBondContact O-N 3.23Å; Y428-N432 VanDerWaalsContact O-N 3.14Å; A429-N432 PolarHBondContact O-N 3.11Å; N432-A434 PolarHBondContact OD1-N 3.38Å; N432-D497 WeakPolarHBondContact CA-O 3.45Å; N432-D497 VanDerWaalsContact CG-O 3.32Å; N432-D497 PolarHBondContact ND2-O 3.19Å; N432-N498 VanDerWaalsContact ND2-CG 3.34Å; N432-N498 PolarHBondContact ND2-OD1 3.07Å; N432-A501 HydrophobicContact CB-CB 4.29Å
433	T	81.9	Confident	77.6	Confident	95 Å²	95	58.6 Å²	58.6	58%	0.583	37%	0.365	S	S	*	.			trans	-89.3	-10.6	-172.3	55.7	0	0	0	0	114.6	T435 D497	T433-T435 PolarHBondContact O-N 2.98Å; T433-D497 PolarHBondContact N-O 3.09Å; T433-D497 WeakPolarHBondContact OG1-CA 3.25Å; T433-D497 PolarHBondContact OG1-OD1 2.83Å
434	A	76.4	Confident	75.6	Confident	20 Å²	20	63.7 Å²	63.7	17%	0.165	39%	0.393	C	S	.	.	S	Bend	trans	-66	135.2	-173.6	0	0	0	0	0	111	R394 N432 S436 D497	R394-A434 VanDerWaalsContact NH2-C 3.33Å; R394-A434 VanDerWaalsContact NH2-CA 3.34Å; R394-A434 PolarHBondContact NH2-O 2.79Å; N432-A434 PolarHBondContact OD1-N 3.38Å; A434-S436 PolarHBondContact O-N 2.82Å; A434-D497 WeakPolarHBondContact CA-OD1 3.35Å; A434-D497 HydrophobicContact CB-CB 3.76Å; A434-D497 WeakPolarHBondContact CB-OD2 3.34Å; A434-D497 PolarHBondContact N-OD1 2.94Å
435	T	58.6	Low	73.8	Confident	131 Å²	131	65.1 Å²	65.1	80%	0.804	41%	0.407	S	S	*	.			trans	-52.7	135.9	178.1	-31.1	0	0	0	0	109.7	T433 G437	T433-T435 PolarHBondContact O-N 2.98Å; T435-G437 VanDerWaalsContact C-N 3.28Å; T435-G437 PolarHBondContact O-N 2.82Å
436	S	53.4	Low	72.1	Confident	111 Å²	111	67 Å²	67	78%	0.776	42%	0.421	S	S	*	.			trans	-64.3	82.1	-177.7	48.6	0	0	0	0	112	A434	A434-S436 PolarHBondContact O-N 2.82Å
437	G	52.7	Low	70.8	Confident	43 Å²	43	68.5 Å²	68.5	44%	0.443	43%	0.432	S	S	.	.			trans	-87	104.2	158	0	0	0	0	0	107.8	T435	T435-G437 VanDerWaalsContact C-N 3.28Å; T435-G437 PolarHBondContact O-N 2.82Å
438	E	57.9	Low	69.8	Low	124 Å²	124	75.8 Å²	75.8	58%	0.579	46%	0.462	S	S	*	.			trans	-67.2	133.3	171.3	-66.8	-176.5	156.3	0	0	108.8	G440 P442	E438-G440 PolarHBondContact O-N 3.22Å; E438-P442 WeakPolarHBondContact OE2-CB 3.48Å; E438-P442 VanDerWaalsContact OE2-CD 3.24Å; E438-P442 WeakPolarHBondContact OE2-CD 3.37Å; E438-P442 WeakPolarHBondContact OE2-CG 3.35Å
439	C	66.3	Low	69.3	Low	28 Å²	28	76.9 Å²	76.9	19%	0.189	47%	0.474	C	S	.	.	S	Bend	trans	-71.2	83.6	171.6	-56.6	0	0	0	0	108.8	D393 R394 C482	D393-C439 VanDerWaalsContact CA-SG 3.59Å; R394-C439 PolarHBondContact N-SG 3.35Å; C439-C482 WeakPolarHBondContact CA-SG 3.48Å; C439-C482 HydrophobicContact CB-CB 3.79Å; C439-C482 WeakPolarHBondContact CB-SG 3.32Å; C439-C482 WeakPolarHBondContact SG-CA 3.3Å; C439-C482 WeakPolarHBondContact SG-CB 3.32Å; C439-C482 PolarHBondContact SG-N 3.48Å; C439-C482 CovalentContact SG-SG 2.02Å; C439-C482 PolarHBondContact SG-SG 2.98Å
440	G	61.8	Low	69.1	Low	61 Å²	61	76.1 Å²	76.1	63%	0.629	47%	0.467	S	S	*	.	S	Bend	trans	81.3	-142.2	-176.8	0	0	0	0	0	113.4	E438	E438-G440 PolarHBondContact O-N 3.22Å
441	S	54.1	Low	69.2	Low	101 Å²	101	71.1 Å²	71.1	71%	0.706	44%	0.44	S	S	*	.	S	Bend	trans	-79.1	142.3	-175.7	-58.9	0	0	0	0	111.1	H443	S441-H443 PolarHBondContact O-N 3.49Å
442	P	56.5	Low	69.3	Low	90 Å²	90	69.5 Å²	69.5	58%	0.584	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-55.5	125.2	179.2	6.7	-14.8	0	0	0	111.1	E438 D444	E438-P442 WeakPolarHBondContact OE2-CB 3.48Å; E438-P442 VanDerWaalsContact OE2-CD 3.24Å; E438-P442 WeakPolarHBondContact OE2-CD 3.37Å; E438-P442 WeakPolarHBondContact OE2-CG 3.35Å; P442-D444 PolarHBondContact O-N 2.85Å
443	H	61.2	Low	69.5	Low	67 Å²	67	68.2 Å²	68.2	31%	0.31	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-66.3	128.9	177.1	-67.2	-75.9	0	0	0	110.5	D393 M395 S441 G445 S446 I451 W456	D393-H443 IonicContact OD2-CD2 2.82Å; D393-H443 IonicContact OD2-CE1 3.97Å; D393-H443 IonicContact OD2-NE2 3.42Å; D393-H443 PolarHBondContact OD2-NE2 3.42Å; D393-H443 VanDerWaalsContact OD2-NE2 3.08Å; M395-H443 VanDerWaalsContact CE-CD2 3.41Å; M395-H443 WeakPolarHBondContact CE-CD2 3.44Å; S441-H443 PolarHBondContact O-N 3.49Å; H443-G445 PolarHBondContact O-N 3.16Å; H443-S446 WeakPolarHBondContact O-CB 3.46Å; H443-S446 PolarHBondContact O-N 2.88Å; H443-I451 HydrophobicContact CB-CD1 4.09Å; H443-W456 AromaticContact CE1-CD1 3.96Å; H443-W456 AromaticContact CE1-NE1 3.69Å; H443-W456 AromaticContact ND1-CD1 3.82Å; H443-W456 AromaticContact NE2-NE1 3.74Å
444	D	54.9	Low	70.2	Confident	156 Å²	156	63.7 Å²	63.7	83%	0.834	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	108.8	-178.8	-169.7	13	0	0	0	111.1	P442 Q455	P442-D444 PolarHBondContact O-N 2.85Å; D444-Q455 PolarHBondContact O-NE2 2.85Å; D444-Q455 VanDerWaalsContact O-NE2 3.14Å
445	G	58.6	Low	70.9	Confident	31 Å²	31	65.3 Å²	65.3	32%	0.32	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	9.2	-178.9	0	0	0	0	0	116.8	H443 Q447	H443-G445 PolarHBondContact O-N 3.16Å; G445-Q447 PolarHBondContact O-N 2.83Å
446	S	63	Low	72.4	Confident	41 Å²	41	62.9 Å²	62.9	29%	0.287	38%	0.375	S	S	.	.			trans	-60.5	126.2	157.3	176.3	0	0	0	0	109	H443	H443-S446 WeakPolarHBondContact O-CB 3.46Å; H443-S446 PolarHBondContact O-N 2.88Å
447	Q	67.5	Low	74.1	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-121.7	107.5	176.3	-69.7	-170	-7.8	0	0	109.4	G445 V450	G445-Q447 PolarHBondContact O-N 2.83Å; Q447-V450 PolarHBondContact N-O 3.09Å; Q447-V450 PolarHBondContact O-N 3.37Å
448	K	74.5	Confident	76	Confident	170 Å²	170	58.4 Å²	58.4	74%	0.739	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	48.6	177.7	-55.6	-176.8	173.1	-167.2	0	113	V450	K448-V450 VanDerWaalsContact C-N 3.28Å; K448-V450 PolarHBondContact O-N 2.84Å
449	G	84.8	Confident	77.6	Confident	26 Å²	26	53.8 Å²	53.8	27%	0.268	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	15.2	177.3	0	0	0	0	0	114.9	M395 V396	M395-G449 CarbonylContact C-O 3.22Å; M395-G449 VanDerWaalsContact CA-O 3.3Å; M395-G449 WeakPolarHBondContact CA-O 3.31Å; V396-G449 PolarHBondContact N-O 3.34Å
450	V	91.9	Very high	79	Confident	8 Å²	8	55 Å²	55	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.2	-179.1	173.2	0	0	0	0	110	V396 Y398 A425 R426 A429 Q447 K448	V396-V450 HydrophobicContact CB-CG2 4.44Å; V396-V450 WeakPolarHBondContact O-CA 3.4Å; Y398-V450 HydrophobicContact CD1-CG1 3.63Å; Y398-V450 HydrophobicContact CE1-CG1 3.42Å; Y398-V450 VanDerWaalsContact CE1-CG1 3.42Å; A425-V450 HydrophobicContact CB-CB 4.44Å; A425-V450 HydrophobicContact CB-CG1 3.56Å; A425-V450 HydrophobicContact CB-CG2 4.01Å; R426-V450 HydrophobicContact CG-CG2 4.01Å; A429-V450 HydrophobicContact CB-CG2 3.64Å; Q447-V450 PolarHBondContact N-O 3.09Å; Q447-V450 PolarHBondContact O-N 3.37Å; K448-V450 VanDerWaalsContact C-N 3.28Å; K448-V450 PolarHBondContact O-N 2.84Å
451	I	93.2	Very high	80.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.1	-177.4	-163	158.8	0	0	0	112.1	M395 V396 S397 Y398 H443 Q455 W456	M395-I451 HydrophobicContact CG-CG2 4.32Å; M395-I451 HydrophobicContact SD-CB 4.44Å; M395-I451 HydrophobicContact SD-CG2 3.42Å; M395-I451 WeakPolarHBondContact SD-CG2 3.45Å; V396-I451 PolarHBondContact O-N 3.46Å; V396-I451 VanDerWaalsContact O-N 3.07Å; S397-I451 VanDerWaalsContact CA-O 3.27Å; S397-I451 WeakPolarHBondContact CA-O 3.45Å; Y398-I451 WeakPolarHBondContact CD1-O 3.3Å; Y398-I451 WeakPolarHBondContact CE1-O 3.36Å; Y398-I451 PolarHBondContact N-O 3.17Å; H443-I451 HydrophobicContact CB-CD1 4.09Å; I451-Q455 HydrophobicContact CG1-CB 4.5Å; I451-W456 HydrophobicContact CD1-CB 3.75Å; I451-W456 HydrophobicContact CD1-CG 4.35Å; I451-W456 HydrophobicContact CG1-CB 4.05Å; I451-W456 HydrophobicContact CG2-CB 3.87Å; I451-W456 HydrophobicContact CG2-CG 4.23Å
452	N	96.1	Very high	82.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.6	169.2	166.4	-116.5	0	0	0	109.4	Y398 P399 Y400 F412 S413 A454 Q455 W456	Y398-N452 HydrophobicContact CE1-CB 4.47Å; Y398-N452 HydrophobicContact CE2-CB 3.99Å; Y398-N452 PolarHBondContact O-ND2 3.12Å; P399-N452 VanDerWaalsContact C-ND2 3.28Å; P399-N452 PolarHBondContact O-ND2 2.82Å; P399-N452 VanDerWaalsContact O-ND2 3.1Å; Y400-N452 PolarHBondContact N-ND2 3.32Å; Y400-N452 PolarHBondContact O-ND2 2.02Å; F412-N452 HydrophobicContact CD2-CB 3.66Å; F412-N452 HydrophobicContact CE2-CB 3.81Å; S413-N452 PolarHBondContact N-OD1 2.98Å; S413-N452 PolarHBondContact O-ND2 2.86Å; N452-A454 PolarHBondContact O-N 3.44Å; N452-Q455 HydrophobicContact CB-CB 4.13Å; N452-Q455 WeakPolarHBondContact O-CA 3.05Å; N452-Q455 WeakPolarHBondContact O-CB 3.27Å; N452-Q455 PolarHBondContact O-N 3.45Å; N452-Q455 PolarHBondContact OD1-N 2.82Å; N452-W456 PolarHBondContact O-N 2.68Å; N452-W456 VanDerWaalsContact O-N 3.07Å
453	G	94.9	Very high	84.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-55.1	-48.6	-174.3	0	0	0	0	0	113.8	S397 Y398 D401 Q455 W456 G457	S397-G453 WeakPolarHBondContact OG-CA 3.47Å; S397-G453 PolarHBondContact OG-N 2.89Å; Y398-G453 PolarHBondContact O-N 2.83Å; D401-G453 WeakPolarHBondContact OD1-CA 3.28Å; G453-Q455 PolarHBondContact O-N 3.26Å; G453-W456 PolarHBondContact O-N 3.29Å; G453-W456 VanDerWaalsContact O-N 3.08Å; G453-G457 CarbonylContact O-C 3.54Å; G453-G457 PolarHBondContact O-N 2.96Å
454	A	95.3	Very high	86.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-23.8	177.4	0	0	0	0	0	114.8	Y400 D401 N410 M411 N452	Y400-A454 VanDerWaalsContact O-CB 3.26Å; Y400-A454 WeakPolarHBondContact O-CB 3.44Å; Y400-A454 PolarHBondContact O-N 3.37Å; D401-A454 WeakPolarHBondContact O-CA 3.09Å; D401-A454 WeakPolarHBondContact O-CB 3.35Å; D401-A454 PolarHBondContact O-N 3.18Å; N410-A454 CarbonylContact C-O 3.59Å; N410-A454 VanDerWaalsContact CA-O 3.25Å; N410-A454 WeakPolarHBondContact CA-O 3.19Å; M411-A454 PolarHBondContact N-O 2.83Å; M411-A454 CarbonylContact O-C 3.37Å; M411-A454 WeakPolarHBondContact O-CB 3.47Å; N452-A454 PolarHBondContact O-N 3.44Å
455	Q	92.6	Very high	88.5	Confident	53 Å²	53	33.2 Å²	33.2	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-79.7	-34.6	174.8	-178	173.9	-2.9	0	0	111.7	D444 I451 N452 G453	D444-Q455 PolarHBondContact O-NE2 2.85Å; D444-Q455 VanDerWaalsContact O-NE2 3.14Å; I451-Q455 HydrophobicContact CG1-CB 4.5Å; N452-Q455 HydrophobicContact CB-CB 4.13Å; N452-Q455 WeakPolarHBondContact O-CA 3.05Å; N452-Q455 WeakPolarHBondContact O-CB 3.27Å; N452-Q455 PolarHBondContact O-N 3.45Å; N452-Q455 PolarHBondContact OD1-N 2.82Å; G453-Q455 PolarHBondContact O-N 3.26Å
456	W	88.9	Confident	90.4	Very high	81 Å²	81	31.8 Å²	31.8	31%	0.307	18%	0.175	S	C	.	.	H	α-helix	trans	-73.7	-59.3	176.4	178.8	43.1	0	0	0	111.4	D393 M395 N410 H443 I451 N452 G453	D393-W456 HydrophobicContact CB-CH2 4.26Å; D393-W456 HydrophobicContact CB-CZ2 3.66Å; D393-W456 VanDerWaalsContact OD2-CZ2 3.22Å; D393-W456 WeakPolarHBondContact OD2-CZ2 3.41Å; D393-W456 PolarHBondContact OD2-NE1 3.37Å; M395-W456 HydrophobicContact SD-CD2 3.81Å; M395-W456 HydrophobicContact SD-CE3 4.33Å; M395-W456 HydrophobicContact SD-CG 4.04Å; M395-W456 HydrophobicContact SD-CZ2 4.18Å; N410-W456 PolarHBondContact ND2-O 2.79Å; H443-W456 AromaticContact CE1-CD1 3.96Å; H443-W456 AromaticContact CE1-NE1 3.69Å; H443-W456 AromaticContact ND1-CD1 3.82Å; H443-W456 AromaticContact NE2-NE1 3.74Å; I451-W456 HydrophobicContact CD1-CB 3.75Å; I451-W456 HydrophobicContact CD1-CG 4.35Å; I451-W456 HydrophobicContact CG1-CB 4.05Å; I451-W456 HydrophobicContact CG2-CB 3.87Å; I451-W456 HydrophobicContact CG2-CG 4.23Å; N452-W456 PolarHBondContact O-N 2.68Å; N452-W456 VanDerWaalsContact O-N 3.07Å; G453-W456 PolarHBondContact O-N 3.29Å; G453-W456 VanDerWaalsContact O-N 3.08Å
457	G	88.6	Confident	92.1	Very high	26 Å²	26	29.9 Å²	29.9	27%	0.268	16%	0.161	S	C	.	.			trans	-158.4	111.2	-179.2	0	0	0	0	0	109.8	G453 I459	G453-G457 CarbonylContact O-C 3.54Å; G453-G457 PolarHBondContact O-N 2.96Å; G457-I459 PolarHBondContact O-N 2.97Å
458	S	92.5	Very high	93.6	Very high	33 Å²	33	23.8 Å²	23.8	23%	0.231	13%	0.133	C	C	.	.			trans	-66.3	120.5	-177.8	179.4	0	0	0	0	111.6	D401 S403 N410	D401-S458 WeakPolarHBondContact O-CA 3.18Å; S403-S458 WeakPolarHBondContact CB-OG 3.31Å; S403-S458 PolarHBondContact N-OG 2.77Å; N410-S458 PolarHBondContact OD1-N 2.92Å
459	I	93.2	Very high	94.7	Very high	28 Å²	28	15.7 Å²	15.7	14%	0.144	10%	0.098	C	C	.	.			trans	-131.1	145.3	176.7	66.8	165.9	0	0	0	110.2	R333 D401 L402 G457	R333-I459 VanDerWaalsContact NH1-CD1 3.27Å; D401-I459 CarbonylContact C-O 3.3Å; D401-I459 HydrophobicContact CB-CD1 4.17Å; D401-I459 HydrophobicContact CB-CG1 3.59Å; D401-I459 PolarHBondContact O-N 3.31Å; D401-I459 VanDerWaalsContact O-N 3.08Å; L402-I459 WeakPolarHBondContact CA-O 3.2Å; L402-I459 WeakPolarHBondContact CB-O 3.32Å; L402-I459 PolarHBondContact N-O 2.77Å; G457-I459 PolarHBondContact O-N 2.97Å
460	S	94	Very high	95.3	Very high	54 Å²	54	14.5 Å²	14.5	38%	0.378	9%	0.085	S	C	.	.	S	Bend	trans	-110.9	154.1	170.4	55.5	0	0	0	0	110	R333 G462	R333-S460 WeakPolarHBondContact CD-O 3.44Å; S460-G462 VanDerWaalsContact C-N 3.33Å; S460-G462 PolarHBondContact O-N 3.02Å
461	G	95.2	Very high	95.6	Very high	7 Å²	7	14.6 Å²	14.6	7%	0.072	9%	0.086	C	C	.	.	S	Bend	trans	69.5	28.4	178.2	0	0	0	0	0	114.4	N332 R333 N334 F335	N332-G461 CarbonylContact C-O 3.52Å; R333-G461 CarbonylContact C-O 3.58Å; R333-G461 VanDerWaalsContact CA-O 3.32Å; R333-G461 WeakPolarHBondContact CA-O 3.45Å; N334-G461 PolarHBondContact N-O 2.82Å; F335-G461 WeakPolarHBondContact CB-O 3.48Å; F335-G461 PolarHBondContact N-O 2.85Å; F335-G461 WeakPolarHBondContact O-CA 3.38Å
462	G	97.5	Very high	95.8	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	9%	0.092	C	C	.	.			trans	-80	152.3	173.2	0	0	0	0	0	112.8	N332 S460 Q464 F466	N332-G462 WeakPolarHBondContact O-CA 3.41Å; N332-G462 WeakPolarHBondContact OD1-CA 3.12Å; S460-G462 VanDerWaalsContact C-N 3.33Å; S460-G462 PolarHBondContact O-N 3.02Å; G462-Q464 VanDerWaalsContact C-N 3.32Å; G462-Q464 PolarHBondContact O-N 3.14Å; G462-F466 PolarHBondContact O-N 3.41Å
463	M	98.7	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.9	-37.3	179.4	-172.9	171.1	65.4	0	0	112.1	V244 M247 M291 N332 F335 V374 S388 F466 N467 E475	V244-M463 HydrophobicContact CB-CE 4.09Å; V244-M463 HydrophobicContact CG1-CE 3.97Å; V244-M463 HydrophobicContact CG2-CE 4.44Å; M247-M463 HydrophobicContact CE-CB 4.08Å; M247-M463 HydrophobicContact CE-CE 4.28Å; M247-M463 HydrophobicContact CE-SD 4.41Å; M247-M463 HydrophobicContact SD-CE 4.15Å; M291-M463 HydrophobicContact SD-SD 4Å; N332-M463 PolarHBondContact OD1-N 2.62Å; F335-M463 HydrophobicContact CD2-CB 3.83Å; F335-M463 HydrophobicContact CD2-CG 4.42Å; F335-M463 HydrophobicContact CE1-CB 4.36Å; F335-M463 HydrophobicContact CE1-CG 3.92Å; F335-M463 HydrophobicContact CE2-CB 3.49Å; F335-M463 VanDerWaalsContact CE2-CB 3.49Å; F335-M463 HydrophobicContact CE2-CG 3.77Å; F335-M463 HydrophobicContact CE2-SD 4.18Å; F335-M463 HydrophobicContact CG-CB 4.41Å; F335-M463 HydrophobicContact CZ-CB 3.78Å; F335-M463 HydrophobicContact CZ-CG 3.47Å; F335-M463 VanDerWaalsContact CZ-CG 3.47Å; F335-M463 HydrophobicContact CZ-SD 3.76Å; V374-M463 HydrophobicContact CG1-SD 3.79Å; S388-M463 VanDerWaalsContact CB-CE 3.45Å; M463-F466 WeakPolarHBondContact O-CB 3.02Å; M463-F466 PolarHBondContact O-N 3.48Å; M463-N467 PolarHBondContact O-N 3.22Å; M463-N467 PolarHBondContact O-ND2 3.44Å; M463-E475 WeakPolarHBondContact CE-OE1 3.3Å; M463-E475 WeakPolarHBondContact CG-OE1 3.42Å
464	Q	98.6	Very high	96.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-52.2	-177.2	162.4	176.7	-77.9	0	0	112	S397 P399 D401 G462 F466 N467 Y468 E475 V476 T477	S397-Q464 PolarHBondContact O-OE1 2.89Å; P399-Q464 VanDerWaalsContact CD-CD 3.48Å; P399-Q464 HydrophobicContact CG-CG 3.54Å; D401-Q464 PolarHBondContact OD1-NE2 2.93Å; D401-Q464 WeakPolarHBondContact OD2-CB 3.39Å; D401-Q464 PolarHBondContact OD2-NE2 3.44Å; G462-Q464 VanDerWaalsContact C-N 3.32Å; G462-Q464 PolarHBondContact O-N 3.14Å; Q464-F466 VanDerWaalsContact C-N 3.31Å; Q464-F466 PolarHBondContact O-N 3.07Å; Q464-N467 PolarHBondContact O-N 2.89Å; Q464-Y468 PolarHBondContact O-N 3.42Å; Q464-E475 WeakPolarHBondContact CA-OE1 3.43Å; Q464-E475 HydrophobicContact CB-CG 4.47Å; Q464-E475 PolarHBondContact N-OE1 2.67Å; Q464-V476 VanDerWaalsContact OE1-C 3.23Å; Q464-V476 VanDerWaalsContact OE1-CA 3.31Å; Q464-T477 PolarHBondContact OE1-OG1 2.92Å
465	D	98.6	Very high	96.3	Very high	8 Å²	8	15.9 Å²	15.9	4%	0.043	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-35.3	176.9	-83.7	8.7	0	0	0	111.7	T339 Y400 D401 L402 Y468 L469	T339-D465 PolarHBondContact OG1-OD2 3.4Å; Y400-D465 VanDerWaalsContact CA-OD1 3.31Å; Y400-D465 WeakPolarHBondContact CA-OD1 3.12Å; D401-D465 PolarHBondContact N-OD1 3.26Å; D401-D465 PolarHBondContact N-OD2 2.78Å; D401-D465 VanDerWaalsContact N-OD2 3.14Å; L402-D465 PolarHBondContact N-OD2 3.29Å; D465-Y468 PolarHBondContact O-N 3.35Å; D465-L469 WeakPolarHBondContact O-CB 3.09Å; D465-L469 VanDerWaalsContact O-CG 3.31Å; D465-L469 WeakPolarHBondContact O-CG 3.29Å; D465-L469 PolarHBondContact O-N 2.94Å
466	F	98.6	Very high	96.6	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-44.6	177.9	175.9	-97.2	0	0	0	112.5	F335 P336 L338 I358 M375 I378 G462 M463 Q464 Y468 L469 H470	F335-F466 HydrophobicContact CB-CB 3.99Å; F335-F466 HydrophobicContact CB-CG 4.3Å; F335-F466 HydrophobicContact CD1-CB 3.91Å; F335-F466 AromaticContact CD1-CD1 3.57Å; F335-F466 HydrophobicContact CD1-CD1 3.57Å; F335-F466 HydrophobicContact CD1-CD2 4.33Å; F335-F466 HydrophobicContact CD1-CE1 4.16Å; F335-F466 AromaticContact CD1-CG 3.67Å; F335-F466 HydrophobicContact CD1-CG 3.67Å; F335-F466 AromaticContact CE1-CD1 3.97Å; F335-F466 HydrophobicContact CE1-CD1 3.97Å; F335-F466 HydrophobicContact CE1-CE1 4.39Å; F335-F466 HydrophobicContact CE1-CG 4.49Å; F335-F466 HydrophobicContact CG-CB 4.22Å; F335-F466 HydrophobicContact CG-CG 4.38Å; P336-F466 HydrophobicContact CB-CD2 4.34Å; P336-F466 HydrophobicContact CB-CE2 4.47Å; P336-F466 HydrophobicContact CG-CD2 4.02Å; P336-F466 HydrophobicContact CG-CE2 3.83Å; L338-F466 HydrophobicContact CD1-CD2 3.92Å; L338-F466 HydrophobicContact CD1-CE2 4.29Å; I358-F466 HydrophobicContact CD1-CE2 4.27Å; I358-F466 HydrophobicContact CD1-CZ 4.38Å; I358-F466 HydrophobicContact CG1-CE2 4.25Å; M375-F466 HydrophobicContact CB-CE1 4.16Å; M375-F466 HydrophobicContact CB-CZ 4.11Å; M375-F466 HydrophobicContact CG-CD1 4.4Å; M375-F466 HydrophobicContact CG-CE1 3.68Å; M375-F466 HydrophobicContact CG-CE2 4.39Å; M375-F466 HydrophobicContact CG-CZ 3.66Å; M375-F466 HydrophobicContact SD-CE2 4.18Å; M375-F466 HydrophobicContact SD-CZ 3.96Å; I378-F466 HydrophobicContact CD1-CD1 3.9Å; I378-F466 HydrophobicContact CD1-CE1 3.9Å; I378-F466 HydrophobicContact CG2-CE1 4.33Å; G462-F466 PolarHBondContact O-N 3.41Å; M463-F466 WeakPolarHBondContact O-CB 3.02Å; M463-F466 PolarHBondContact O-N 3.48Å; Q464-F466 VanDerWaalsContact C-N 3.31Å; Q464-F466 PolarHBondContact O-N 3.07Å; F466-Y468 VanDerWaalsContact C-N 3.33Å; F466-Y468 PolarHBondContact O-N 2.98Å; F466-L469 PolarHBondContact O-N 2.89Å; F466-H470 HydrophobicContact CD2-CB 3.98Å; F466-H470 HydrophobicContact CE1-CB 4.27Å; F466-H470 HydrophobicContact CE2-CB 3.66Å; F466-H470 AromaticContact CE2-CD2 3.82Å; F466-H470 AromaticContact CE2-CG 3.65Å; F466-H470 HydrophobicContact CG-CB 4.42Å; F466-H470 HydrophobicContact CZ-CB 3.83Å; F466-H470 AromaticContact CZ-CD2 3.36Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.24Å; F466-H470 AromaticContact CZ-CG 3.66Å; F466-H470 WeakPolarHBondContact O-CB 3.31Å; F466-H470 PolarHBondContact O-N 2.93Å
467	N	98.8	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-53.2	-52.6	176.3	-86.6	-90.5	0	0	0	111	K242 M463 Q464 S471 C473 E475	K242-N467 WeakPolarHBondContact CE-OD1 3.43Å; K242-N467 PolarHBondContact NZ-OD1 2.85Å; M463-N467 PolarHBondContact O-N 3.22Å; M463-N467 PolarHBondContact O-ND2 3.44Å; Q464-N467 PolarHBondContact O-N 2.89Å; N467-S471 PolarHBondContact O-N 3.36Å; N467-S471 VanDerWaalsContact O-N 3.13Å; N467-S471 PolarHBondContact O-OG 3.14Å; N467-C473 CarbonylContact C-O 3.53Å; N467-C473 VanDerWaalsContact C-O 3.26Å; N467-C473 HydrophobicContact CB-CB 4.3Å; N467-E475 HydrophobicContact CB-CB 3.78Å; N467-E475 PolarHBondContact ND2-OE1 3.13Å; N467-E475 PolarHBondContact ND2-OE2 3.14Å
468	Y	98.7	Very high	97.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.6	-39	-177	-177.6	-115.9	0	0	0	112.6	Y400 T415 D417 F421 Q464 D465 F466 C473 F474 H537	Y400-Y468 AromaticContact CE1-CD1 3.84Å; Y400-Y468 HydrophobicContact CE1-CD1 3.84Å; Y400-Y468 HydrophobicContact CE1-CE1 4.15Å; T415-Y468 HydrophobicContact CG2-CD1 4.07Å; T415-Y468 HydrophobicContact CG2-CE1 3.72Å; D417-Y468 HydrophobicContact CB-CE2 4.38Å; D417-Y468 PolarHBondContact N-OH 3.04Å; D417-Y468 PolarHBondContact OD2-OH 3.35Å; F421-Y468 HydrophobicContact CE2-CD1 4.41Å; F421-Y468 AromaticContact CE2-CD2 3.78Å; F421-Y468 HydrophobicContact CE2-CD2 3.78Å; F421-Y468 HydrophobicContact CE2-CE1 4.33Å; F421-Y468 AromaticContact CE2-CE2 3.66Å; F421-Y468 HydrophobicContact CE2-CE2 3.66Å; F421-Y468 HydrophobicContact CE2-CG 4.15Å; F421-Y468 AromaticContact CE2-CZ 3.96Å; F421-Y468 AromaticContact CZ-CD2 3.61Å; F421-Y468 HydrophobicContact CZ-CD2 3.61Å; F421-Y468 AromaticContact CZ-CE2 3.98Å; F421-Y468 HydrophobicContact CZ-CE2 3.98Å; F421-Y468 AromaticContact CZ-CG 3.92Å; F421-Y468 HydrophobicContact CZ-CG 3.92Å; Q464-Y468 PolarHBondContact O-N 3.42Å; D465-Y468 PolarHBondContact O-N 3.35Å; F466-Y468 VanDerWaalsContact C-N 3.33Å; F466-Y468 PolarHBondContact O-N 2.98Å; Y468-C473 WeakPolarHBondContact CA-O 3.3Å; Y468-C473 PolarHBondContact N-O 2.85Å; Y468-F474 HydrophobicContact CD2-CD1 4.47Å; Y468-F474 HydrophobicContact CD2-CD2 4.4Å; Y468-F474 HydrophobicContact CD2-CE1 4.37Å; Y468-F474 HydrophobicContact CD2-CE2 4.33Å; Y468-F474 HydrophobicContact CD2-CG 4.46Å; Y468-F474 HydrophobicContact CD2-CZ 4.3Å; Y468-F474 HydrophobicContact CE2-CD2 4.3Å; Y468-F474 HydrophobicContact CE2-CE1 4.18Å; Y468-F474 AromaticContact CE2-CE2 3.81Å; Y468-F474 HydrophobicContact CE2-CE2 3.81Å; Y468-F474 AromaticContact CE2-CZ 3.72Å; Y468-F474 HydrophobicContact CE2-CZ 3.72Å; Y468-H537 AromaticContact CD2-CE1 3.99Å; Y468-H537 AromaticContact CD2-NE2 3.7Å; Y468-H537 AromaticContact CE1-ND1 3.97Å; Y468-H537 AromaticContact CE2-CD2 3.34Å; Y468-H537 WeakPolarHBondContact CE2-CD2 3.35Å; Y468-H537 AromaticContact CE2-CE1 3.74Å; Y468-H537 AromaticContact CE2-CG 3.83Å; Y468-H537 AromaticContact CE2-NE2 3.3Å; Y468-H537 VanDerWaalsContact CE2-NE2 3.3Å; Y468-H537 WeakPolarHBondContact CE2-NE2 3.39Å; Y468-H537 AromaticContact CZ-CD2 3.52Å; Y468-H537 AromaticContact CZ-CE1 3.83Å; Y468-H537 AromaticContact CZ-CG 3.49Å; Y468-H537 VanDerWaalsContact CZ-CG 3.49Å; Y468-H537 AromaticContact CZ-ND1 3.68Å; Y468-H537 AromaticContact CZ-NE2 3.76Å; Y468-H537 PolarHBondContact O-CE1 3.41Å; Y468-H537 WeakPolarHBondContact OH-CB 3.26Å; Y468-H537 PolarHBondContact OH-CD2 3.35Å; Y468-H537 VanDerWaalsContact OH-CG 3.23Å
469	L	98.3	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-86.4	-25.1	-174.3	-68	177.7	0	0	0	114.5	L338 T339 V342 T353 H355 I356 Y400 D465 F466	L338-L469 HydrophobicContact CB-CB 3.79Å; L338-L469 HydrophobicContact CB-CD1 3.63Å; L338-L469 HydrophobicContact CB-CG 4.37Å; L338-L469 HydrophobicContact CD1-CB 3.88Å; L338-L469 HydrophobicContact CG-CB 4.49Å; T339-L469 WeakPolarHBondContact OG1-CD1 3.34Å; V342-L469 HydrophobicContact CG2-CD1 4.1Å; V342-L469 HydrophobicContact CG2-CD2 3.71Å; T353-L469 VanDerWaalsContact O-CD2 3.25Å; T353-L469 WeakPolarHBondContact O-CD2 3.48Å; H355-L469 PolarHBondContact N-O 3.45Å; H355-L469 VanDerWaalsContact N-O 3.11Å; I356-L469 HydrophobicContact CD1-CB 4.33Å; I356-L469 HydrophobicContact CD1-CD2 4.19Å; I356-L469 PolarHBondContact N-O 3.4Å; Y400-L469 HydrophobicContact CE1-CD1 3.88Å; Y400-L469 HydrophobicContact CE1-CD2 3.75Å; Y400-L469 HydrophobicContact CE1-CG 3.91Å; Y400-L469 WeakPolarHBondContact OH-CD2 3.02Å; D465-L469 WeakPolarHBondContact O-CB 3.09Å; D465-L469 VanDerWaalsContact O-CG 3.31Å; D465-L469 WeakPolarHBondContact O-CG 3.29Å; D465-L469 PolarHBondContact O-N 2.94Å; F466-L469 PolarHBondContact O-N 2.89Å
470	H	97.5	Very high	97.5	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-102.5	-19.2	-176.7	-165.3	60.5	0	0	0	113.9	L338 I356 F466 Y609	L338-H470 HydrophobicContact CD1-CB 3.74Å; I356-H470 PolarHBondContact O-ND1 3.26Å; F466-H470 HydrophobicContact CD2-CB 3.98Å; F466-H470 HydrophobicContact CE1-CB 4.27Å; F466-H470 HydrophobicContact CE2-CB 3.66Å; F466-H470 AromaticContact CE2-CD2 3.82Å; F466-H470 AromaticContact CE2-CG 3.65Å; F466-H470 HydrophobicContact CG-CB 4.42Å; F466-H470 HydrophobicContact CZ-CB 3.83Å; F466-H470 AromaticContact CZ-CD2 3.36Å; F466-H470 WeakPolarHBondContact CZ-CD2 3.24Å; F466-H470 AromaticContact CZ-CG 3.66Å; F466-H470 WeakPolarHBondContact O-CB 3.31Å; F466-H470 PolarHBondContact O-N 2.93Å; H470-Y609 AromaticContact CE1-CE2 3.54Å; H470-Y609 AromaticContact ND1-CE2 3.82Å; H470-Y609 WeakPolarHBondContact O-CE2 3.44Å; H470-Y609 PolarHBondContact O-OH 3.35Å
471	S	97.6	Very high	97.2	Very high	9 Å²	9	4.6 Å²	4.6	6%	0.063	3%	0.031	C	C	.	.	S	Bend	trans	-137.4	-173.9	-175.1	80	0	0	0	0	111.9	N467 C473	N467-S471 PolarHBondContact O-N 3.36Å; N467-S471 VanDerWaalsContact O-N 3.13Å; N467-S471 PolarHBondContact O-OG 3.14Å; S471-C473 VanDerWaalsContact C-N 3.28Å; S471-C473 VanDerWaalsContact OG-CB 3.28Å; S471-C473 WeakPolarHBondContact OG-CB 3.39Å; S471-C473 PolarHBondContact OG-N 2.81Å
472	N	98.4	Very high	96.7	Very high	27 Å²	27	7 Å²	7	14%	0.144	5%	0.046	C	C	.	.	S	Bend	trans	-78.7	-9.6	170.6	-71.4	-37.2	0	0	0	113.4	H355 F383 F474 I539 T540	H355-N472 PolarHBondContact CE1-OD1 3.19Å; H355-N472 PolarHBondContact NE2-OD1 2.77Å; F383-N472 CarbonylContact O-C 3.47Å; N472-F474 WeakPolarHBondContact O-CD1 3.33Å; N472-I539 HydrophobicContact CB-CG2 4.31Å; N472-I539 WeakPolarHBondContact OD1-CA 3.44Å; N472-I539 WeakPolarHBondContact OD1-CB 3.34Å; N472-I539 WeakPolarHBondContact OD1-CG2 3.49Å; N472-T540 PolarHBondContact ND2-O 2.89Å; N472-T540 PolarHBondContact ND2-OG1 3.05Å; N472-T540 PolarHBondContact OD1-N 2.86Å
473	C	98.8	Very high	96.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.071	C	C	.	.			trans	-78.1	127.7	-166.5	-174.3	0	0	0	0	112.8	F383 S386 N467 Y468 S471	F383-C473 HydrophobicContact CB-CB 3.8Å; F383-C473 VanDerWaalsContact O-CA 3.26Å; F383-C473 WeakPolarHBondContact O-CA 3.09Å; F383-C473 WeakPolarHBondContact O-CB 3.44Å; F383-C473 PolarHBondContact O-N 3.11Å; S386-C473 WeakPolarHBondContact CB-SG 3.49Å; N467-C473 CarbonylContact C-O 3.53Å; N467-C473 VanDerWaalsContact C-O 3.26Å; N467-C473 HydrophobicContact CB-CB 4.3Å; Y468-C473 WeakPolarHBondContact CA-O 3.3Å; Y468-C473 PolarHBondContact N-O 2.85Å; S471-C473 VanDerWaalsContact C-N 3.28Å; S471-C473 VanDerWaalsContact OG-CB 3.28Å; S471-C473 WeakPolarHBondContact OG-CB 3.39Å; S471-C473 PolarHBondContact OG-N 2.81Å
474	F	98.9	Very high	95.6	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.013	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	172.3	-75.1	59.3	0	0	0	108.5	V384 L385 S386 D417 V420 F421 L424 Y468 N472 L550	V384-F474 PolarHBondContact O-N 2.8Å; L385-F474 CarbonylContact C-O 3.57Å; L385-F474 WeakPolarHBondContact CA-O 3.42Å; L385-F474 HydrophobicContact CD1-CB 4.27Å; L385-F474 WeakPolarHBondContact CD1-O 3.4Å; S386-F474 PolarHBondContact N-O 3.03Å; D417-F474 HydrophobicContact CB-CE2 3.65Å; D417-F474 HydrophobicContact CB-CZ 4.22Å; V420-F474 HydrophobicContact CB-CE2 4.47Å; V420-F474 HydrophobicContact CG1-CD2 4.28Å; V420-F474 HydrophobicContact CG1-CE2 4.16Å; F421-F474 HydrophobicContact CD1-CD2 4.44Å; F421-F474 HydrophobicContact CD2-CD2 4.33Å; F421-F474 HydrophobicContact CE1-CB 4.02Å; F421-F474 AromaticContact CE1-CD2 3.85Å; F421-F474 HydrophobicContact CE1-CD2 3.85Å; F421-F474 HydrophobicContact CE1-CG 4.32Å; F421-F474 AromaticContact CE2-CD2 3.74Å; F421-F474 HydrophobicContact CE2-CD2 3.74Å; F421-F474 AromaticContact CE2-CE2 3.98Å; F421-F474 HydrophobicContact CE2-CE2 3.98Å; F421-F474 HydrophobicContact CZ-CB 4.16Å; F421-F474 AromaticContact CZ-CD2 3.47Å; F421-F474 HydrophobicContact CZ-CD2 3.47Å; F421-F474 VanDerWaalsContact CZ-CD2 3.47Å; F421-F474 HydrophobicContact CZ-CE2 4.14Å; F421-F474 HydrophobicContact CZ-CG 4.04Å; L424-F474 HydrophobicContact CD1-CB 4.2Å; L424-F474 HydrophobicContact CD1-CD2 4.32Å; Y468-F474 HydrophobicContact CD2-CD1 4.47Å; Y468-F474 HydrophobicContact CD2-CD2 4.4Å; Y468-F474 HydrophobicContact CD2-CE1 4.37Å; Y468-F474 HydrophobicContact CD2-CE2 4.33Å; Y468-F474 HydrophobicContact CD2-CG 4.46Å; Y468-F474 HydrophobicContact CD2-CZ 4.3Å; Y468-F474 HydrophobicContact CE2-CD2 4.3Å; Y468-F474 HydrophobicContact CE2-CE1 4.18Å; Y468-F474 AromaticContact CE2-CE2 3.81Å; Y468-F474 HydrophobicContact CE2-CE2 3.81Å; Y468-F474 AromaticContact CE2-CZ 3.72Å; Y468-F474 HydrophobicContact CE2-CZ 3.72Å; N472-F474 WeakPolarHBondContact O-CD1 3.33Å; F474-L550 HydrophobicContact CB-CD1 3.99Å; F474-L550 HydrophobicContact CD1-CD1 4.23Å; F474-L550 HydrophobicContact CD2-CD1 4.41Å; F474-L550 HydrophobicContact CG-CD1 3.97Å
475	E	98.9	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.4	177.3	-170.8	163.4	92.8	0	0	111.7	K242 S386 P399 F421 M463 Q464 N467	K242-E475 IonicContact NZ-OE2 3.82Å; K242-E475 PolarHBondContact NZ-OE2 3.43Å; S386-E475 WeakPolarHBondContact CB-OE2 3.31Å; S386-E475 WeakPolarHBondContact O-CA 3.36Å; S386-E475 PolarHBondContact OG-OE2 2.94Å; P399-E475 WeakPolarHBondContact CD-O 3.03Å; F421-E475 WeakPolarHBondContact CE1-O 3.07Å; M463-E475 WeakPolarHBondContact CE-OE1 3.3Å; M463-E475 WeakPolarHBondContact CG-OE1 3.42Å; Q464-E475 WeakPolarHBondContact CA-OE1 3.43Å; Q464-E475 HydrophobicContact CB-CG 4.47Å; Q464-E475 PolarHBondContact N-OE1 2.67Å; N467-E475 HydrophobicContact CB-CB 3.78Å; N467-E475 PolarHBondContact ND2-OE1 3.13Å; N467-E475 PolarHBondContact ND2-OE2 3.14Å
476	V	98.7	Very high	94.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	161.5	166.6	-58.2	0	0	0	0	110.1	S386 A387 S388 V396 F421 L424 Q464 V478 F505	S386-V476 PolarHBondContact O-N 3.03Å; S386-V476 VanDerWaalsContact O-N 3.12Å; A387-V476 CarbonylContact C-O 3.48Å; A387-V476 VanDerWaalsContact CA-O 3.31Å; A387-V476 WeakPolarHBondContact CA-O 3.44Å; A387-V476 HydrophobicContact CB-CG2 4.02Å; S388-V476 PolarHBondContact N-O 3.03Å; V396-V476 HydrophobicContact CG1-CB 4.11Å; V396-V476 HydrophobicContact CG1-CG2 4.08Å; F421-V476 HydrophobicContact CD1-CG1 4.11Å; L424-V476 HydrophobicContact CB-CG1 4.42Å; Q464-V476 VanDerWaalsContact OE1-C 3.23Å; Q464-V476 VanDerWaalsContact OE1-CA 3.31Å; V476-V478 HydrophobicContact CG2-CG2 4.29Å; V476-F505 HydrophobicContact CG2-CE1 4.43Å; V476-F505 HydrophobicContact CG2-CE2 3.65Å; V476-F505 HydrophobicContact CG2-CZ 3.47Å; V476-F505 VanDerWaalsContact CG2-CZ 3.47Å
477	T	98.5	Very high	94.4	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.1	178.2	-57.7	0	0	0	0	108.4	S388 H390 V396 S397 Q464	S388-T477 CarbonylContact O-C 3.15Å; S388-T477 WeakPolarHBondContact O-CA 3.43Å; H390-T477 HydrophobicContact CB-CG2 4.5Å; H390-T477 VanDerWaalsContact CD2-CG2 3.4Å; H390-T477 WeakPolarHBondContact CD2-CG2 3.5Å; V396-T477 CarbonylContact C-O 3.5Å; V396-T477 WeakPolarHBondContact CA-O 3.27Å; S397-T477 PolarHBondContact N-O 2.83Å; S397-T477 PolarHBondContact O-N 3.49Å; Q464-T477 PolarHBondContact OE1-OG1 2.92Å
478	V	97.7	Very high	93.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	-178.7	-180	0	0	0	0	108.8	A387 S388 F389 H390 V396 Y428 V476 L480	A387-V478 HydrophobicContact CB-CG2 4.26Å; S388-V478 PolarHBondContact O-N 3.43Å; F389-V478 WeakPolarHBondContact CA-O 3.44Å; F389-V478 HydrophobicContact CD1-CB 3.77Å; F389-V478 HydrophobicContact CD1-CG1 3.94Å; F389-V478 HydrophobicContact CD1-CG2 4.42Å; F389-V478 HydrophobicContact CE1-CB 3.91Å; F389-V478 HydrophobicContact CE1-CG1 4Å; F389-V478 HydrophobicContact CE1-CG2 4.09Å; H390-V478 PolarHBondContact N-O 2.79Å; V396-V478 HydrophobicContact CG1-CG2 4.18Å; V396-V478 HydrophobicContact CG2-CG2 4.37Å; Y428-V478 HydrophobicContact CD1-CG1 3.84Å; Y428-V478 HydrophobicContact CD1-CG2 4.28Å; Y428-V478 HydrophobicContact CD2-CG2 4.14Å; Y428-V478 HydrophobicContact CE1-CG1 3.35Å; Y428-V478 HydrophobicContact CE1-CG2 4.43Å; Y428-V478 HydrophobicContact CE2-CG1 4.25Å; Y428-V478 HydrophobicContact CE2-CG2 4.27Å; Y428-V478 HydrophobicContact CG-CG1 4.49Å; Y428-V478 HydrophobicContact CG-CG2 4.16Å; V476-V478 HydrophobicContact CG2-CG2 4.29Å; V478-L480 HydrophobicContact CG1-CD2 3.86Å; V478-L480 HydrophobicContact CG1-CG 4.34Å
479	S	94.3	Very high	93.4	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.7	170.6	-52.5	0	0	0	0	108.8	H390 D393 R394 M395	H390-S479 WeakPolarHBondContact O-CA 3.36Å; D393-S479 CarbonylContact O-C 3.56Å; D393-S479 WeakPolarHBondContact O-CB 3.39Å; R394-S479 WeakPolarHBondContact CA-O 3.44Å; M395-S479 PolarHBondContact N-O 3.01Å; M395-S479 VanDerWaalsContact N-O 3.09Å; M395-S479 PolarHBondContact O-N 3.3Å
480	L	91.8	Very high	92.9	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-27.1	-166	-68.3	166.1	0	0	0	113.9	L253 G254 L257 F389 H390 Y428 V478 N498	L253-L480 HydrophobicContact CB-CD1 4.37Å; L253-L480 HydrophobicContact CD2-CB 3.76Å; L253-L480 HydrophobicContact CD2-CD1 4.22Å; L253-L480 HydrophobicContact CG-CB 4.47Å; L253-L480 HydrophobicContact CG-CD1 4.03Å; G254-L480 VanDerWaalsContact CA-CD1 3.43Å; L257-L480 HydrophobicContact CD1-CD1 3.71Å; L257-L480 HydrophobicContact CD1-CD2 3.8Å; L257-L480 HydrophobicContact CD1-CG 4.36Å; F389-L480 HydrophobicContact CB-CD1 4.11Å; F389-L480 HydrophobicContact CD1-CD1 4.08Å; F389-L480 HydrophobicContact CD1-CD2 3.97Å; F389-L480 HydrophobicContact CD1-CG 4.19Å; F389-L480 HydrophobicContact CE1-CD2 4.47Å; H390-L480 PolarHBondContact O-N 3.33Å; Y428-L480 WeakPolarHBondContact OH-CD2 3.45Å; V478-L480 HydrophobicContact CG1-CD2 3.86Å; V478-L480 HydrophobicContact CG1-CG 4.34Å; L480-N498 WeakPolarHBondContact CD2-OD1 3.33Å
481	G	86.6	Confident	92.7	Very high	15 Å²	15	34.8 Å²	34.8	16%	0.155	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	165.1	-175.3	0	0	0	0	0	112.9	G392 D393	G392-G481 PolarHBondContact N-O 3.44Å; D393-G481 PolarHBondContact N-O 3.44Å; D393-G481 VanDerWaalsContact N-O 3.12Å; D393-G481 CarbonylContact O-C 3.51Å; D393-G481 VanDerWaalsContact O-C 3.22Å; D393-G481 WeakPolarHBondContact O-CA 3.3Å; D393-G481 PolarHBondContact O-N 2.86Å
482	C	84.4	Confident	92.4	Very high	57 Å²	57	38.7 Å²	38.7	39%	0.385	20%	0.198	S	C	.	.	S	Bend	trans	-69.2	-43.5	-176.3	-43.2	0	0	0	0	112	G392 C439 K484	G392-C482 VanDerWaalsContact CA-O 3.29Å; G392-C482 WeakPolarHBondContact CA-O 3.17Å; C439-C482 WeakPolarHBondContact CA-SG 3.48Å; C439-C482 HydrophobicContact CB-CB 3.79Å; C439-C482 WeakPolarHBondContact CB-SG 3.32Å; C439-C482 WeakPolarHBondContact SG-CA 3.3Å; C439-C482 WeakPolarHBondContact SG-CB 3.32Å; C439-C482 PolarHBondContact SG-N 3.48Å; C439-C482 CovalentContact SG-SG 2.02Å; C439-C482 PolarHBondContact SG-SG 2.98Å; C482-K484 PolarHBondContact O-N 3.24Å
483	D	86.3	Confident	92	Very high	101 Å²	101	41.9 Å²	41.9	54%	0.54	21%	0.214	S	C	.	.			trans	-74.7	119.4	178.3	-65.2	-43.5	0	0	0	109	F485 P486	D483-F485 VanDerWaalsContact C-N 3.26Å; D483-F485 PolarHBondContact O-N 3.23Å; D483-P486 HydrophobicContact CB-CB 4.37Å
484	K	88.3	Confident	91.8	Very high	55 Å²	55	42.7 Å²	42.7	24%	0.239	22%	0.22	C	C	.	.	S	Bend	trans	-64.6	-38.9	-178.3	-67.6	-173.1	-178.3	178.7	0	111.5	N250 E251 P252 G319 C482	N250-K484 CarbonylContact O-C 3.49Å; N250-K484 WeakPolarHBondContact O-CB 3.34Å; E251-K484 HydrophobicContact CG-CB 4.17Å; E251-K484 HydrophobicContact CG-CD 4.16Å; E251-K484 HydrophobicContact CG-CG 4.17Å; P252-K484 WeakPolarHBondContact CD-O 3.45Å; G319-K484 PolarHBondContact O-NZ 3.48Å; C482-K484 PolarHBondContact O-N 3.24Å
485	F	91.1	Very high	91.6	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.329	22%	0.221	S	C	.	.	S	Bend	trans	-129.1	76.3	-177.2	-152.9	-56.1	0	0	0	108.4	Y187 P252 Y296 A299 V300 D483	Y187-F485 HydrophobicContact CD1-CE1 4.15Å; Y187-F485 HydrophobicContact CD1-CZ 4.29Å; Y187-F485 AromaticContact CD2-CE1 3.66Å; Y187-F485 HydrophobicContact CD2-CE1 3.66Å; Y187-F485 HydrophobicContact CD2-CZ 4.36Å; Y187-F485 HydrophobicContact CE1-CD1 4.38Å; Y187-F485 AromaticContact CE1-CE1 3.91Å; Y187-F485 HydrophobicContact CE1-CE1 3.91Å; Y187-F485 HydrophobicContact CE1-CZ 4.32Å; Y187-F485 AromaticContact CE2-CD1 3.83Å; Y187-F485 HydrophobicContact CE2-CD1 3.83Å; Y187-F485 AromaticContact CE2-CE1 3.37Å; Y187-F485 HydrophobicContact CE2-CE1 3.37Å; Y187-F485 HydrophobicContact CE2-CZ 4.37Å; Y187-F485 HydrophobicContact CG-CE1 4.04Å; Y187-F485 HydrophobicContact CG-CZ 4.32Å; Y187-F485 AromaticContact CZ-CD1 3.72Å; Y187-F485 AromaticContact CZ-CE1 3.49Å; Y187-F485 VanDerWaalsContact CZ-CE1 3.49Å; P252-F485 HydrophobicContact CB-CE2 4.39Å; P252-F485 HydrophobicContact CG-CB 4.46Å; P252-F485 HydrophobicContact CG-CD1 4.07Å; P252-F485 HydrophobicContact CG-CD2 3.53Å; P252-F485 HydrophobicContact CG-CE1 4.15Å; P252-F485 HydrophobicContact CG-CE2 3.62Å; P252-F485 HydrophobicContact CG-CG 3.76Å; P252-F485 HydrophobicContact CG-CZ 3.92Å; Y296-F485 HydrophobicContact CE2-CE2 4.36Å; Y296-F485 HydrophobicContact CE2-CZ 4.41Å; A299-F485 HydrophobicContact CB-CD2 4.31Å; A299-F485 HydrophobicContact CB-CE2 4.04Å; V300-F485 HydrophobicContact CG2-CE2 4.22Å; V300-F485 HydrophobicContact CG2-CZ 3.99Å; D483-F485 VanDerWaalsContact C-N 3.26Å; D483-F485 PolarHBondContact O-N 3.23Å
486	P	89.8	Confident	91.3	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.026	24%	0.243	C	C	.	.			trans	-65.4	156.9	-178.9	28.5	-35	0	0	0	111	Y187 L253 D483 E490	Y187-P486 VanDerWaalsContact CE2-O 3.22Å; Y187-P486 WeakPolarHBondContact CE2-O 3.41Å; Y187-P486 VanDerWaalsContact CZ-O 3.31Å; Y187-P486 VanDerWaalsContact OH-CD 3.29Å; Y187-P486 WeakPolarHBondContact OH-CD 3.28Å; Y187-P486 WeakPolarHBondContact OH-CG 3.49Å; Y187-P486 PolarHBondContact OH-O 3.4Å; L253-P486 HydrophobicContact CB-CG 4.38Å; L253-P486 HydrophobicContact CD1-CG 4.24Å; L253-P486 HydrophobicContact CD2-CG 4.26Å; D483-P486 HydrophobicContact CB-CB 4.37Å; P486-E490 HydrophobicContact CB-CB 4.32Å
487	P	88.3	Confident	91	Very high	52 Å²	52	49.7 Å²	49.7	34%	0.338	25%	0.253	S	S	.	.			trans	-68.5	158	177.6	33.7	-38.4	0	0	0	111.6	E489 E490	P487-E489 VanDerWaalsContact C-N 3.27Å; P487-E489 HydrophobicContact CB-CG 4.36Å; P487-E489 WeakPolarHBondContact CB-OE1 3.22Å; P487-E489 HydrophobicContact CG-CG 4.21Å; P487-E489 PolarHBondContact O-N 2.92Å; P487-E490 HydrophobicContact CG-CG 4Å; P487-E490 PolarHBondContact O-N 3.36Å
488	E	89.6	Confident	90.9	Very high	85 Å²	85	49.4 Å²	49.4	40%	0.397	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-60.8	-33.9	-171.1	-70.8	-167.3	154.2	0	0	113.4	Y187 E490 L491	Y187-E488 HydrophobicContact CD2-CG 3.51Å; Y187-E488 HydrophobicContact CE2-CG 3.94Å; Y187-E488 PolarHBondContact N-OE1 3.24Å; E488-E490 PolarHBondContact O-N 3.48Å; E488-E490 VanDerWaalsContact O-N 3.1Å; E488-L491 HydrophobicContact CB-CD1 4.22Å; E488-L491 HydrophobicContact CG-CD1 4.22Å; E488-L491 VanDerWaalsContact O-CB 3.3Å; E488-L491 WeakPolarHBondContact O-CB 3.43Å; E488-L491 WeakPolarHBondContact O-CG 3.34Å; E488-L491 PolarHBondContact O-N 2.98Å
489	E	86.8	Confident	90.8	Very high	148 Å²	148	51.5 Å²	51.5	69%	0.692	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-59.3	-21.2	176.7	58	-93.7	-148.8	0	0	113.9	P487	P487-E489 VanDerWaalsContact C-N 3.27Å; P487-E489 HydrophobicContact CB-CG 4.36Å; P487-E489 WeakPolarHBondContact CB-OE1 3.22Å; P487-E489 HydrophobicContact CG-CG 4.21Å; P487-E489 PolarHBondContact O-N 2.92Å
490	E	89	Confident	90.9	Very high	76 Å²	76	55.3 Å²	55.3	36%	0.355	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-88.3	-10.9	177.5	-68.8	-176.4	-158.4	0	0	113.4	P486 P487 E488 F492 L493 S494	P486-E490 HydrophobicContact CB-CB 4.32Å; P487-E490 HydrophobicContact CG-CG 4Å; P487-E490 PolarHBondContact O-N 3.36Å; E488-E490 PolarHBondContact O-N 3.48Å; E488-E490 VanDerWaalsContact O-N 3.1Å; E490-F492 PolarHBondContact O-N 3Å; E490-L493 PolarHBondContact O-N 2.81Å; E490-S494 VanDerWaalsContact O-CB 3.3Å; E490-S494 WeakPolarHBondContact O-CB 3.2Å; E490-S494 PolarHBondContact O-N 3.2Å; E490-S494 PolarHBondContact O-OG 2.84Å
491	L	92.1	Very high	91.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-40.2	-175.7	-67.1	175.1	0	0	0	112.3	F185 Y187 L253 E488 S494 W495	F185-L491 HydrophobicContact CB-CB 4.07Å; Y187-L491 HydrophobicContact CD2-CD1 4.3Å; Y187-L491 HydrophobicContact CE1-CD2 4.1Å; Y187-L491 HydrophobicContact CE2-CD1 4.21Å; Y187-L491 HydrophobicContact CE2-CD2 4.5Å; Y187-L491 HydrophobicContact CG-CD1 4.49Å; L253-L491 HydrophobicContact CD1-CD2 3.71Å; E488-L491 HydrophobicContact CB-CD1 4.22Å; E488-L491 HydrophobicContact CG-CD1 4.22Å; E488-L491 VanDerWaalsContact O-CB 3.3Å; E488-L491 WeakPolarHBondContact O-CB 3.43Å; E488-L491 WeakPolarHBondContact O-CG 3.34Å; E488-L491 PolarHBondContact O-N 2.98Å; L491-S494 PolarHBondContact O-N 3.03Å; L491-W495 WeakPolarHBondContact O-CB 3.28Å; L491-W495 PolarHBondContact O-N 2.73Å
492	F	92.3	Very high	91.8	Very high	92 Å²	92	54.3 Å²	54.3	40%	0.404	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-45.4	177.2	174	-108	0	0	0	112.1	F185 E490 W495 Q496	F185-F492 HydrophobicContact CB-CB 4.27Å; F185-F492 HydrophobicContact CD1-CB 4.32Å; F185-F492 HydrophobicContact CD1-CD2 4.46Å; F185-F492 HydrophobicContact CD2-CB 4.18Å; F185-F492 AromaticContact CD2-CD2 3.77Å; F185-F492 HydrophobicContact CD2-CD2 3.77Å; F185-F492 HydrophobicContact CD2-CG 4.43Å; F185-F492 HydrophobicContact CE1-CD2 4.23Å; F185-F492 AromaticContact CE2-CD2 3.49Å; F185-F492 HydrophobicContact CE2-CD2 3.49Å; F185-F492 VanDerWaalsContact CE2-CD2 3.49Å; F185-F492 HydrophobicContact CE2-CE2 4.1Å; F185-F492 HydrophobicContact CG-CB 3.99Å; F185-F492 HydrophobicContact CG-CD2 4.26Å; F185-F492 AromaticContact CZ-CD2 3.74Å; F185-F492 HydrophobicContact CZ-CD2 3.74Å; F185-F492 HydrophobicContact CZ-CE2 4.32Å; E490-F492 PolarHBondContact O-N 3Å; F492-W495 WeakPolarHBondContact O-CB 3.32Å; F492-W495 PolarHBondContact O-N 2.9Å; F492-Q496 VanDerWaalsContact CE1-CD 3.49Å; F492-Q496 HydrophobicContact CE1-CG 4.22Å; F492-Q496 VanDerWaalsContact CE1-NE2 3.3Å; F492-Q496 HydrophobicContact CE2-CG 4.3Å; F492-Q496 HydrophobicContact CZ-CG 4.08Å; F492-Q496 WeakPolarHBondContact O-CG 3.45Å; F492-Q496 PolarHBondContact O-N 3.41Å
493	L	90.6	Very high	92.4	Very high	93 Å²	93	51.7 Å²	51.7	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-44.5	177.2	-67.4	173	0	0	0	110.6	E490 W495 Q496 D497	E490-L493 PolarHBondContact O-N 2.81Å; L493-W495 VanDerWaalsContact C-N 3.26Å; L493-W495 PolarHBondContact O-N 2.81Å; L493-Q496 WeakPolarHBondContact O-CB 3.42Å; L493-Q496 PolarHBondContact O-N 3.29Å; L493-Q496 VanDerWaalsContact O-N 3.11Å; L493-D497 PolarHBondContact O-N 2.88Å
494	S	93.3	Very high	93	Very high	17 Å²	17	47.4 Å²	47.4	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-38.4	175.6	-63.1	0	0	0	0	112.3	E490 L491 N498	E490-S494 VanDerWaalsContact O-CB 3.3Å; E490-S494 WeakPolarHBondContact O-CB 3.2Å; E490-S494 PolarHBondContact O-N 3.2Å; E490-S494 PolarHBondContact O-OG 2.84Å; L491-S494 PolarHBondContact O-N 3.03Å; S494-N498 WeakPolarHBondContact O-CB 3.4Å; S494-N498 PolarHBondContact O-N 3.05Å; S494-N498 PolarHBondContact O-ND2 2.87Å
495	W	95.3	Very high	93.5	Very high	12 Å²	12	44.8 Å²	44.8	5%	0.045	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-50.6	172.5	169.5	-104.8	0	0	0	111.7	F185 L257 Y260 L261 Y264 L491 F492 L493 D497 N498 Q499 L502	F185-W495 HydrophobicContact CD1-CB 4.23Å; F185-W495 HydrophobicContact CE1-CB 3.64Å; F185-W495 AromaticContact CE1-CD1 3.68Å; F185-W495 HydrophobicContact CE1-CD2 4.47Å; F185-W495 AromaticContact CE1-CG 3.62Å; F185-W495 HydrophobicContact CE1-CG 3.62Å; F185-W495 AromaticContact CZ-CD1 3.81Å; F185-W495 HydrophobicContact CZ-CG 4.22Å; L257-W495 HydrophobicContact CD2-CB 4.02Å; L257-W495 HydrophobicContact CD2-CE3 4.11Å; Y260-W495 HydrophobicContact CD2-CB 4.24Å; Y260-W495 HydrophobicContact CD2-CD2 4.46Å; Y260-W495 HydrophobicContact CD2-CE3 4.19Å; Y260-W495 HydrophobicContact CD2-CG 4.5Å; Y260-W495 HydrophobicContact CG-CE3 4.43Å; L261-W495 HydrophobicContact CB-CH2 4.16Å; L261-W495 HydrophobicContact CB-CZ3 4.02Å; L261-W495 HydrophobicContact CD1-CH2 4.25Å; Y264-W495 HydrophobicContact CD1-CH2 4.37Å; Y264-W495 HydrophobicContact CD1-CZ2 4.32Å; Y264-W495 HydrophobicContact CD2-CZ2 4.12Å; Y264-W495 HydrophobicContact CG-CH2 4.16Å; Y264-W495 AromaticContact CG-CZ2 3.82Å; Y264-W495 HydrophobicContact CG-CZ2 3.82Å; L491-W495 WeakPolarHBondContact O-CB 3.28Å; L491-W495 PolarHBondContact O-N 2.73Å; F492-W495 WeakPolarHBondContact O-CB 3.32Å; F492-W495 PolarHBondContact O-N 2.9Å; L493-W495 VanDerWaalsContact C-N 3.26Å; L493-W495 PolarHBondContact O-N 2.81Å; W495-D497 PolarHBondContact O-N 3.1Å; W495-N498 PolarHBondContact O-N 3.24Å; W495-N498 VanDerWaalsContact O-N 3.11Å; W495-Q499 HydrophobicContact CD2-CB 4.32Å; W495-Q499 HydrophobicContact CH2-CB 4.27Å; W495-Q499 HydrophobicContact CH2-CG 3.97Å; W495-Q499 HydrophobicContact CZ2-CB 3.93Å; W495-Q499 HydrophobicContact CZ2-CG 3.51Å; W495-Q499 WeakPolarHBondContact O-CB 3.34Å; W495-Q499 PolarHBondContact O-N 3.31Å; W495-L502 HydrophobicContact CZ3-CD1 3.94Å
496	Q	93.1	Very high	93.8	Very high	96 Å²	96	41.2 Å²	41.2	45%	0.449	20%	0.203	S	C	.	.	H	α-helix	trans	-55.3	-39.9	177.6	-71.9	-169.8	-30.2	0	0	112.1	F492 L493 N498	F492-Q496 VanDerWaalsContact CE1-CD 3.49Å; F492-Q496 HydrophobicContact CE1-CG 4.22Å; F492-Q496 VanDerWaalsContact CE1-NE2 3.3Å; F492-Q496 HydrophobicContact CE2-CG 4.3Å; F492-Q496 HydrophobicContact CZ-CG 4.08Å; F492-Q496 WeakPolarHBondContact O-CG 3.45Å; F492-Q496 PolarHBondContact O-N 3.41Å; L493-Q496 WeakPolarHBondContact O-CB 3.42Å; L493-Q496 PolarHBondContact O-N 3.29Å; L493-Q496 VanDerWaalsContact O-N 3.11Å; Q496-N498 VanDerWaalsContact C-N 3.33Å; Q496-N498 PolarHBondContact O-N 3.32Å
497	D	91.9	Very high	94.2	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	22%	0.217	C	C	.	.	H	α-helix	trans	-71.5	-25.1	-178.5	-73.4	-40.9	0	0	0	114.7	N432 T433 A434 L493 W495	N432-D497 WeakPolarHBondContact CA-O 3.45Å; N432-D497 VanDerWaalsContact CG-O 3.32Å; N432-D497 PolarHBondContact ND2-O 3.19Å; T433-D497 PolarHBondContact N-O 3.09Å; T433-D497 WeakPolarHBondContact OG1-CA 3.25Å; T433-D497 PolarHBondContact OG1-OD1 2.83Å; A434-D497 WeakPolarHBondContact CA-OD1 3.35Å; A434-D497 HydrophobicContact CB-CB 3.76Å; A434-D497 WeakPolarHBondContact CB-OD2 3.34Å; A434-D497 PolarHBondContact N-OD1 2.94Å; L493-D497 PolarHBondContact O-N 2.88Å; W495-D497 PolarHBondContact O-N 3.1Å
498	N	95.9	Very high	94.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-110.4	-17.2	-173.2	-73.5	-84.3	0	0	0	113.8	L257 Y428 N432 L480 S494 W495 Q496 E500 A501 L502	L257-N498 HydrophobicContact CD1-CB 3.87Å; Y428-N498 PolarHBondContact OH-OD1 2.75Å; N432-N498 VanDerWaalsContact ND2-CG 3.34Å; N432-N498 PolarHBondContact ND2-OD1 3.07Å; L480-N498 WeakPolarHBondContact CD2-OD1 3.33Å; S494-N498 WeakPolarHBondContact O-CB 3.4Å; S494-N498 PolarHBondContact O-N 3.05Å; S494-N498 PolarHBondContact O-ND2 2.87Å; W495-N498 PolarHBondContact O-N 3.24Å; W495-N498 VanDerWaalsContact O-N 3.11Å; Q496-N498 VanDerWaalsContact C-N 3.33Å; Q496-N498 PolarHBondContact O-N 3.32Å; N498-E500 PolarHBondContact O-N 3.38Å; N498-A501 WeakPolarHBondContact O-CB 3.25Å; N498-A501 PolarHBondContact O-N 3.07Å; N498-A501 VanDerWaalsContact O-N 3.12Å; N498-L502 HydrophobicContact CB-CD1 4.42Å; N498-L502 WeakPolarHBondContact O-CG 3.42Å; N498-L502 PolarHBondContact O-N 3.07Å
499	Q	96.1	Very high	95	Very high	47 Å²	47	37.9 Å²	37.9	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-54.5	-52.2	-175.3	179	-177.5	-17.7	0	0	112.1	Y264 W495 A501 L502 I503	Y264-Q499 PolarHBondContact OH-NE2 2.75Å; W495-Q499 HydrophobicContact CD2-CB 4.32Å; W495-Q499 HydrophobicContact CH2-CB 4.27Å; W495-Q499 HydrophobicContact CH2-CG 3.97Å; W495-Q499 HydrophobicContact CZ2-CB 3.93Å; W495-Q499 HydrophobicContact CZ2-CG 3.51Å; W495-Q499 WeakPolarHBondContact O-CB 3.34Å; W495-Q499 PolarHBondContact O-N 3.31Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 2.95Å; Q499-L502 PolarHBondContact O-N 3.05Å; Q499-I503 WeakPolarHBondContact O-CG1 3.44Å; Q499-I503 PolarHBondContact O-N 3.03Å
500	E	97.1	Very high	95.5	Very high	85 Å²	85	31.9 Å²	31.9	40%	0.397	16%	0.155	S	C	.	.	H	α-helix	trans	-65	-38.3	178.7	-178.8	57	-144.7	0	0	111.8	R275 N498 L502 I503 A504	R275-E500 IonicContact CZ-OE1 3.29Å; R275-E500 IonicContact CZ-OE2 3.52Å; R275-E500 VanDerWaalsContact NH1-CD 3.31Å; R275-E500 IonicContact NH1-OE1 3.87Å; R275-E500 PolarHBondContact NH1-OE1 3.02Å; R275-E500 IonicContact NH1-OE2 3.97Å; R275-E500 PolarHBondContact NH1-OE2 2.8Å; R275-E500 IonicContact NH2-OE1 2.81Å; R275-E500 PolarHBondContact NH2-OE1 3.19Å; R275-E500 IonicContact NH2-OE2 2.68Å; N498-E500 PolarHBondContact O-N 3.38Å; E500-L502 PolarHBondContact O-N 2.96Å; E500-I503 PolarHBondContact O-N 3.08Å; E500-A504 VanDerWaalsContact O-CB 3.23Å; E500-A504 WeakPolarHBondContact O-CB 3.42Å; E500-A504 PolarHBondContact O-N 3.31Å
501	A	97.6	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-39.6	177.9	0	0	0	0	0	112.7	Y428 N432 N498 Q499 F505	Y428-A501 HydrophobicContact CD1-CB 3.98Å; Y428-A501 HydrophobicContact CD2-CB 4.04Å; Y428-A501 HydrophobicContact CE1-CB 3.85Å; Y428-A501 HydrophobicContact CE2-CB 3.94Å; Y428-A501 HydrophobicContact CG-CB 4.05Å; Y428-A501 WeakPolarHBondContact O-CB 3.4Å; N432-A501 HydrophobicContact CB-CB 4.29Å; N498-A501 WeakPolarHBondContact O-CB 3.25Å; N498-A501 PolarHBondContact O-N 3.07Å; N498-A501 VanDerWaalsContact O-N 3.12Å; Q499-A501 VanDerWaalsContact C-N 3.34Å; Q499-A501 PolarHBondContact O-N 2.95Å; A501-F505 WeakPolarHBondContact O-CB 3.43Å; A501-F505 PolarHBondContact O-N 3.3Å
502	L	98.6	Very high	96.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-51.1	174.5	-72.8	165.1	0	0	0	110.7	L243 L258 L261 F389 Y428 W495 N498 Q499 E500 F505 I506	L243-L502 HydrophobicContact CD1-CD2 4.43Å; L258-L502 HydrophobicContact CD2-CD2 4.38Å; L261-L502 HydrophobicContact CD1-CB 4.46Å; L261-L502 HydrophobicContact CD2-CB 4.41Å; L261-L502 HydrophobicContact CD2-CD1 4.47Å; L261-L502 HydrophobicContact CD2-CD2 4.42Å; F389-L502 HydrophobicContact CE1-CD2 3.72Å; F389-L502 HydrophobicContact CE2-CD2 4.29Å; F389-L502 HydrophobicContact CZ-CD2 3.38Å; Y428-L502 HydrophobicContact CE2-CD2 4.08Å; Y428-L502 HydrophobicContact CE2-CG 4.32Å; W495-L502 HydrophobicContact CZ3-CD1 3.94Å; N498-L502 HydrophobicContact CB-CD1 4.42Å; N498-L502 WeakPolarHBondContact O-CG 3.42Å; N498-L502 PolarHBondContact O-N 3.07Å; Q499-L502 PolarHBondContact O-N 3.05Å; E500-L502 PolarHBondContact O-N 2.96Å; L502-F505 PolarHBondContact O-N 3.39Å; L502-I506 VanDerWaalsContact O-CG1 3.29Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 2.9Å
503	I	98.4	Very high	96.4	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-47	-180	-58.6	-57.1	0	0	0	111.2	L261 Y264 L265 R275 I276 L279 Q499 E500 F505 I506 E507	L261-I503 HydrophobicContact CD1-CD1 3.84Å; Y264-I503 HydrophobicContact CD1-CD1 4.39Å; Y264-I503 HydrophobicContact CE1-CD1 4.08Å; Y264-I503 HydrophobicContact CE1-CG1 4.32Å; L265-I503 HydrophobicContact CD2-CD1 4.14Å; R275-I503 VanDerWaalsContact CZ-CG2 3.46Å; I276-I503 HydrophobicContact CD1-CD1 3.86Å; I276-I503 HydrophobicContact CD1-CG1 4.42Å; I276-I503 HydrophobicContact CD1-CG2 4.37Å; L279-I503 HydrophobicContact CD2-CD1 4.4Å; L279-I503 HydrophobicContact CD2-CG2 4.1Å; Q499-I503 WeakPolarHBondContact O-CG1 3.44Å; Q499-I503 PolarHBondContact O-N 3.03Å; E500-I503 PolarHBondContact O-N 3.08Å; I503-F505 PolarHBondContact O-N 2.96Å; I503-I506 HydrophobicContact CD1-CD1 4.4Å; I503-I506 PolarHBondContact O-N 3.19Å; I503-E507 WeakPolarHBondContact O-CG 3.31Å; I503-E507 PolarHBondContact O-N 3.07Å
504	A	97.8	Very high	96.8	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-33.3	178	0	0	0	0	0	112.7	T427 E500 A508	T427-A504 HydrophobicContact CG2-CB 4.22Å; T427-A504 WeakPolarHBondContact CG2-O 3.46Å; E500-A504 VanDerWaalsContact O-CB 3.23Å; E500-A504 WeakPolarHBondContact O-CB 3.42Å; E500-A504 PolarHBondContact O-N 3.31Å; A504-A508 PolarHBondContact O-N 3.38Å; A504-A508 VanDerWaalsContact O-N 3.17Å
505	F	98.4	Very high	97	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-73	-40.6	176.4	-169.4	-96.6	0	0	0	112.4	L243 L385 S386 A387 L424 Y428 V476 A501 L502 I503 E507 A508	L243-F505 HydrophobicContact CD2-CD1 4.4Å; L385-F505 HydrophobicContact CD1-CE1 4.22Å; L385-F505 HydrophobicContact CD1-CE2 4.47Å; L385-F505 HydrophobicContact CD1-CZ 3.75Å; L385-F505 HydrophobicContact CD2-CD1 4.3Å; L385-F505 HydrophobicContact CD2-CE1 3.9Å; L385-F505 HydrophobicContact CD2-CE2 4.49Å; L385-F505 HydrophobicContact CD2-CZ 4.01Å; L385-F505 VanDerWaalsContact CD2-O 3.32Å; L385-F505 WeakPolarHBondContact CD2-O 3.45Å; L385-F505 HydrophobicContact CG-CE1 3.83Å; L385-F505 HydrophobicContact CG-CZ 3.89Å; S386-F505 WeakPolarHBondContact O-CZ 3.25Å; A387-F505 HydrophobicContact CB-CD1 4.14Å; A387-F505 HydrophobicContact CB-CE1 3.56Å; A387-F505 HydrophobicContact CB-CZ 4.03Å; L424-F505 HydrophobicContact CB-CE2 4.28Å; Y428-F505 HydrophobicContact CD2-CB 3.96Å; Y428-F505 HydrophobicContact CD2-CD2 4.4Å; Y428-F505 HydrophobicContact CD2-CG 4.22Å; V476-F505 HydrophobicContact CG2-CE1 4.43Å; V476-F505 HydrophobicContact CG2-CE2 3.65Å; V476-F505 HydrophobicContact CG2-CZ 3.47Å; V476-F505 VanDerWaalsContact CG2-CZ 3.47Å; A501-F505 WeakPolarHBondContact O-CB 3.43Å; A501-F505 PolarHBondContact O-N 3.3Å; L502-F505 PolarHBondContact O-N 3.39Å; I503-F505 PolarHBondContact O-N 2.96Å; F505-E507 VanDerWaalsContact C-N 3.31Å; F505-E507 PolarHBondContact O-N 2.87Å; F505-A508 VanDerWaalsContact O-CB 3.23Å; F505-A508 WeakPolarHBondContact O-CB 3.43Å; F505-A508 PolarHBondContact O-N 3.11Å; F505-A508 VanDerWaalsContact O-N 3.08Å
506	I	98.5	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-45.9	172.4	-62.9	165.1	0	0	0	109.8	M241 L243 L261 L279 I285 L502 I503 A508 T509	M241-I506 HydrophobicContact CE-CG1 4.15Å; M241-I506 HydrophobicContact SD-CB 3.75Å; M241-I506 HydrophobicContact SD-CG1 3.59Å; M241-I506 VanDerWaalsContact SD-CG1 3.59Å; M241-I506 HydrophobicContact SD-CG2 3.5Å; M241-I506 VanDerWaalsContact SD-CG2 3.5Å; L243-I506 HydrophobicContact CD1-CD1 4.43Å; L243-I506 HydrophobicContact CD1-CG1 4.45Å; L261-I506 HydrophobicContact CD2-CD1 4.22Å; L279-I506 HydrophobicContact CD1-CB 4.37Å; L279-I506 HydrophobicContact CD1-CG2 3.6Å; L279-I506 HydrophobicContact CD2-CB 4.19Å; L279-I506 HydrophobicContact CD2-CD1 4.42Å; L279-I506 HydrophobicContact CD2-CG2 3.72Å; L279-I506 HydrophobicContact CG-CG2 3.72Å; I285-I506 HydrophobicContact CD1-CD1 4.49Å; I285-I506 HydrophobicContact CD1-CG2 3.73Å; I285-I506 HydrophobicContact CG1-CG2 4.01Å; L502-I506 VanDerWaalsContact O-CG1 3.29Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 2.9Å; I503-I506 HydrophobicContact CD1-CD1 4.4Å; I503-I506 PolarHBondContact O-N 3.19Å; I506-A508 PolarHBondContact O-N 3.33Å; I506-T509 VanDerWaalsContact O-CB 3.23Å; I506-T509 WeakPolarHBondContact O-CB 3.23Å; I506-T509 PolarHBondContact O-N 2.79Å; I506-T509 VanDerWaalsContact O-N 3.11Å; I506-T509 PolarHBondContact O-OG1 2.89Å
507	E	98	Very high	97.4	Very high	67 Å²	67	20 Å²	20	31%	0.313	9%	0.093	S	C	.	.	H	α-helix	trans	-59.5	-29.2	176.6	-71.2	172.5	156	0	0	112.7	R275 L279 I503 F505 T509 H510	R275-E507 IonicContact CZ-OE1 3.93Å; R275-E507 IonicContact CZ-OE2 3.78Å; R275-E507 IonicContact NE-OE1 3.84Å; R275-E507 PolarHBondContact NE-OE1 2.52Å; R275-E507 IonicContact NE-OE2 3.33Å; R275-E507 IonicContact NH2-OE1 3.32Å; R275-E507 PolarHBondContact NH2-OE1 2.97Å; R275-E507 IonicContact NH2-OE2 3.02Å; R275-E507 PolarHBondContact NH2-OE2 3.2Å; L279-E507 HydrophobicContact CD1-CG 3.64Å; I503-E507 WeakPolarHBondContact O-CG 3.31Å; I503-E507 PolarHBondContact O-N 3.07Å; F505-E507 VanDerWaalsContact C-N 3.31Å; F505-E507 PolarHBondContact O-N 2.87Å; E507-T509 PolarHBondContact O-N 2.8Å; E507-T509 VanDerWaalsContact O-N 3.16Å; E507-H510 WeakPolarHBondContact O-CB 2.99Å; E507-H510 PolarHBondContact O-N 3.05Å
508	A	97.3	Very high	97.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64.3	-18.4	178.8	0	0	0	0	0	113.4	L385 L424 T427 A504 F505 I506 H510 R511	L385-A508 HydrophobicContact CD2-CB 4.03Å; L424-A508 HydrophobicContact CD2-CB 3.93Å; T427-A508 HydrophobicContact CG2-CB 4.2Å; A504-A508 PolarHBondContact O-N 3.38Å; A504-A508 VanDerWaalsContact O-N 3.17Å; F505-A508 VanDerWaalsContact O-CB 3.23Å; F505-A508 WeakPolarHBondContact O-CB 3.43Å; F505-A508 PolarHBondContact O-N 3.11Å; F505-A508 VanDerWaalsContact O-N 3.08Å; I506-A508 PolarHBondContact O-N 3.33Å; A508-H510 PolarHBondContact O-N 2.84Å; A508-R511 WeakPolarHBondContact O-CB 3.27Å; A508-R511 WeakPolarHBondContact O-CG 3.08Å; A508-R511 PolarHBondContact O-N 2.76Å; A508-R511 VanDerWaalsContact O-N 3.15Å
509	T	97.3	Very high	97.7	Very high	2 Å²	2	20 Å²	20	1%	0.012	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.4	171.8	-47.9	0	0	0	0	111.8	P239 M241 V384 L385 I506 E507 R511	P239-T509 HydrophobicContact CB-CG2 3.52Å; P239-T509 HydrophobicContact CG-CG2 3.82Å; M241-T509 HydrophobicContact CB-CG2 4.08Å; V384-T509 HydrophobicContact CB-CG2 4.06Å; V384-T509 HydrophobicContact CG1-CG2 4.16Å; L385-T509 HydrophobicContact CB-CG2 4.1Å; L385-T509 WeakPolarHBondContact CD2-OG1 3.34Å; I506-T509 VanDerWaalsContact O-CB 3.23Å; I506-T509 WeakPolarHBondContact O-CB 3.23Å; I506-T509 PolarHBondContact O-N 2.79Å; I506-T509 VanDerWaalsContact O-N 3.11Å; I506-T509 PolarHBondContact O-OG1 2.89Å; E507-T509 PolarHBondContact O-N 2.8Å; E507-T509 VanDerWaalsContact O-N 3.16Å; T509-R511 VanDerWaalsContact C-N 3.28Å; T509-R511 PolarHBondContact O-N 3.2Å
510	H	97.3	Very high	97.7	Very high	22 Å²	22	23.3 Å²	23.3	10%	0.102	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-87	18.9	178.8	-66.3	-70.3	0	0	0	114.3	P239 N282 T283 E507 A508 S580 A581	P239-H510 VanDerWaalsContact CG-CE1 3.41Å; P239-H510 WeakPolarHBondContact CG-CE1 3.12Å; N282-H510 PolarHBondContact O-CE1 3.23Å; T283-H510 PolarHBondContact OG1-NE2 3.2Å; E507-H510 WeakPolarHBondContact O-CB 2.99Å; E507-H510 PolarHBondContact O-N 3.05Å; A508-H510 PolarHBondContact O-N 2.84Å; H510-S580 CarbonylContact O-C 3.2Å; H510-A581 VanDerWaalsContact O-CA 3.31Å; H510-A581 WeakPolarHBondContact O-CA 3.4Å; H510-A581 PolarHBondContact O-N 3.04Å
511	R	95.8	Very high	97.5	Very high	64 Å²	64	26.5 Å²	26.5	24%	0.242	12%	0.123	C	C	.	.			trans	-91.4	163.2	175.3	-66.7	179.2	179	-84.8	1.6	111.7	A508 T509 L550	A508-R511 WeakPolarHBondContact O-CB 3.27Å; A508-R511 WeakPolarHBondContact O-CG 3.08Å; A508-R511 PolarHBondContact O-N 2.76Å; A508-R511 VanDerWaalsContact O-N 3.15Å; T509-R511 VanDerWaalsContact C-N 3.28Å; T509-R511 PolarHBondContact O-N 3.2Å; R511-L550 HydrophobicContact CB-CD2 4.43Å; R511-L550 WeakPolarHBondContact O-CD2 3.37Å
512	G	97.5	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	80.4	-132.3	175.7	0	0	0	0	0	113.2	R549 M578 G582	G512-R549 WeakPolarHBondContact CA-O 3.36Å; G512-M578 WeakPolarHBondContact O-CE 3.28Å; G512-G582 PolarHBondContact O-N 2.89Å
513	I	98.6	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.5	-178.3	60.3	175.9	0	0	0	111.8	Y547 R549 L551 V558 V572 L574 G582 V584	I513-Y547 HydrophobicContact CD1-CE2 4.07Å; I513-Y547 HydrophobicContact CG1-CE2 4.09Å; I513-R549 HydrophobicContact CD1-CB 4.26Å; I513-R549 HydrophobicContact CG1-CB 3.76Å; I513-R549 PolarHBondContact N-O 2.86Å; I513-R549 PolarHBondContact O-N 3.23Å; I513-L551 HydrophobicContact CD1-CD1 4.15Å; I513-L551 HydrophobicContact CG1-CD1 4.13Å; I513-V558 HydrophobicContact CD1-CG1 3.97Å; I513-V558 HydrophobicContact CD1-CG2 3.9Å; I513-V572 HydrophobicContact CG2-CG1 3.93Å; I513-L574 HydrophobicContact CG2-CD1 4.26Å; I513-L574 HydrophobicContact CG2-CD2 3.66Å; I513-L574 HydrophobicContact CG2-CG 4.47Å; I513-G582 CarbonylContact C-O 3.58Å; I513-G582 WeakPolarHBondContact CA-O 3.26Å; I513-G582 WeakPolarHBondContact CB-O 2.97Å; I513-V584 HydrophobicContact CB-CG2 4.1Å; I513-V584 HydrophobicContact CG2-CG2 3.85Å
514	K	98.4	Very high	97.2	Very high	38 Å²	38	37 Å²	37	17%	0.165	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.3	168	67.6	-178.7	-177.5	177.1	0	111	L237 Y547 W548 A581 G582 R583 V584	L237-K514 HydrophobicContact CB-CD 4.41Å; L237-K514 WeakPolarHBondContact O-CD 3.27Å; L237-K514 PolarHBondContact O-NZ 3.13Å; K514-Y547 WeakPolarHBondContact CA-O 3.43Å; K514-Y547 VanDerWaalsContact CB-O 3.32Å; K514-Y547 WeakPolarHBondContact CB-O 3.44Å; K514-W548 HydrophobicContact CB-CG 4.11Å; K514-A581 HydrophobicContact CB-CB 4.28Å; K514-A581 HydrophobicContact CD-CB 4.04Å; K514-A581 HydrophobicContact CG-CB 3.88Å; K514-G582 PolarHBondContact N-O 3.38Å; K514-R583 CarbonylContact O-C 3.53Å; K514-R583 WeakPolarHBondContact O-CA 3.35Å; K514-V584 PolarHBondContact O-N 3.19Å
515	G	98.4	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-175.5	-175.2	0	0	0	0	0	113.3	D546 Y547 V584 D585	G515-D546 CarbonylContact O-C 3.07Å; G515-D546 WeakPolarHBondContact O-CA 3.42Å; G515-Y547 PolarHBondContact N-O 3.19Å; G515-Y547 VanDerWaalsContact N-O 3.11Å; G515-Y547 WeakPolarHBondContact O-CD1 3.43Å; G515-Y547 PolarHBondContact O-N 2.86Å; G515-V584 WeakPolarHBondContact CA-O 3.48Å; G515-D585 WeakPolarHBondContact CA-OD1 3.39Å
516	F	98.6	Very high	97	Very high	35 Å²	35	43.3 Å²	43.3	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.3	167.3	-63.1	-67	0	0	0	111.4	L236 L237 G545 D546 D585 F586	L236-F516 HydrophobicContact CB-CE1 3.99Å; L236-F516 HydrophobicContact CB-CZ 3.87Å; L236-F516 HydrophobicContact CD1-CE1 3.99Å; L236-F516 HydrophobicContact CD1-CZ 3.93Å; L236-F516 HydrophobicContact CD2-CE1 4.31Å; L236-F516 HydrophobicContact CG-CE1 4.33Å; L236-F516 HydrophobicContact CG-CZ 4.44Å; L237-F516 HydrophobicContact CD1-CE2 3.83Å; L237-F516 HydrophobicContact CD1-CZ 3.8Å; L237-F516 HydrophobicContact CD2-CD1 4.19Å; L237-F516 HydrophobicContact CD2-CD2 4.39Å; L237-F516 HydrophobicContact CD2-CE1 3.8Å; L237-F516 HydrophobicContact CD2-CE2 4Å; L237-F516 HydrophobicContact CD2-CG 4.44Å; L237-F516 HydrophobicContact CD2-CZ 3.66Å; L237-F516 HydrophobicContact CG-CE1 4.17Å; L237-F516 HydrophobicContact CG-CE2 4.08Å; L237-F516 HydrophobicContact CG-CZ 3.63Å; F516-G545 CarbonylContact C-O 3.53Å; F516-G545 WeakPolarHBondContact CA-O 3.22Å; F516-D546 HydrophobicContact CD1-CB 3.65Å; F516-D546 HydrophobicContact CE1-CB 3.64Å; F516-D585 PolarHBondContact N-OD1 2.91Å; F516-D585 CarbonylContact O-C 3.26Å; F516-D585 WeakPolarHBondContact O-CA 3.49Å; F516-F586 PolarHBondContact O-N 2.88Å
517	V	98.6	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.4	159.1	-173.2	0	0	0	0	107.5	I525 A528 V530 T541 G545 Y547 A560 F586 L588	V517-I525 HydrophobicContact CG1-CD1 4.44Å; V517-I525 PolarHBondContact O-N 2.75Å; V517-A528 HydrophobicContact CB-CB 3.92Å; V517-A528 HydrophobicContact CG1-CB 3.72Å; V517-A528 HydrophobicContact CG2-CB 4.28Å; V517-V530 HydrophobicContact CG2-CG2 3.92Å; V517-T541 HydrophobicContact CB-CG2 3.89Å; V517-T541 HydrophobicContact CG2-CG2 3.56Å; V517-G545 PolarHBondContact N-O 2.94Å; V517-Y547 HydrophobicContact CG2-CD1 4.04Å; V517-Y547 HydrophobicContact CG2-CE1 4.18Å; V517-A560 HydrophobicContact CG1-CB 4.14Å; V517-A560 HydrophobicContact CG2-CB 4.05Å; V517-F586 WeakPolarHBondContact CA-O 3.5Å; V517-F586 HydrophobicContact CG1-CB 4.24Å; V517-F586 HydrophobicContact CG2-CB 4.31Å; V517-F586 HydrophobicContact CG2-CD2 4.34Å; V517-L588 HydrophobicContact CG1-CD1 3.58Å; V517-L588 HydrophobicContact CG1-CD2 4.39Å; V517-L588 HydrophobicContact CG1-CG 3.68Å
518	N	98.1	Very high	96.7	Very high	32 Å²	32	42 Å²	42	17%	0.171	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	159.6	-176.6	-63.8	-26.4	0	0	0	111.2	K523 G524 F586 V587 L588	N518-K523 CarbonylContact C-O 3.57Å; N518-K523 VanDerWaalsContact CA-O 3.25Å; N518-K523 WeakPolarHBondContact CA-O 3.28Å; N518-G524 WeakPolarHBondContact OD1-CA 3.24Å; N518-F586 PolarHBondContact N-O 3.14Å; N518-V587 CarbonylContact O-C 3.49Å; N518-V587 VanDerWaalsContact O-CA 3.31Å; N518-V587 WeakPolarHBondContact O-CA 3.31Å; N518-L588 PolarHBondContact O-N 2.98Å
519	D	95.9	Very high	96.7	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.059	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	178.3	162.5	67.1	17.1	0	0	0	111.8	E521 G522 K523 I525 Y565	D519-E521 PolarHBondContact O-N 2.9Å; D519-E521 WeakPolarHBondContact OD1-CA 3.46Å; D519-E521 WeakPolarHBondContact OD1-CB 3.41Å; D519-E521 PolarHBondContact OD1-N 3.34Å; D519-G522 PolarHBondContact O-N 3.06Å; D519-G522 VanDerWaalsContact O-N 3.09Å; D519-G522 PolarHBondContact OD1-N 2.72Å; D519-K523 PolarHBondContact N-O 3.44Å; D519-K523 PolarHBondContact OD1-N 2.92Å; D519-I525 HydrophobicContact CB-CD1 4.18Å; D519-I525 HydrophobicContact CB-CG1 4.33Å; D519-Y565 HydrophobicContact CB-CE1 3.77Å
520	E	95.1	Very high	96.8	Very high	118 Å²	118	43.2 Å²	43.2	55%	0.551	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.2	177.9	-63.7	-176.8	118.8	0	0	113.7	G522 V587 Q589	E520-G522 VanDerWaalsContact C-N 3.32Å; E520-V587 HydrophobicContact CG-CG1 4.39Å; E520-Q589 HydrophobicContact CG-CB 4.38Å; E520-Q589 HydrophobicContact CG-CG 4.1Å; E520-Q589 VanDerWaalsContact OE1-CG 3.3Å; E520-Q589 WeakPolarHBondContact OE1-CG 3.1Å; E520-Q589 PolarHBondContact OE1-NE2 3.44Å
521	E	94.4	Very high	96.8	Very high	151 Å²	151	43.5 Å²	43.5	71%	0.706	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.3	177.9	-61.8	166	-142.7	0	0	111.5	D519 K590	D519-E521 PolarHBondContact O-N 2.9Å; D519-E521 WeakPolarHBondContact OD1-CA 3.46Å; D519-E521 WeakPolarHBondContact OD1-CB 3.41Å; D519-E521 PolarHBondContact OD1-N 3.34Å; E521-K590 IonicContact OE1-NZ 3.54Å; E521-K590 PolarHBondContact OE1-NZ 3.09Å
522	G	93.9	Very high	96.9	Very high	52 Å²	52	40.7 Å²	40.7	54%	0.536	22%	0.219	S	C	.	.	S	Bend	trans	84.3	9.3	-179.9	0	0	0	0	0	114.1	D519 E520	D519-G522 PolarHBondContact O-N 3.06Å; D519-G522 VanDerWaalsContact O-N 3.09Å; D519-G522 PolarHBondContact OD1-N 2.72Å; E520-G522 VanDerWaalsContact C-N 3.32Å
523	K	96.2	Very high	96.9	Very high	150 Å²	150	50.1 Å²	50.1	65%	0.652	26%	0.255	S	S	*	.			trans	-84.5	132.6	177.4	-176.3	-176.6	176.8	-177.4	0	110.4	N518 D519	N518-K523 CarbonylContact C-O 3.57Å; N518-K523 VanDerWaalsContact CA-O 3.25Å; N518-K523 WeakPolarHBondContact CA-O 3.28Å; D519-K523 PolarHBondContact N-O 3.44Å; D519-K523 PolarHBondContact OD1-N 2.92Å
524	G	96.9	Very high	96.7	Very high	21 Å²	21	53.9 Å²	53.9	22%	0.216	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-61.7	133.5	174.5	0	0	0	0	0	112.8	N518 N544	N518-G524 WeakPolarHBondContact OD1-CA 3.24Å; G524-N544 WeakPolarHBondContact CA-O 3.36Å
525	I	97.1	Very high	96.6	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.092	29%	0.293	C	S	.	.			trans	-96.2	108	178.6	-55.9	174.1	0	0	0	108.3	V517 D519 A528 T541 G545 A562 Y565 L588	V517-I525 HydrophobicContact CG1-CD1 4.44Å; V517-I525 PolarHBondContact O-N 2.75Å; D519-I525 HydrophobicContact CB-CD1 4.18Å; D519-I525 HydrophobicContact CB-CG1 4.33Å; I525-A528 HydrophobicContact CB-CB 4.15Å; I525-A528 HydrophobicContact CG2-CB 3.95Å; I525-T541 PolarHBondContact O-OG1 2.9Å; I525-G545 WeakPolarHBondContact O-CA 3.5Å; I525-A562 HydrophobicContact CG2-CB 3.8Å; I525-Y565 HydrophobicContact CD1-CD1 4.03Å; I525-Y565 HydrophobicContact CD1-CD2 4.2Å; I525-Y565 HydrophobicContact CD1-CE1 3.81Å; I525-Y565 HydrophobicContact CD1-CE2 4Å; I525-Y565 HydrophobicContact CD1-CG 4.24Å; I525-L588 HydrophobicContact CD1-CB 4.08Å; I525-L588 HydrophobicContact CD1-CD1 4.05Å; I525-L588 HydrophobicContact CD1-CG 4.27Å
526	K	95.1	Very high	96.3	Very high	126 Å²	126	61.8 Å²	61.8	55%	0.548	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	138	173.2	178.7	-179.6	-179.8	168.9	0	111.7	A528 A542 E543	K526-A528 PolarHBondContact O-N 2.84Å; K526-A542 WeakPolarHBondContact CA-O 3.44Å; K526-E543 WeakPolarHBondContact CD-OE1 3.3Å; K526-E543 WeakPolarHBondContact CD-OE2 3.05Å; K526-E543 WeakPolarHBondContact CE-OE2 3.21Å; K526-E543 VanDerWaalsContact NZ-CD 3.31Å; K526-E543 IonicContact NZ-OE1 3.19Å; K526-E543 PolarHBondContact NZ-OE1 2.99Å; K526-E543 IonicContact NZ-OE2 2.73Å; K526-E543 PolarHBondContact NZ-OE2 3.47Å
527	G	94.5	Very high	96.2	Very high	41 Å²	41	60.1 Å²	60.1	42%	0.423	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.3	175.6	0	0	0	0	0	114.3	T541	G527-T541 PolarHBondContact N-O 2.58Å; G527-T541 VanDerWaalsContact N-O 3.14Å; G527-T541 PolarHBondContact N-OG1 3Å
528	A	96.7	Very high	96.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.			trans	-63.3	138.7	170	0	0	0	0	0	109.5	V517 I525 K526 T540 T541 A562	V517-A528 HydrophobicContact CB-CB 3.92Å; V517-A528 HydrophobicContact CG1-CB 3.72Å; V517-A528 HydrophobicContact CG2-CB 4.28Å; I525-A528 HydrophobicContact CB-CB 4.15Å; I525-A528 HydrophobicContact CG2-CB 3.95Å; K526-A528 PolarHBondContact O-N 2.84Å; A528-T540 CarbonylContact O-C 3.45Å; A528-T540 VanDerWaalsContact O-CA 3.3Å; A528-T540 WeakPolarHBondContact O-CA 3.43Å; A528-T541 HydrophobicContact CB-CG2 3.98Å; A528-T541 PolarHBondContact N-OG1 3.47Å; A528-T541 PolarHBondContact O-N 2.71Å; A528-T541 PolarHBondContact O-OG1 2.67Å; A528-A562 HydrophobicContact CB-CB 4.01Å
529	R	97	Very high	96.1	Very high	28 Å²	28	59.9 Å²	59.9	11%	0.106	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.9	-176.1	178.4	176.4	-73	-96.5	-20	110.1	R352 D354 D538 I539 A560 S561	R352-R529 VanDerWaalsContact NE-CZ 3.34Å; R352-R529 VanDerWaalsContact NH1-CZ 3.32Å; D354-R529 IonicContact OD1-CZ 2.93Å; D354-R529 IonicContact OD1-NH1 3.65Å; D354-R529 PolarHBondContact OD1-NH1 2.85Å; D354-R529 VanDerWaalsContact OD1-NH1 3.09Å; D354-R529 IonicContact OD2-CZ 3.64Å; D354-R529 IonicContact OD2-NH1 3.01Å; D354-R529 PolarHBondContact OD2-NH1 3.08Å; D354-R529 IonicContact OD2-NH2 3.9Å; D354-R529 PolarHBondContact OD2-NH2 3.22Å; R529-D538 VanDerWaalsContact CD-OD2 3.27Å; R529-D538 WeakPolarHBondContact CD-OD2 3.45Å; R529-D538 HydrophobicContact CG-CB 3.75Å; R529-D538 IonicContact CZ-OD2 2.97Å; R529-D538 IonicContact NE-OD2 3.4Å; R529-D538 IonicContact NH1-OD2 2.8Å; R529-D538 PolarHBondContact NH1-OD2 2.85Å; R529-I539 WeakPolarHBondContact CA-O 3.18Å; R529-A560 CarbonylContact O-C 3.37Å; R529-A560 VanDerWaalsContact O-CA 3.24Å; R529-A560 WeakPolarHBondContact O-CA 3.43Å; R529-S561 PolarHBondContact N-O 3.25Å; R529-S561 PolarHBondContact O-N 3.35Å
530	V	98.3	Very high	96.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.4	171.3	-177.3	0	0	0	0	108.6	V517 I539 Y547 V558	V517-V530 HydrophobicContact CG2-CG2 3.92Å; V530-I539 HydrophobicContact CB-CD1 3.9Å; V530-I539 HydrophobicContact CB-CG1 3.89Å; V530-I539 HydrophobicContact CG1-CD1 4.42Å; V530-I539 HydrophobicContact CG2-CD1 4.46Å; V530-I539 PolarHBondContact N-O 2.84Å; V530-I539 WeakPolarHBondContact O-CG1 3.36Å; V530-I539 PolarHBondContact O-N 2.65Å; V530-Y547 HydrophobicContact CB-CD2 4.37Å; V530-Y547 HydrophobicContact CB-CE2 4.44Å; V530-Y547 HydrophobicContact CG1-CD2 4.28Å; V530-Y547 HydrophobicContact CG1-CE2 3.88Å; V530-Y547 HydrophobicContact CG2-CD1 3.95Å; V530-Y547 HydrophobicContact CG2-CD2 4.07Å; V530-Y547 HydrophobicContact CG2-CE1 4.11Å; V530-Y547 HydrophobicContact CG2-CE2 4.23Å; V530-Y547 HydrophobicContact CG2-CG 3.91Å; V530-V558 HydrophobicContact CG1-CG1 3.47Å; V530-V558 VanDerWaalsContact CG1-CG1 3.47Å
531	S	97.7	Very high	96.3	Very high	27 Å²	27	55.3 Å²	55.3	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.4	-176.1	61.2	0	0	0	0	111.5	D538 V558 T559	S531-D538 VanDerWaalsContact CA-OD1 3.3Å; S531-D538 WeakPolarHBondContact CA-OD1 3.04Å; S531-D538 WeakPolarHBondContact CB-OD1 3.27Å; S531-V558 CarbonylContact O-C 3.5Å; S531-V558 WeakPolarHBondContact O-CA 3.31Å; S531-T559 PolarHBondContact N-O 3.1Å; S531-T559 PolarHBondContact O-N 3.47Å; S531-T559 PolarHBondContact OG-O 3.2Å; S531-T559 VanDerWaalsContact OG-O 3.08Å
532	V	98.1	Very high	96.4	Very high	6 Å²	6	49 Å²	49	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.7	178.5	-177	0	0	0	0	109.7	G534 I535 R549 L551 H556 V558	V532-G534 PolarHBondContact O-N 3.19Å; V532-G534 VanDerWaalsContact O-N 3.11Å; V532-I535 HydrophobicContact CB-CB 4.35Å; V532-I535 HydrophobicContact CB-CD1 4.22Å; V532-I535 HydrophobicContact CB-CG1 4.49Å; V532-I535 HydrophobicContact CG1-CD1 3.94Å; V532-I535 HydrophobicContact CG1-CG1 4.33Å; V532-I535 PolarHBondContact O-N 2.89Å; V532-R549 HydrophobicContact CG2-CG 4.22Å; V532-L551 HydrophobicContact CG1-CD2 4.36Å; V532-L551 HydrophobicContact CG2-CD1 4.36Å; V532-L551 HydrophobicContact CG2-CD2 4.18Å; V532-H556 HydrophobicContact CG1-CB 4.2Å; V532-V558 HydrophobicContact CG2-CG2 4.36Å
533	R	97.1	Very high	96.4	Very high	198 Å²	198	52 Å²	52	75%	0.747	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	121.3	-177.2	-173.7	-178	178.2	171.4	-0.9	110.9	I557	R533-I557 HydrophobicContact CB-CB 3.94Å; R533-I557 HydrophobicContact CB-CG2 4.4Å; R533-I557 PolarHBondContact N-O 3.41Å
534	G	94.6	Very high	96.3	Very high	80 Å²	80	49.2 Å²	49.2	83%	0.825	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	-8.9	179.2	0	0	0	0	0	114.4	V532	V532-G534 PolarHBondContact O-N 3.19Å; V532-G534 VanDerWaalsContact O-N 3.11Å
535	I	95.9	Very high	96.3	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.5	173.3	-54.5	178.2	0	0	0	107.8	P416 D417 V532 H537 R549 L551	P416-I535 HydrophobicContact CB-CG2 3.94Å; D417-I535 WeakPolarHBondContact OD1-CG2 3.06Å; D417-I535 WeakPolarHBondContact OD2-CG2 3.37Å; V532-I535 HydrophobicContact CB-CB 4.35Å; V532-I535 HydrophobicContact CB-CD1 4.22Å; V532-I535 HydrophobicContact CB-CG1 4.49Å; V532-I535 HydrophobicContact CG1-CD1 3.94Å; V532-I535 HydrophobicContact CG1-CG1 4.33Å; V532-I535 PolarHBondContact O-N 2.89Å; I535-H537 VanDerWaalsContact C-N 3.25Å; I535-H537 HydrophobicContact CG2-CB 4.48Å; I535-H537 PolarHBondContact O-N 2.88Å; I535-H537 VanDerWaalsContact O-N 3.11Å; I535-R549 VanDerWaalsContact CG2-NH2 3.33Å; I535-L551 HydrophobicContact CD1-CD2 3.9Å
536	R	93.3	Very high	96.4	Very high	174 Å²	174	47.3 Å²	47.3	66%	0.657	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	65.8	179.4	-65.2	-167.9	-61.4	161.1	2.1	110.3	T353 P416	T353-R536 PolarHBondContact OG1-O 3.11Å; P416-R536 WeakPolarHBondContact CG-O 3.31Å
537	H	95.4	Very high	96.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	105.8	172.6	179.6	79.3	0	0	0	107	T353 P416 D417 Y468 I535 R549	T353-H537 PolarHBondContact O-ND1 3.43Å; P416-H537 HydrophobicContact CB-CB 3.92Å; P416-H537 HydrophobicContact CG-CB 4.06Å; D417-H537 IonicContact OD2-CD2 2.85Å; D417-H537 IonicContact OD2-CG 2.94Å; Y468-H537 AromaticContact CD2-CE1 3.99Å; Y468-H537 AromaticContact CD2-NE2 3.7Å; Y468-H537 AromaticContact CE1-ND1 3.97Å; Y468-H537 AromaticContact CE2-CD2 3.34Å; Y468-H537 WeakPolarHBondContact CE2-CD2 3.35Å; Y468-H537 AromaticContact CE2-CE1 3.74Å; Y468-H537 AromaticContact CE2-CG 3.83Å; Y468-H537 AromaticContact CE2-NE2 3.3Å; Y468-H537 VanDerWaalsContact CE2-NE2 3.3Å; Y468-H537 WeakPolarHBondContact CE2-NE2 3.39Å; Y468-H537 AromaticContact CZ-CD2 3.52Å; Y468-H537 AromaticContact CZ-CE1 3.83Å; Y468-H537 AromaticContact CZ-CG 3.49Å; Y468-H537 VanDerWaalsContact CZ-CG 3.49Å; Y468-H537 AromaticContact CZ-ND1 3.68Å; Y468-H537 AromaticContact CZ-NE2 3.76Å; Y468-H537 PolarHBondContact O-CE1 3.41Å; Y468-H537 WeakPolarHBondContact OH-CB 3.26Å; Y468-H537 PolarHBondContact OH-CD2 3.35Å; Y468-H537 VanDerWaalsContact OH-CG 3.23Å; I535-H537 VanDerWaalsContact C-N 3.25Å; I535-H537 HydrophobicContact CG2-CB 4.48Å; I535-H537 PolarHBondContact O-N 2.88Å; I535-H537 VanDerWaalsContact O-N 3.11Å; H537-R549 VanDerWaalsContact O-CZ 3.31Å; H537-R549 PolarHBondContact O-NH1 3.26Å; H537-R549 PolarHBondContact O-NH2 2.97Å
538	D	96.5	Very high	96.8	Very high	26 Å²	26	40.3 Å²	40.3	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	163.9	-176.1	-56.2	-30.4	0	0	0	110.9	D354 R529 S531	D354-D538 WeakPolarHBondContact CB-O 3.24Å; D354-D538 PolarHBondContact OD1-N 2.79Å; R529-D538 VanDerWaalsContact CD-OD2 3.27Å; R529-D538 WeakPolarHBondContact CD-OD2 3.45Å; R529-D538 HydrophobicContact CG-CB 3.75Å; R529-D538 IonicContact CZ-OD2 2.97Å; R529-D538 IonicContact NE-OD2 3.4Å; R529-D538 IonicContact NH1-OD2 2.8Å; R529-D538 PolarHBondContact NH1-OD2 2.85Å; S531-D538 VanDerWaalsContact CA-OD1 3.3Å; S531-D538 WeakPolarHBondContact CA-OD1 3.04Å; S531-D538 WeakPolarHBondContact CB-OD1 3.27Å
539	I	97.9	Very high	96.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	164.1	169.9	51.4	140.6	0	0	0	110.1	N472 R529 V530 Y547 W548 R549	N472-I539 HydrophobicContact CB-CG2 4.31Å; N472-I539 WeakPolarHBondContact OD1-CA 3.44Å; N472-I539 WeakPolarHBondContact OD1-CB 3.34Å; N472-I539 WeakPolarHBondContact OD1-CG2 3.49Å; R529-I539 WeakPolarHBondContact CA-O 3.18Å; V530-I539 HydrophobicContact CB-CD1 3.9Å; V530-I539 HydrophobicContact CB-CG1 3.89Å; V530-I539 HydrophobicContact CG1-CD1 4.42Å; V530-I539 HydrophobicContact CG2-CD1 4.46Å; V530-I539 PolarHBondContact N-O 2.84Å; V530-I539 WeakPolarHBondContact O-CG1 3.36Å; V530-I539 PolarHBondContact O-N 2.65Å; I539-Y547 HydrophobicContact CD1-CD2 3.48Å; I539-Y547 VanDerWaalsContact CD1-CD2 3.48Å; I539-Y547 HydrophobicContact CD1-CE2 4.37Å; I539-Y547 HydrophobicContact CD1-CG 4.08Å; I539-W548 WeakPolarHBondContact CD1-O 3.47Å; I539-R549 HydrophobicContact CD1-CB 3.71Å; I539-R549 HydrophobicContact CD1-CG 4.45Å; I539-R549 HydrophobicContact CG1-CB 4.21Å; I539-R549 HydrophobicContact CG1-CG 4.44Å
540	T	97.4	Very high	96.9	Very high	28 Å²	28	39.1 Å²	39.1	17%	0.172	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.7	175.9	60.6	0	0	0	0	111.7	H355 N472 A528	H355-T540 PolarHBondContact CE1-OG1 2.96Å; H355-T540 PolarHBondContact NE2-OG1 3.11Å; N472-T540 PolarHBondContact ND2-O 2.89Å; N472-T540 PolarHBondContact ND2-OG1 3.05Å; N472-T540 PolarHBondContact OD1-N 2.86Å; A528-T540 CarbonylContact O-C 3.45Å; A528-T540 VanDerWaalsContact O-CA 3.3Å; A528-T540 WeakPolarHBondContact O-CA 3.43Å
541	T	98.1	Very high	96.9	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	20%	0.202	C	C	.	.			trans	-75.3	148.6	171.2	53.5	0	0	0	0	112	V517 I525 G527 A528 G545 D546 Y547	V517-T541 HydrophobicContact CB-CG2 3.89Å; V517-T541 HydrophobicContact CG2-CG2 3.56Å; I525-T541 PolarHBondContact O-OG1 2.9Å; G527-T541 PolarHBondContact N-O 2.58Å; G527-T541 VanDerWaalsContact N-O 3.14Å; G527-T541 PolarHBondContact N-OG1 3Å; A528-T541 HydrophobicContact CB-CG2 3.98Å; A528-T541 PolarHBondContact N-OG1 3.47Å; A528-T541 PolarHBondContact O-N 2.71Å; A528-T541 PolarHBondContact O-OG1 2.67Å; T541-G545 WeakPolarHBondContact CG2-O 3.24Å; T541-D546 CarbonylContact C-O 3.21Å; T541-D546 WeakPolarHBondContact CA-O 3.36Å; T541-D546 WeakPolarHBondContact CB-O 3.07Å; T541-Y547 HydrophobicContact CG2-CD1 4.24Å; T541-Y547 HydrophobicContact CG2-CG 4.48Å
542	A	96.3	Very high	96.9	Very high	18 Å²	18	39.5 Å²	39.5	15%	0.149	20%	0.202	C	C	.	.			trans	-73	-172.8	173.1	0	0	0	0	0	112	P382 K526 N544 G545 D546	P382-A542 HydrophobicContact CB-CB 4.01Å; P382-A542 HydrophobicContact CG-CB 4.21Å; K526-A542 WeakPolarHBondContact CA-O 3.44Å; A542-N544 PolarHBondContact O-N 3.36Å; A542-N544 VanDerWaalsContact O-N 3.13Å; A542-G545 PolarHBondContact O-N 3.04Å; A542-D546 PolarHBondContact N-O 3.48Å
543	E	93.4	Very high	96.7	Very high	115 Å²	115	41.5 Å²	41.5	54%	0.537	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-39.3	-172.7	-165.6	66.2	-146	0	0	113.3	K526	K526-E543 WeakPolarHBondContact CD-OE1 3.3Å; K526-E543 WeakPolarHBondContact CD-OE2 3.05Å; K526-E543 WeakPolarHBondContact CE-OE2 3.21Å; K526-E543 VanDerWaalsContact NZ-CD 3.31Å; K526-E543 IonicContact NZ-OE1 3.19Å; K526-E543 PolarHBondContact NZ-OE1 2.99Å; K526-E543 IonicContact NZ-OE2 2.73Å; K526-E543 PolarHBondContact NZ-OE2 3.47Å
544	N	95.3	Very high	96.7	Very high	91 Å²	91	33.3 Å²	33.3	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	19.2	-175.3	-64.7	-51.9	0	0	0	112.9	L236 G524 A542 D546	L236-N544 HydrophobicContact CD2-CB 3.43Å; L236-N544 VanDerWaalsContact CD2-CB 3.43Å; G524-N544 WeakPolarHBondContact CA-O 3.36Å; A542-N544 PolarHBondContact O-N 3.36Å; A542-N544 VanDerWaalsContact O-N 3.13Å; N544-D546 VanDerWaalsContact C-N 3.31Å; N544-D546 PolarHBondContact O-N 3.49Å
545	G	97.4	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	80.8	2.5	173.7	0	0	0	0	0	115.1	F516 V517 I525 T541 A542	F516-G545 CarbonylContact C-O 3.53Å; F516-G545 WeakPolarHBondContact CA-O 3.22Å; V517-G545 PolarHBondContact N-O 2.94Å; I525-G545 WeakPolarHBondContact O-CA 3.5Å; T541-G545 WeakPolarHBondContact CG2-O 3.24Å; A542-G545 PolarHBondContact O-N 3.04Å
546	D	98.3	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	154.7	172.5	52.6	-26	0	0	0	113.5	H234 L236 L237 G515 F516 T541 A542 N544 W548	H234-D546 IonicContact NE2-OD2 3.48Å; H234-D546 PolarHBondContact NE2-OD2 3.4Å; L236-D546 WeakPolarHBondContact CA-OD2 3.47Å; L237-D546 HydrophobicContact CD2-CB 3.76Å; L237-D546 PolarHBondContact N-OD2 2.97Å; G515-D546 CarbonylContact O-C 3.07Å; G515-D546 WeakPolarHBondContact O-CA 3.42Å; F516-D546 HydrophobicContact CD1-CB 3.65Å; F516-D546 HydrophobicContact CE1-CB 3.64Å; T541-D546 CarbonylContact C-O 3.21Å; T541-D546 WeakPolarHBondContact CA-O 3.36Å; T541-D546 WeakPolarHBondContact CB-O 3.07Å; A542-D546 PolarHBondContact N-O 3.48Å; N544-D546 VanDerWaalsContact C-N 3.31Å; N544-D546 PolarHBondContact O-N 3.49Å; D546-W548 HydrophobicContact CB-CH2 4.29Å; D546-W548 WeakPolarHBondContact OD2-CH2 3.22Å
547	Y	98.7	Very high	97.2	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.2	-179	75.7	-89.4	0	0	0	112.2	I513 K514 G515 V517 V530 I539 T541 R549 V584 F586	I513-Y547 HydrophobicContact CD1-CE2 4.07Å; I513-Y547 HydrophobicContact CG1-CE2 4.09Å; K514-Y547 WeakPolarHBondContact CA-O 3.43Å; K514-Y547 VanDerWaalsContact CB-O 3.32Å; K514-Y547 WeakPolarHBondContact CB-O 3.44Å; G515-Y547 PolarHBondContact N-O 3.19Å; G515-Y547 VanDerWaalsContact N-O 3.11Å; G515-Y547 WeakPolarHBondContact O-CD1 3.43Å; G515-Y547 PolarHBondContact O-N 2.86Å; V517-Y547 HydrophobicContact CG2-CD1 4.04Å; V517-Y547 HydrophobicContact CG2-CE1 4.18Å; V530-Y547 HydrophobicContact CB-CD2 4.37Å; V530-Y547 HydrophobicContact CB-CE2 4.44Å; V530-Y547 HydrophobicContact CG1-CD2 4.28Å; V530-Y547 HydrophobicContact CG1-CE2 3.88Å; V530-Y547 HydrophobicContact CG2-CD1 3.95Å; V530-Y547 HydrophobicContact CG2-CD2 4.07Å; V530-Y547 HydrophobicContact CG2-CE1 4.11Å; V530-Y547 HydrophobicContact CG2-CE2 4.23Å; V530-Y547 HydrophobicContact CG2-CG 3.91Å; I539-Y547 HydrophobicContact CD1-CD2 3.48Å; I539-Y547 VanDerWaalsContact CD1-CD2 3.48Å; I539-Y547 HydrophobicContact CD1-CE2 4.37Å; I539-Y547 HydrophobicContact CD1-CG 4.08Å; T541-Y547 HydrophobicContact CG2-CD1 4.24Å; T541-Y547 HydrophobicContact CG2-CG 4.48Å; Y547-R549 HydrophobicContact CE2-CB 4.46Å; Y547-V584 PolarHBondContact OH-O 2.89Å; Y547-F586 HydrophobicContact CE1-CD2 4.23Å; Y547-F586 HydrophobicContact CE1-CE2 4.42Å; Y547-F586 WeakPolarHBondContact OH-CE2 3.27Å
548	W	98.7	Very high	97.3	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.4	172.1	-54.1	-101.7	0	0	0	109.8	H234 L237 E238 P239 P382 V384 K514 I539 D546	H234-W548 AromaticContact CE1-CH2 3.41Å; H234-W548 VanDerWaalsContact CE1-CH2 3.41Å; H234-W548 WeakPolarHBondContact CE1-CH2 3.3Å; H234-W548 AromaticContact CE1-CZ2 3.93Å; H234-W548 AromaticContact NE2-CH2 3.61Å; L237-W548 PolarHBondContact O-NE1 2.97Å; L237-W548 VanDerWaalsContact O-NE1 3.14Å; E238-W548 WeakPolarHBondContact O-CZ2 3.34Å; P239-W548 HydrophobicContact CB-CD2 4.44Å; P239-W548 HydrophobicContact CB-CG 4.19Å; P382-W548 HydrophobicContact CB-CZ3 4.27Å; P382-W548 HydrophobicContact CG-CZ3 4.43Å; V384-W548 HydrophobicContact CB-CB 4.38Å; V384-W548 HydrophobicContact CG1-CB 3.77Å; V384-W548 HydrophobicContact CG2-CB 3.63Å; V384-W548 HydrophobicContact CG2-CD2 3.76Å; V384-W548 HydrophobicContact CG2-CE3 3.8Å; V384-W548 HydrophobicContact CG2-CG 3.69Å; K514-W548 HydrophobicContact CB-CG 4.11Å; I539-W548 WeakPolarHBondContact CD1-O 3.47Å; D546-W548 HydrophobicContact CB-CH2 4.29Å; D546-W548 WeakPolarHBondContact OD2-CH2 3.22Å
549	R	98.5	Very high	97.4	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105.9	176.5	-177.7	51.1	-174.9	-140.7	2.5	110.6	D417 G512 I513 V532 I535 H537 I539 Y547 L551	D417-R549 IonicContact OD1-CZ 3.72Å; D417-R549 IonicContact OD1-NH2 3.32Å; D417-R549 PolarHBondContact OD1-NH2 3.37Å; D417-R549 IonicContact OD2-CZ 3.89Å; D417-R549 IonicContact OD2-NH2 3.07Å; D417-R549 PolarHBondContact OD2-NH2 3.29Å; G512-R549 WeakPolarHBondContact CA-O 3.36Å; I513-R549 HydrophobicContact CD1-CB 4.26Å; I513-R549 HydrophobicContact CG1-CB 3.76Å; I513-R549 PolarHBondContact N-O 2.86Å; I513-R549 PolarHBondContact O-N 3.23Å; V532-R549 HydrophobicContact CG2-CG 4.22Å; I535-R549 VanDerWaalsContact CG2-NH2 3.33Å; H537-R549 VanDerWaalsContact O-CZ 3.31Å; H537-R549 PolarHBondContact O-NH1 3.26Å; H537-R549 PolarHBondContact O-NH2 2.97Å; I539-R549 HydrophobicContact CD1-CB 3.71Å; I539-R549 HydrophobicContact CD1-CG 4.45Å; I539-R549 HydrophobicContact CG1-CB 4.21Å; I539-R549 HydrophobicContact CG1-CG 4.44Å; Y547-R549 HydrophobicContact CE2-CB 4.46Å; R549-L551 HydrophobicContact CG-CD1 4.23Å; R549-L551 HydrophobicContact CG-CD2 4.13Å; R549-L551 HydrophobicContact CG-CG 3.97Å; R549-L551 PolarHBondContact O-N 2.93Å
550	L	98.4	Very high	97.5	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	16%	0.159	C	C	.	.			trans	-63.1	128.4	172.5	-60.3	178.9	0	0	0	110	V384 L385 V420 L424 F474 R511	V384-L550 HydrophobicContact CG1-CD1 4.34Å; V384-L550 HydrophobicContact CG1-CD2 4.12Å; V384-L550 HydrophobicContact CG1-CG 4.05Å; L385-L550 HydrophobicContact CB-CD1 4.45Å; L385-L550 HydrophobicContact CD1-CD1 4.06Å; V420-L550 HydrophobicContact CG1-CB 3.85Å; L424-L550 HydrophobicContact CD1-CD1 4.06Å; L424-L550 HydrophobicContact CD2-CD1 4.49Å; F474-L550 HydrophobicContact CB-CD1 3.99Å; F474-L550 HydrophobicContact CD1-CD1 4.23Å; F474-L550 HydrophobicContact CD2-CD1 4.41Å; F474-L550 HydrophobicContact CG-CD1 3.97Å; R511-L550 HydrophobicContact CB-CD2 4.43Å; R511-L550 WeakPolarHBondContact O-CD2 3.37Å
551	L	98.1	Very high	97.4	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	16%	0.163	C	C	.	.			trans	-144.7	152.3	-178.9	-67.2	172.5	0	0	0	110.1	I513 V532 I535 R549 H556 L574	I513-L551 HydrophobicContact CD1-CD1 4.15Å; I513-L551 HydrophobicContact CG1-CD1 4.13Å; V532-L551 HydrophobicContact CG1-CD2 4.36Å; V532-L551 HydrophobicContact CG2-CD1 4.36Å; V532-L551 HydrophobicContact CG2-CD2 4.18Å; I535-L551 HydrophobicContact CD1-CD2 3.9Å; R549-L551 HydrophobicContact CG-CD1 4.23Å; R549-L551 HydrophobicContact CG-CD2 4.13Å; R549-L551 HydrophobicContact CG-CG 3.97Å; R549-L551 PolarHBondContact O-N 2.93Å; L551-H556 HydrophobicContact CD1-CB 4.35Å; L551-L574 HydrophobicContact CB-CD1 3.65Å; L551-L574 HydrophobicContact CD1-CD1 4.14Å
552	T	96.3	Very high	97.2	Very high	32 Å²	32	29.1 Å²	29.1	20%	0.196	17%	0.166	C	C	.	.			trans	-76.3	156.5	170	50.4	0	0	0	0	111	K419 V420 L423 H556	K419-T552 HydrophobicContact CB-CG2 4Å; V420-T552 HydrophobicContact CG2-CG2 4.12Å; L423-T552 HydrophobicContact CB-CG2 4.5Å; L423-T552 HydrophobicContact CD2-CG2 4.15Å; T552-H556 PolarHBondContact O-NE2 3.24Å
553	P	95.9	Very high	96.8	Very high	48 Å²	48	31.8 Å²	31.8	31%	0.312	18%	0.181	S	C	.	.	S	Bend	trans	-52.5	142.9	170.7	-29.3	37.3	0	0	0	112.8	P575 T576	P553-P575 WeakPolarHBondContact CB-O 3.31Å; P553-P575 WeakPolarHBondContact CG-O 3.49Å; P553-T576 HydrophobicContact CB-CG2 4.35Å
554	G	96.1	Very high	96.6	Very high	26 Å²	26	27.6 Å²	27.6	27%	0.268	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-166.2	-178.9	0	0	0	0	0	113.9	L574	G554-L574 PolarHBondContact N-O 3.04Å; G554-L574 PolarHBondContact O-N 3.27Å
555	I	97.4	Very high	96.5	Very high	103 Å²	103	25.8 Å²	25.8	53%	0.528	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.9	-179.6	-62.6	173.2	0	0	0	108.9	K571 V572	I555-K571 HydrophobicContact CG2-CD 4.31Å; I555-K571 HydrophobicContact CG2-CG 3.97Å; I555-V572 WeakPolarHBondContact CA-O 3.42Å
556	H	98.1	Very high	96.3	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.111	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.3	179.8	-61.1	-74.3	0	0	0	110.5	V532 L551 T552 V558 K571 V572	V532-H556 HydrophobicContact CG1-CB 4.2Å; L551-H556 HydrophobicContact CD1-CB 4.35Å; T552-H556 PolarHBondContact O-NE2 3.24Å; H556-V558 HydrophobicContact CB-CG2 4.15Å; H556-K571 WeakPolarHBondContact O-CA 3.46Å; H556-V572 PolarHBondContact N-O 3.1Å; H556-V572 PolarHBondContact O-N 3.21Å
557	I	98.5	Very high	96.2	Very high	59 Å²	59	35.5 Å²	35.5	30%	0.303	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.7	170.1	-60.9	175.9	0	0	0	106.4	R533 T569	R533-I557 HydrophobicContact CB-CB 3.94Å; R533-I557 HydrophobicContact CB-CG2 4.4Å; R533-I557 PolarHBondContact N-O 3.41Å; I557-T569 HydrophobicContact CG2-CG2 3.44Å; I557-T569 VanDerWaalsContact CG2-CG2 3.44Å
558	V	98.7	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.4	-171.2	-172.4	0	0	0	0	108.5	I513 V530 S531 V532 H556 T569 K570 V572 F586	I513-V558 HydrophobicContact CD1-CG1 3.97Å; I513-V558 HydrophobicContact CD1-CG2 3.9Å; V530-V558 HydrophobicContact CG1-CG1 3.47Å; V530-V558 VanDerWaalsContact CG1-CG1 3.47Å; S531-V558 CarbonylContact O-C 3.5Å; S531-V558 WeakPolarHBondContact O-CA 3.31Å; V532-V558 HydrophobicContact CG2-CG2 4.36Å; H556-V558 HydrophobicContact CB-CG2 4.15Å; V558-T569 CarbonylContact O-C 3.56Å; V558-T569 WeakPolarHBondContact O-CA 3.33Å; V558-K570 PolarHBondContact N-O 2.91Å; V558-K570 PolarHBondContact O-N 3.19Å; V558-V572 HydrophobicContact CG2-CB 4.49Å; V558-V572 HydrophobicContact CG2-CG2 3.94Å; V558-F586 HydrophobicContact CB-CZ 4.07Å; V558-F586 HydrophobicContact CG1-CE2 4.11Å; V558-F586 HydrophobicContact CG1-CZ 3.74Å
559	T	98.5	Very high	96.1	Very high	22 Å²	22	39.7 Å²	39.7	14%	0.135	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.3	179.5	-56.7	0	0	0	0	110.3	S531 R567 A568 T569	S531-T559 PolarHBondContact N-O 3.1Å; S531-T559 PolarHBondContact O-N 3.47Å; S531-T559 PolarHBondContact OG-O 3.2Å; S531-T559 VanDerWaalsContact OG-O 3.08Å; T559-R567 HydrophobicContact CG2-CB 4.03Å; T559-R567 HydrophobicContact CG2-CG 4.44Å; T559-A568 CarbonylContact C-O 3.51Å; T559-A568 VanDerWaalsContact CA-O 3.26Å; T559-A568 WeakPolarHBondContact CA-O 3.48Å; T559-T569 WeakPolarHBondContact CG2-OG1 3.21Å; T559-T569 WeakPolarHBondContact OG1-CG2 3.42Å; T559-T569 PolarHBondContact OG1-OG1 2.73Å
560	A	98.3	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.1	169.6	0	0	0	0	0	110.5	V517 R529 R567 A568 F586 L588	V517-A560 HydrophobicContact CG1-CB 4.14Å; V517-A560 HydrophobicContact CG2-CB 4.05Å; R529-A560 CarbonylContact O-C 3.37Å; R529-A560 VanDerWaalsContact O-CA 3.24Å; R529-A560 WeakPolarHBondContact O-CA 3.43Å; A560-R567 WeakPolarHBondContact O-CA 3.45Å; A560-A568 PolarHBondContact N-O 2.8Å; A560-A568 PolarHBondContact O-N 3.28Å; A560-F586 HydrophobicContact CB-CB 3.66Å; A560-F586 HydrophobicContact CB-CD1 3.59Å; A560-F586 HydrophobicContact CB-CD2 3.67Å; A560-F586 HydrophobicContact CB-CE1 4.09Å; A560-F586 HydrophobicContact CB-CE2 4.15Å; A560-F586 HydrophobicContact CB-CG 3.35Å; A560-F586 HydrophobicContact CB-CZ 4.35Å; A560-L588 HydrophobicContact CB-CD2 4.06Å
561	S	95.8	Very high	96.1	Very high	36 Å²	36	51.9 Å²	51.9	25%	0.252	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.5	178.8	56.6	0	0	0	0	111.2	R529	R529-S561 PolarHBondContact N-O 3.25Å; R529-S561 PolarHBondContact O-N 3.35Å
562	A	93.8	Very high	96	Very high	11 Å²	11	52.5 Å²	52.5	9%	0.091	29%	0.289	C	S	.	.			trans	-145.7	152.2	174.7	0	0	0	0	0	110.2	I525 A528 G564 Y565 L588	I525-A562 HydrophobicContact CG2-CB 3.8Å; A528-A562 HydrophobicContact CB-CB 4.01Å; A562-G564 PolarHBondContact O-N 2.94Å; A562-Y565 HydrophobicContact CB-CD2 3.86Å; A562-Y565 HydrophobicContact CB-CG 4.49Å; A562-Y565 PolarHBondContact O-N 3.14Å; A562-Y565 VanDerWaalsContact O-N 3.08Å; A562-L588 HydrophobicContact CB-CD1 3.89Å
563	P	89.2	Confident	96.1	Very high	74 Å²	74	57.6 Å²	57.6	48%	0.481	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130.6	176.1	-23	31.6	0	0	0	111.8	Y565 E601	P563-Y565 VanDerWaalsContact C-N 3.34Å; P563-Y565 VanDerWaalsContact O-CD2 3.24Å; P563-Y565 WeakPolarHBondContact O-CD2 3.32Å; P563-E601 WeakPolarHBondContact CG-OE2 3.41Å
564	G	89.6	Confident	96.1	Very high	28 Å²	28	55.5 Å²	55.5	29%	0.289	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	8.1	-177.6	0	0	0	0	0	115.3	A562 A591	A562-G564 PolarHBondContact O-N 2.94Å; G564-A591 CarbonylContact C-O 3.51Å; G564-A591 PolarHBondContact O-N 3.08Å; G564-A591 VanDerWaalsContact O-N 3.09Å
565	Y	92.9	Very high	96	Very high	52 Å²	52	57.3 Å²	57.3	20%	0.204	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-127.7	148.3	178.4	-62.3	-95.6	0	0	0	112.9	D519 I525 A562 P563 L588 Q589 K590	D519-Y565 HydrophobicContact CB-CE1 3.77Å; I525-Y565 HydrophobicContact CD1-CD1 4.03Å; I525-Y565 HydrophobicContact CD1-CD2 4.2Å; I525-Y565 HydrophobicContact CD1-CE1 3.81Å; I525-Y565 HydrophobicContact CD1-CE2 4Å; I525-Y565 HydrophobicContact CD1-CG 4.24Å; A562-Y565 HydrophobicContact CB-CD2 3.86Å; A562-Y565 HydrophobicContact CB-CG 4.49Å; A562-Y565 PolarHBondContact O-N 3.14Å; A562-Y565 VanDerWaalsContact O-N 3.08Å; P563-Y565 VanDerWaalsContact C-N 3.34Å; P563-Y565 VanDerWaalsContact O-CD2 3.24Å; P563-Y565 WeakPolarHBondContact O-CD2 3.32Å; Y565-L588 HydrophobicContact CD1-CB 3.81Å; Y565-L588 HydrophobicContact CG-CB 4.02Å; Y565-Q589 CarbonylContact C-O 3.48Å; Y565-Q589 VanDerWaalsContact CA-O 3.28Å; Y565-Q589 WeakPolarHBondContact CA-O 3.18Å; Y565-K590 HydrophobicContact CD1-CG 4.19Å; Y565-K590 HydrophobicContact CE1-CG 3.78Å
566	A	92.6	Very high	95.6	Very high	41 Å²	41	58.1 Å²	58.1	34%	0.339	31%	0.313	S	S	.	.			trans	-69.7	136.3	168.3	0	0	0	0	0	110.7	Q589 A591	A566-Q589 PolarHBondContact N-O 3.12Å; A566-A591 HydrophobicContact CB-CB 3.92Å
567	R	95.1	Very high	95	Very high	164 Å²	164	67.7 Å²	67.7	62%	0.619	35%	0.348	S	S	*	.			trans	-66.9	144.3	177.5	70.5	-176.2	78.9	-166.6	4.1	111.8	T559 A560	T559-R567 HydrophobicContact CG2-CB 4.03Å; T559-R567 HydrophobicContact CG2-CG 4.44Å; A560-R567 WeakPolarHBondContact O-CA 3.45Å
568	A	97.4	Very high	94.5	Very high	26 Å²	26	66.2 Å²	66.2	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.3	175.5	0	0	0	0	0	110.8	T559 A560 F586 L588	T559-A568 CarbonylContact C-O 3.51Å; T559-A568 VanDerWaalsContact CA-O 3.26Å; T559-A568 WeakPolarHBondContact CA-O 3.48Å; A560-A568 PolarHBondContact N-O 2.8Å; A560-A568 PolarHBondContact O-N 3.28Å; A568-F586 HydrophobicContact CB-CD1 3.99Å; A568-F586 WeakPolarHBondContact O-CE1 3.07Å; A568-L588 HydrophobicContact CB-CD2 3.62Å
569	T	98.3	Very high	93.6	Very high	81 Å²	81	75.6 Å²	75.6	50%	0.497	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136	-176.2	-58.8	0	0	0	0	111.5	I557 V558 T559	I557-T569 HydrophobicContact CG2-CG2 3.44Å; I557-T569 VanDerWaalsContact CG2-CG2 3.44Å; V558-T569 CarbonylContact O-C 3.56Å; V558-T569 WeakPolarHBondContact O-CA 3.33Å; T559-T569 WeakPolarHBondContact CG2-OG1 3.21Å; T559-T569 WeakPolarHBondContact OG1-CG2 3.42Å; T559-T569 PolarHBondContact OG1-OG1 2.73Å
570	K	98.4	Very high	93.2	Very high	99 Å²	99	78.2 Å²	78.2	43%	0.43	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.2	176.6	-68.2	-173.9	175.8	-168.8	0	111.4	V558 V584 D585 F586	V558-K570 PolarHBondContact N-O 2.91Å; V558-K570 PolarHBondContact O-N 3.19Å; K570-V584 HydrophobicContact CD-CG1 4.11Å; K570-D585 VanDerWaalsContact CE-O 3.3Å; K570-D585 WeakPolarHBondContact CE-O 3.43Å; K570-D585 PolarHBondContact NZ-O 3.37Å; K570-F586 HydrophobicContact CB-CE1 4.04Å; K570-F586 HydrophobicContact CB-CZ 4.28Å; K570-F586 HydrophobicContact CD-CD1 4.28Å; K570-F586 HydrophobicContact CD-CE1 3.98Å; K570-F586 HydrophobicContact CD-CZ 4.39Å; K570-F586 HydrophobicContact CG-CD1 4.34Å; K570-F586 HydrophobicContact CG-CE1 3.76Å; K570-F586 HydrophobicContact CG-CZ 4.38Å
571	K	98.3	Very high	93.1	Very high	160 Å²	160	78.7 Å²	78.7	70%	0.696	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.2	169.4	-174.8	-177.9	-179.3	-176.6	0	108.5	I555 H556	I555-K571 HydrophobicContact CG2-CD 4.31Å; I555-K571 HydrophobicContact CG2-CG 3.97Å; H556-K571 WeakPolarHBondContact O-CA 3.46Å
572	V	97.5	Very high	93	Very high	17 Å²	17	78 Å²	78	10%	0.103	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.9	-176	-174.9	0	0	0	0	109.5	I513 I555 H556 V558 L574 V584	I513-V572 HydrophobicContact CG2-CG1 3.93Å; I555-V572 WeakPolarHBondContact CA-O 3.42Å; H556-V572 PolarHBondContact N-O 3.1Å; H556-V572 PolarHBondContact O-N 3.21Å; V558-V572 HydrophobicContact CG2-CB 4.49Å; V558-V572 HydrophobicContact CG2-CG2 3.94Å; V572-L574 HydrophobicContact CG1-CD2 3.79Å; V572-L574 HydrophobicContact CG1-CG 4.33Å; V572-V584 HydrophobicContact CG1-CG2 3.96Å; V572-V584 HydrophobicContact CG2-CG1 4.02Å; V572-V584 HydrophobicContact CG2-CG2 3.79Å
573	H	96.9	Very high	93.2	Very high	138 Å²	138	82.6 Å²	82.6	64%	0.639	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.3	174.7	-177.9	63.6	0	0	0	109.9
574	L	96.2	Very high	93.6	Very high	4 Å²	4	79.6 Å²	79.6	2%	0.021	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.3	-179.7	-58.7	-177	0	0	0	110.4	I513 L551 G554 V572 M578	I513-L574 HydrophobicContact CG2-CD1 4.26Å; I513-L574 HydrophobicContact CG2-CD2 3.66Å; I513-L574 HydrophobicContact CG2-CG 4.47Å; L551-L574 HydrophobicContact CB-CD1 3.65Å; L551-L574 HydrophobicContact CD1-CD1 4.14Å; G554-L574 PolarHBondContact N-O 3.04Å; G554-L574 PolarHBondContact O-N 3.27Å; V572-L574 HydrophobicContact CG1-CD2 3.79Å; V572-L574 HydrophobicContact CG1-CG 4.33Å; L574-M578 HydrophobicContact CB-SD 4.12Å; L574-M578 HydrophobicContact CD1-SD 4.48Å; L574-M578 HydrophobicContact CD2-CE 4.17Å
575	P	94.3	Very high	94.1	Very high	65 Å²	65	80.9 Å²	80.9	42%	0.422	40%	0.402	S	S	.	.			trans	-71.1	161.3	-179.5	30.5	-34	0	0	0	111.6	P553 R577 M578	P553-P575 WeakPolarHBondContact CB-O 3.31Å; P553-P575 WeakPolarHBondContact CG-O 3.49Å; P575-R577 VanDerWaalsContact C-N 3.34Å; P575-R577 PolarHBondContact O-N 3.29Å; P575-M578 HydrophobicContact CG-CG 3.93Å; P575-M578 WeakPolarHBondContact O-CG 3.37Å
576	T	88.6	Confident	94.3	Very high	119 Å²	119	78.4 Å²	78.4	73%	0.73	39%	0.392	S	S	*	.	S	Bend	trans	-66.6	-33.8	179.1	46.8	0	0	0	0	113.4	P553	P553-T576 HydrophobicContact CB-CG2 4.35Å
577	R	86.8	Confident	94.6	Very high	226 Å²	226	80.6 Å²	80.6	85%	0.853	40%	0.401	S	S	*	.	S	Bend	trans	-111.2	112.8	173	-64.1	-176.7	-177.2	-179.1	-0.4	108.3	P575	P575-R577 VanDerWaalsContact C-N 3.34Å; P575-R577 PolarHBondContact O-N 3.29Å
578	M	87.1	Confident	94.7	Very high	28 Å²	28	72.8 Å²	72.8	14%	0.138	37%	0.372	C	S	.	.			trans	-110.6	125.4	176.9	-64.3	-172	67.2	0	0	108.3	G512 L574 P575 S580	G512-M578 WeakPolarHBondContact O-CE 3.28Å; L574-M578 HydrophobicContact CB-SD 4.12Å; L574-M578 HydrophobicContact CD1-SD 4.48Å; L574-M578 HydrophobicContact CD2-CE 4.17Å; P575-M578 HydrophobicContact CG-CG 3.93Å; P575-M578 WeakPolarHBondContact O-CG 3.37Å; M578-S580 WeakPolarHBondContact CE-O 3.44Å
579	Q	80.1	Confident	94.5	Very high	197 Å²	197	77 Å²	77	92%	0.921	39%	0.387	S	S	*	.	S	Bend	trans	-92.9	-22.5	169.1	-69.8	179.7	-22.2	0	0	111.6
580	S	90.9	Very high	94.2	Very high	77 Å²	77	79.1 Å²	79.1	54%	0.538	39%	0.389	S	S	.	.	S	Bend	trans	-149.4	161.7	176.4	64.9	0	0	0	0	110.9	H510 M578	H510-S580 CarbonylContact O-C 3.2Å; M578-S580 WeakPolarHBondContact CE-O 3.44Å
581	A	94.3	Very high	93.6	Very high	9 Å²	9	76 Å²	76	7%	0.074	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-70.2	137.4	-179.8	0	0	0	0	0	110.3	H510 K514 R583	H510-A581 VanDerWaalsContact O-CA 3.31Å; H510-A581 WeakPolarHBondContact O-CA 3.4Å; H510-A581 PolarHBondContact O-N 3.04Å; K514-A581 HydrophobicContact CB-CB 4.28Å; K514-A581 HydrophobicContact CD-CB 4.04Å; K514-A581 HydrophobicContact CG-CB 3.88Å; A581-R583 PolarHBondContact O-N 3.32Å
582	G	95.6	Very high	92.4	Very high	23 Å²	23	74.2 Å²	74.2	24%	0.237	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130.3	179.7	0	0	0	0	0	111.7	G512 I513 K514 V584	G512-G582 PolarHBondContact O-N 2.89Å; I513-G582 CarbonylContact C-O 3.58Å; I513-G582 WeakPolarHBondContact CA-O 3.26Å; I513-G582 WeakPolarHBondContact CB-O 2.97Å; K514-G582 PolarHBondContact N-O 3.38Å; G582-V584 PolarHBondContact O-N 3.08Å
583	R	97.3	Very high	90.8	Very high	107 Å²	107	77.9 Å²	77.9	40%	0.404	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.7	179.5	-178.6	59.5	175.3	-169.1	-1.9	111.8	L237 K514 A581 D585	L237-R583 VanDerWaalsContact CG-NH1 3.31Å; K514-R583 CarbonylContact O-C 3.53Å; K514-R583 WeakPolarHBondContact O-CA 3.35Å; A581-R583 PolarHBondContact O-N 3.32Å; R583-D585 IonicContact CZ-OD1 2.71Å; R583-D585 IonicContact CZ-OD2 3.08Å; R583-D585 VanDerWaalsContact CZ-OD2 3.32Å; R583-D585 VanDerWaalsContact NE-CG 3.25Å; R583-D585 IonicContact NE-OD1 3.85Å; R583-D585 PolarHBondContact NE-OD1 3.27Å; R583-D585 IonicContact NE-OD2 3.8Å; R583-D585 PolarHBondContact NE-OD2 2.97Å; R583-D585 IonicContact NH1-OD1 3.58Å; R583-D585 IonicContact NH2-OD1 2.9Å; R583-D585 PolarHBondContact NH2-OD1 3.07Å; R583-D585 IonicContact NH2-OD2 3.88Å; R583-D585 PolarHBondContact NH2-OD2 3Å; R583-D585 VanDerWaalsContact NH2-OD2 3.07Å
584	V	98.3	Very high	89	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.067	39%	0.392	C	S	.	.			trans	-138.4	98.9	179.8	-174.4	0	0	0	0	110.8	I513 K514 G515 Y547 K570 V572 G582 F586	I513-V584 HydrophobicContact CB-CG2 4.1Å; I513-V584 HydrophobicContact CG2-CG2 3.85Å; K514-V584 PolarHBondContact O-N 3.19Å; G515-V584 WeakPolarHBondContact CA-O 3.48Å; Y547-V584 PolarHBondContact OH-O 2.89Å; K570-V584 HydrophobicContact CD-CG1 4.11Å; V572-V584 HydrophobicContact CG1-CG2 3.96Å; V572-V584 HydrophobicContact CG2-CG1 4.02Å; V572-V584 HydrophobicContact CG2-CG2 3.79Å; G582-V584 PolarHBondContact O-N 3.08Å; V584-F586 HydrophobicContact CG1-CD2 4.5Å; V584-F586 HydrophobicContact CG1-CE2 3.74Å; V584-F586 HydrophobicContact CG1-CZ 3.92Å
585	D	98.4	Very high	87	Confident	54 Å²	54	78.6 Å²	78.6	29%	0.289	42%	0.418	S	S	.	.			trans	-94.1	148.4	178.5	-61.7	-34.8	0	0	0	111.8	G515 F516 K570 R583	G515-D585 WeakPolarHBondContact CA-OD1 3.39Å; F516-D585 PolarHBondContact N-OD1 2.91Å; F516-D585 CarbonylContact O-C 3.26Å; F516-D585 WeakPolarHBondContact O-CA 3.49Å; K570-D585 VanDerWaalsContact CE-O 3.3Å; K570-D585 WeakPolarHBondContact CE-O 3.43Å; K570-D585 PolarHBondContact NZ-O 3.37Å; R583-D585 IonicContact CZ-OD1 2.71Å; R583-D585 IonicContact CZ-OD2 3.08Å; R583-D585 VanDerWaalsContact CZ-OD2 3.32Å; R583-D585 VanDerWaalsContact NE-CG 3.25Å; R583-D585 IonicContact NE-OD1 3.85Å; R583-D585 PolarHBondContact NE-OD1 3.27Å; R583-D585 IonicContact NE-OD2 3.8Å; R583-D585 PolarHBondContact NE-OD2 2.97Å; R583-D585 IonicContact NH1-OD1 3.58Å; R583-D585 IonicContact NH2-OD1 2.9Å; R583-D585 PolarHBondContact NH2-OD1 3.07Å; R583-D585 IonicContact NH2-OD2 3.88Å; R583-D585 PolarHBondContact NH2-OD2 3Å; R583-D585 VanDerWaalsContact NH2-OD2 3.07Å
586	F	98.6	Very high	85.1	Confident	1 Å²	1	81.2 Å²	81.2	0%	0.004	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.2	173.8	-65.9	-91	0	0	0	110.3	F516 V517 N518 Y547 V558 A560 A568 K570 V584 L588	F516-F586 PolarHBondContact O-N 2.88Å; V517-F586 WeakPolarHBondContact CA-O 3.5Å; V517-F586 HydrophobicContact CG1-CB 4.24Å; V517-F586 HydrophobicContact CG2-CB 4.31Å; V517-F586 HydrophobicContact CG2-CD2 4.34Å; N518-F586 PolarHBondContact N-O 3.14Å; Y547-F586 HydrophobicContact CE1-CD2 4.23Å; Y547-F586 HydrophobicContact CE1-CE2 4.42Å; Y547-F586 WeakPolarHBondContact OH-CE2 3.27Å; V558-F586 HydrophobicContact CB-CZ 4.07Å; V558-F586 HydrophobicContact CG1-CE2 4.11Å; V558-F586 HydrophobicContact CG1-CZ 3.74Å; A560-F586 HydrophobicContact CB-CB 3.66Å; A560-F586 HydrophobicContact CB-CD1 3.59Å; A560-F586 HydrophobicContact CB-CD2 3.67Å; A560-F586 HydrophobicContact CB-CE1 4.09Å; A560-F586 HydrophobicContact CB-CE2 4.15Å; A560-F586 HydrophobicContact CB-CG 3.35Å; A560-F586 HydrophobicContact CB-CZ 4.35Å; A568-F586 HydrophobicContact CB-CD1 3.99Å; A568-F586 WeakPolarHBondContact O-CE1 3.07Å; K570-F586 HydrophobicContact CB-CE1 4.04Å; K570-F586 HydrophobicContact CB-CZ 4.28Å; K570-F586 HydrophobicContact CD-CD1 4.28Å; K570-F586 HydrophobicContact CD-CE1 3.98Å; K570-F586 HydrophobicContact CD-CZ 4.39Å; K570-F586 HydrophobicContact CG-CD1 4.34Å; K570-F586 HydrophobicContact CG-CE1 3.76Å; K570-F586 HydrophobicContact CG-CZ 4.38Å; V584-F586 HydrophobicContact CG1-CD2 4.5Å; V584-F586 HydrophobicContact CG1-CE2 3.74Å; V584-F586 HydrophobicContact CG1-CZ 3.92Å; F586-L588 HydrophobicContact CB-CD2 4.49Å
587	V	98	Very high	83.4	Confident	86 Å²	86	77.7 Å²	77.7	52%	0.521	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.1	169.1	179.7	0	0	0	0	106.3	N518 E520	N518-V587 CarbonylContact O-C 3.49Å; N518-V587 VanDerWaalsContact O-CA 3.31Å; N518-V587 WeakPolarHBondContact O-CA 3.31Å; E520-V587 HydrophobicContact CG-CG1 4.39Å
588	L	96.8	Very high	81.5	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.7	-179.2	-53.8	-172.5	0	0	0	110.2	V517 N518 I525 A560 A562 Y565 A568 F586	V517-L588 HydrophobicContact CG1-CD1 3.58Å; V517-L588 HydrophobicContact CG1-CD2 4.39Å; V517-L588 HydrophobicContact CG1-CG 3.68Å; N518-L588 PolarHBondContact O-N 2.98Å; I525-L588 HydrophobicContact CD1-CB 4.08Å; I525-L588 HydrophobicContact CD1-CD1 4.05Å; I525-L588 HydrophobicContact CD1-CG 4.27Å; A560-L588 HydrophobicContact CB-CD2 4.06Å; A562-L588 HydrophobicContact CB-CD1 3.89Å; Y565-L588 HydrophobicContact CD1-CB 3.81Å; Y565-L588 HydrophobicContact CG-CB 4.02Å; A568-L588 HydrophobicContact CB-CD2 3.62Å; F586-L588 HydrophobicContact CB-CD2 4.49Å
589	Q	94.2	Very high	79.5	Confident	115 Å²	115	78 Å²	78	54%	0.537	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-94.3	139.3	179.7	-53.7	-167.2	-56.9	0	0	110	E520 Y565 A566 A591	E520-Q589 HydrophobicContact CG-CB 4.38Å; E520-Q589 HydrophobicContact CG-CG 4.1Å; E520-Q589 VanDerWaalsContact OE1-CG 3.3Å; E520-Q589 WeakPolarHBondContact OE1-CG 3.1Å; E520-Q589 PolarHBondContact OE1-NE2 3.44Å; Y565-Q589 CarbonylContact C-O 3.48Å; Y565-Q589 VanDerWaalsContact CA-O 3.28Å; Y565-Q589 WeakPolarHBondContact CA-O 3.18Å; A566-Q589 PolarHBondContact N-O 3.12Å; Q589-A591 PolarHBondContact O-N 3.41Å
590	K	91.1	Very high	78.1	Confident	125 Å²	125	72.9 Å²	72.9	54%	0.543	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-61.3	130.4	175.7	-73.1	173.3	-179	157.4	0	108.9	E521 Y565	E521-K590 IonicContact OE1-NZ 3.54Å; E521-K590 PolarHBondContact OE1-NZ 3.09Å; Y565-K590 HydrophobicContact CD1-CG 4.19Å; Y565-K590 HydrophobicContact CE1-CG 3.78Å
591	A	85.7	Confident	76.1	Confident	33 Å²	33	71.9 Å²	71.9	27%	0.273	38%	0.379	S	S	.	.			trans	-137.3	150.8	178.4	0	0	0	0	0	110	G564 A566 Q589 L593	G564-A591 CarbonylContact C-O 3.51Å; G564-A591 PolarHBondContact O-N 3.08Å; G564-A591 VanDerWaalsContact O-N 3.09Å; A566-A591 HydrophobicContact CB-CB 3.92Å; Q589-A591 PolarHBondContact O-N 3.41Å; A591-L593 PolarHBondContact O-N 3.37Å
592	P	73.3	Confident	73.5	Confident	122 Å²	122	75.9 Å²	75.9	79%	0.792	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-53.1	139.5	169.8	-18.2	29.4	0	0	0	109.5	D594	P592-D594 PolarHBondContact O-N 3.03Å; P592-D594 VanDerWaalsContact O-N 3.14Å
593	L	64	Low	71	Confident	95 Å²	95	80.3 Å²	80.3	50%	0.497	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-54.7	121.8	176.1	-71.1	162.6	0	0	0	108.8	A591	A591-L593 PolarHBondContact O-N 3.37Å
594	D	59.2	Low	68.6	Low	68 Å²	68	78 Å²	78	36%	0.364	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70.4	122.7	173.5	-168.8	-11.4	0	0	0	107.3	P592 D596 I597 E598	P592-D594 PolarHBondContact O-N 3.03Å; P592-D594 VanDerWaalsContact O-N 3.14Å; D594-D596 PolarHBondContact O-N 3.01Å; D594-D596 VanDerWaalsContact O-N 3.11Å; D594-I597 HydrophobicContact CB-CB 4.36Å; D594-I597 HydrophobicContact CB-CD1 3.7Å; D594-I597 HydrophobicContact CB-CG1 3.86Å; D594-I597 WeakPolarHBondContact O-CA 3.25Å; D594-I597 WeakPolarHBondContact O-CB 3.14Å; D594-I597 PolarHBondContact O-N 3.3Å; D594-E598 PolarHBondContact O-N 3.23Å
595	P	53.7	Low	65.8	Low	88 Å²	88	79.9 Å²	79.9	57%	0.571	44%	0.437	S	S	*	.	H	α-helix	trans	-59.5	-23.4	-177.8	20.6	-31.4	0	0	0	113.1	I597 E598	P595-I597 VanDerWaalsContact C-N 3.28Å; P595-I597 PolarHBondContact O-N 3.12Å; P595-E598 PolarHBondContact O-N 3.3Å
596	D	54.6	Low	63.4	Low	121 Å²	121	81.4 Å²	81.4	65%	0.647	45%	0.452	S	S	*	.	H	α-helix	trans	-70.2	-22.1	172.6	-74.4	-20.5	0	0	0	112.9	D594	D594-D596 PolarHBondContact O-N 3.01Å; D594-D596 VanDerWaalsContact O-N 3.11Å
597	I	54.6	Low	61.1	Low	45 Å²	45	85.3 Å²	85.3	23%	0.231	48%	0.48	C	S	.	.	H	α-helix	trans	-83.2	-31.2	174.9	-61.4	174.7	0	0	0	110.7	D594 P595 E599 E600 E601	D594-I597 HydrophobicContact CB-CB 4.36Å; D594-I597 HydrophobicContact CB-CD1 3.7Å; D594-I597 HydrophobicContact CB-CG1 3.86Å; D594-I597 WeakPolarHBondContact O-CA 3.25Å; D594-I597 WeakPolarHBondContact O-CB 3.14Å; D594-I597 PolarHBondContact O-N 3.3Å; P595-I597 VanDerWaalsContact C-N 3.28Å; P595-I597 PolarHBondContact O-N 3.12Å; I597-E599 VanDerWaalsContact C-N 3.34Å; I597-E599 PolarHBondContact O-N 3.46Å; I597-E600 PolarHBondContact O-N 3.45Å; I597-E601 HydrophobicContact CG2-CG 3.97Å; I597-E601 WeakPolarHBondContact CG2-OE2 3.39Å; I597-E601 WeakPolarHBondContact O-CB 3.45Å; I597-E601 PolarHBondContact O-N 3.09Å
598	E	46.1	Very low	59.3	Low	110 Å²	110	83.3 Å²	83.3	51%	0.514	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-36.7	174.3	-74.9	-171.9	157.9	0	0	112.6	D594 P595 S602	D594-E598 PolarHBondContact O-N 3.23Å; P595-E598 PolarHBondContact O-N 3.3Å; E598-S602 WeakPolarHBondContact O-CA 3.39Å; E598-S602 WeakPolarHBondContact O-CB 3.32Å; E598-S602 PolarHBondContact O-N 3.28Å; E598-S602 PolarHBondContact O-OG 3.22Å
599	E	45.3	Very low	58.1	Low	150 Å²	150	85.8 Å²	85.8	70%	0.701	48%	0.479	S	S	*	.	H	α-helix	trans	-73.8	-33.3	175.7	-79.5	-167.4	167.7	0	0	113.3	I597 V603	I597-E599 VanDerWaalsContact C-N 3.34Å; I597-E599 PolarHBondContact O-N 3.46Å; E599-V603 WeakPolarHBondContact O-CG2 3.35Å
600	E	50	Low	57	Low	89 Å²	89	84.9 Å²	84.9	42%	0.416	48%	0.478	S	S	.	.	H	α-helix	trans	-77.3	-30.9	175.6	-84	-169.7	165.9	0	0	113.1	G350 I597	G350-E600 WeakPolarHBondContact CA-OE1 3.07Å; I597-E600 PolarHBondContact O-N 3.45Å
601	E	49.6	Very low	56.1	Low	57 Å²	57	85.5 Å²	85.5	27%	0.266	48%	0.477	S	S	.	.	H	α-helix	trans	-94.7	-28.6	-178.7	-68.7	-173.4	161.3	0	0	114	P563 I597 V603 L604	P563-E601 WeakPolarHBondContact CG-OE2 3.41Å; I597-E601 HydrophobicContact CG2-CG 3.97Å; I597-E601 WeakPolarHBondContact CG2-OE2 3.39Å; I597-E601 WeakPolarHBondContact O-CB 3.45Å; I597-E601 PolarHBondContact O-N 3.09Å; E601-V603 VanDerWaalsContact C-N 3.26Å; E601-V603 PolarHBondContact O-N 2.98Å; E601-L604 CarbonylContact O-C 3.31Å; E601-L604 VanDerWaalsContact O-C 3.31Å; E601-L604 PolarHBondContact O-N 3.37Å; E601-L604 VanDerWaalsContact O-O 3.14Å
602	S	38.9	Very low	55.7	Low	93 Å²	93	85.3 Å²	85.3	65%	0.65	47%	0.47	S	S	*	.	H	α-helix	trans	-70.8	-21.4	175.8	70.1	0	0	0	0	113.5	E598 L604	E598-S602 WeakPolarHBondContact O-CA 3.39Å; E598-S602 WeakPolarHBondContact O-CB 3.32Å; E598-S602 PolarHBondContact O-N 3.28Å; E598-S602 PolarHBondContact O-OG 3.22Å; S602-L604 VanDerWaalsContact C-N 3.34Å
603	V	43.3	Very low	55.8	Low	116 Å²	116	80.1 Å²	80.1	70%	0.703	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-17	177.3	179.5	0	0	0	0	112.2	E599 E601	E599-V603 WeakPolarHBondContact O-CG2 3.35Å; E601-V603 VanDerWaalsContact C-N 3.26Å; E601-V603 PolarHBondContact O-N 2.98Å
604	L	46.6	Very low	56	Low	58 Å²	58	76.7 Å²	76.7	30%	0.304	42%	0.419	S	S	.	.	S	Bend	trans	-134.7	78.6	177.5	-75	165.5	0	0	0	108.5	E601 S602 S606	E601-L604 CarbonylContact O-C 3.31Å; E601-L604 VanDerWaalsContact O-C 3.31Å; E601-L604 PolarHBondContact O-N 3.37Å; E601-L604 VanDerWaalsContact O-O 3.14Å; S602-L604 VanDerWaalsContact C-N 3.34Å; L604-S606 PolarHBondContact O-N 2.87Å
605	S	40.7	Very low	56.5	Low	50 Å²	50	78.6 Å²	78.6	35%	0.35	42%	0.422	S	S	.	.			trans	-51.9	131	176.7	70.4	0	0	0	0	110.2	S607 S608	S605-S607 WeakPolarHBondContact CB-OG 3.19Å; S605-S607 PolarHBondContact O-N 3.28Å; S605-S607 PolarHBondContact OG-OG 3.09Å; S605-S608 PolarHBondContact O-N 3.19Å; S605-S608 PolarHBondContact O-OG 3.23Å; S605-S608 PolarHBondContact OG-N 2.88Å; S605-S608 VanDerWaalsContact OG-N 3.14Å
606	S	47.6	Very low	57	Low	87 Å²	87	79.4 Å²	79.4	61%	0.608	42%	0.421	S	S	*	.	H	α-helix	trans	-42.6	-36.2	160.1	-173.6	0	0	0	0	110.1	L604 S608 Y609 D610	L604-S606 PolarHBondContact O-N 2.87Å; S606-S608 PolarHBondContact O-N 2.84Å; S606-S608 VanDerWaalsContact O-N 3.12Å; S606-Y609 PolarHBondContact O-N 2.82Å; S606-D610 VanDerWaalsContact C-OD2 3.28Å; S606-D610 WeakPolarHBondContact O-CB 3.33Å; S606-D610 PolarHBondContact O-N 2.75Å; S606-D610 PolarHBondContact OG-OD2 2.61Å
607	S	50.4	Low	57.4	Low	83 Å²	83	74.5 Å²	74.5	58%	0.58	39%	0.394	S	S	*	.	H	α-helix	trans	-60.9	-20.6	178	74.4	0	0	0	0	115.9	S605 R611	S605-S607 WeakPolarHBondContact CB-OG 3.19Å; S605-S607 PolarHBondContact O-N 3.28Å; S605-S607 PolarHBondContact OG-OG 3.09Å; S607-R611 WeakPolarHBondContact O-CB 3.19Å; S607-R611 PolarHBondContact O-N 2.7Å
608	S	59	Low	57.4	Low	43 Å²	43	77.2 Å²	77.2	30%	0.301	40%	0.403	S	S	.	.	H	α-helix	trans	-85.3	-38.1	177.8	68.8	0	0	0	0	113.1	S605 S606 R611	S605-S608 PolarHBondContact O-N 3.19Å; S605-S608 PolarHBondContact O-OG 3.23Å; S605-S608 PolarHBondContact OG-N 2.88Å; S605-S608 VanDerWaalsContact OG-N 3.14Å; S606-S608 PolarHBondContact O-N 2.84Å; S606-S608 VanDerWaalsContact O-N 3.12Å; S608-R611 PolarHBondContact O-N 3.27Å
609	Y	71.4	Confident	57.8	Low	53 Å²	53	76.3 Å²	76.3	21%	0.208	40%	0.401	C	S	.	.	H	α-helix	trans	-72.7	-38.8	173.8	-176.1	-96.2	0	0	0	111.2	H355 R379 H470 S606 R611	H355-Y609 HydrophobicContact CB-CD2 4.05Å; H355-Y609 HydrophobicContact CB-CE2 3.67Å; H355-Y609 AromaticContact CD2-CZ 3.74Å; H355-Y609 PolarHBondContact CD2-OH 3.1Å; H355-Y609 WeakPolarHBondContact O-CD2 3.35Å; R379-Y609 PolarHBondContact NH1-O 3Å; R379-Y609 PolarHBondContact NH2-O 3.4Å; H470-Y609 AromaticContact CE1-CE2 3.54Å; H470-Y609 AromaticContact ND1-CE2 3.82Å; H470-Y609 WeakPolarHBondContact O-CE2 3.44Å; H470-Y609 PolarHBondContact O-OH 3.35Å; S606-Y609 PolarHBondContact O-N 2.82Å; Y609-R611 PolarHBondContact O-N 2.9Å
610	D	71.8	Confident	58.3	Low	97 Å²	97	74.9 Å²	74.9	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-27.1	175	-66.6	-34.2	0	0	0	111.9	S606 F612	S606-D610 VanDerWaalsContact C-OD2 3.28Å; S606-D610 WeakPolarHBondContact O-CB 3.33Å; S606-D610 PolarHBondContact O-N 2.75Å; S606-D610 PolarHBondContact OG-OD2 2.61Å; D610-F612 PolarHBondContact O-N 3.11Å
611	R	73.2	Confident	58.4	Low	138 Å²	138	73.4 Å²	73.4	52%	0.521	39%	0.385	S	S	.	.			trans	-80.2	82.9	175.3	-167.2	176.3	-170.3	-153.6	-8.8	111.3	S607 S608 Y609 P614	S607-R611 WeakPolarHBondContact O-CB 3.19Å; S607-R611 PolarHBondContact O-N 2.7Å; S608-R611 PolarHBondContact O-N 3.27Å; Y609-R611 PolarHBondContact O-N 2.9Å; R611-P614 HydrophobicContact CG-CB 4.05Å; R611-P614 PolarHBondContact NH2-O 2.63Å
612	F	77.3	Confident	58.3	Low	29 Å²	29	72.6 Å²	72.6	13%	0.127	38%	0.384	C	S	.	.	S	Bend	trans	-61.3	-60	179.1	-178.6	-121.5	0	0	0	113.3	I358 W363 Y372 M375 K376 R379 D610	I358-F612 HydrophobicContact CD1-CD2 4.02Å; I358-F612 HydrophobicContact CD1-CE2 3.9Å; W363-F612 WeakPolarHBondContact CZ2-O 3.4Å; Y372-F612 HydrophobicContact CE1-CE1 4.26Å; Y372-F612 HydrophobicContact CE2-CE1 4.11Å; Y372-F612 AromaticContact CZ-CE1 3.8Å; M375-F612 HydrophobicContact CB-CE2 3.98Å; M375-F612 HydrophobicContact CB-CZ 3.71Å; K376-F612 HydrophobicContact CB-CE1 3.99Å; K376-F612 HydrophobicContact CB-CZ 4.08Å; R379-F612 VanDerWaalsContact CD-CE2 3.46Å; R379-F612 HydrophobicContact CG-CD2 4.42Å; R379-F612 HydrophobicContact CG-CE2 4.37Å; R379-F612 VanDerWaalsContact NH1-CA 3.25Å; R379-F612 VanDerWaalsContact NH1-CB 3.29Å; D610-F612 PolarHBondContact O-N 3.11Å
613	D	74.3	Confident	58.6	Low	13 Å²	13	71.5 Å²	71.5	7%	0.07	37%	0.374	C	S	.	.			trans	-125.3	91.1	-175.3	176.4	-0.9	0	0	0	108.6	W363 Y372 Y615 N616 Q617 Y618	W363-D613 HydrophobicContact CH2-CB 4.08Å; W363-D613 HydrophobicContact CZ2-CB 4.29Å; W363-D613 HydrophobicContact CZ3-CB 4.46Å; Y372-D613 HydrophobicContact CE2-CB 4.21Å; Y372-D613 VanDerWaalsContact CE2-OD2 3.27Å; Y372-D613 WeakPolarHBondContact CE2-OD2 3.19Å; Y372-D613 PolarHBondContact OH-OD2 3.33Å; D613-Y615 PolarHBondContact O-N 3.42Å; D613-Y615 VanDerWaalsContact O-N 3.09Å; D613-Y615 PolarHBondContact OD1-N 3.44Å; D613-N616 PolarHBondContact O-N 2.92Å; D613-N616 PolarHBondContact OD1-N 3.2Å; D613-N616 WeakPolarHBondContact OD2-CA 3.36Å; D613-Q617 VanDerWaalsContact CG-N 3.33Å; D613-Q617 PolarHBondContact OD1-N 3.13Å; D613-Q617 PolarHBondContact OD2-N 2.95Å; D613-Y618 PolarHBondContact OD2-N 2.98Å
614	P	68.4	Low	58.6	Low	22 Å²	22	72.7 Å²	72.7	14%	0.143	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.3	-174.5	23.1	-32.5	0	0	0	114.2	W363 R611	W363-P614 HydrophobicContact CG-CG 4.3Å; R611-P614 HydrophobicContact CG-CB 4.05Å; R611-P614 PolarHBondContact NH2-O 2.63Å
615	Y	68.6	Low	58.4	Low	109 Å²	109	72.7 Å²	72.7	43%	0.427	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	4.4	-174.7	-58.3	-73.5	0	0	0	113.1	W363 F364 D613 Q617	W363-Y615 HydrophobicContact CB-CD2 3.55Å; W363-Y615 HydrophobicContact CB-CE2 3.82Å; W363-Y615 HydrophobicContact CG-CD2 4.01Å; W363-Y615 HydrophobicContact CG-CE2 4.35Å; F364-Y615 HydrophobicContact CE1-CE1 4.47Å; F364-Y615 AromaticContact CE1-CE2 3.94Å; F364-Y615 HydrophobicContact CE1-CE2 3.94Å; F364-Y615 AromaticContact CE1-CZ 3.69Å; F364-Y615 WeakPolarHBondContact CE1-OH 3.25Å; F364-Y615 WeakPolarHBondContact CZ-OH 3.13Å; D613-Y615 PolarHBondContact O-N 3.42Å; D613-Y615 VanDerWaalsContact O-N 3.09Å; D613-Y615 PolarHBondContact OD1-N 3.44Å; Y615-Q617 VanDerWaalsContact C-N 3.25Å; Y615-Q617 PolarHBondContact O-N 3.23Å
616	N	65.9	Low	58.2	Low	104 Å²	104	74.2 Å²	74.2	56%	0.556	39%	0.386	S	S	*	.			trans	47.6	45.6	-177.2	-70.7	-25.6	0	0	0	112.7	D613 Y618 N619	D613-N616 PolarHBondContact O-N 2.92Å; D613-N616 PolarHBondContact OD1-N 3.2Å; D613-N616 WeakPolarHBondContact OD2-CA 3.36Å; N616-Y618 PolarHBondContact O-N 2.98Å; N616-Y618 VanDerWaalsContact O-N 3.11Å; N616-N619 PolarHBondContact O-N 3.14Å
617	Q	61.9	Low	57.8	Low	19 Å²	19	73.2 Å²	73.2	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-55.4	-25.7	173	-67.3	-161.9	-7.1	0	0	112.4	W363 D613 Y615 N619 Q620 Y621	W363-Q617 HydrophobicContact CE3-CG 4.24Å; W363-Q617 PolarHBondContact O-NE2 3.08Å; D613-Q617 VanDerWaalsContact CG-N 3.33Å; D613-Q617 PolarHBondContact OD1-N 3.13Å; D613-Q617 PolarHBondContact OD2-N 2.95Å; Y615-Q617 VanDerWaalsContact C-N 3.25Å; Y615-Q617 PolarHBondContact O-N 3.23Å; Q617-N619 PolarHBondContact O-N 2.64Å; Q617-Q620 WeakPolarHBondContact O-CA 3.38Å; Q617-Q620 WeakPolarHBondContact O-CB 3.45Å; Q617-Q620 PolarHBondContact O-N 3.37Å; Q617-Y621 HydrophobicContact CB-CE2 3.95Å; Q617-Y621 WeakPolarHBondContact O-CD2 3.43Å; Q617-Y621 PolarHBondContact O-N 3.38Å
618	Y	55.7	Low	57.1	Low	102 Å²	102	75.6 Å²	75.6	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-47.3	-45.4	169.3	-172.8	-110.7	0	0	0	113.1	Y372 D613 N616 Q620 Y621 T622	Y372-Y618 HydrophobicContact CD1-CD2 4.32Å; Y372-Y618 AromaticContact CE1-CD2 3.63Å; Y372-Y618 HydrophobicContact CE1-CD2 3.63Å; Y372-Y618 HydrophobicContact CE1-CG 4.25Å; Y372-Y618 WeakPolarHBondContact OH-CB 3.46Å; D613-Y618 PolarHBondContact OD2-N 2.98Å; N616-Y618 PolarHBondContact O-N 2.98Å; N616-Y618 VanDerWaalsContact O-N 3.11Å; Y618-Q620 VanDerWaalsContact C-N 3.27Å; Y618-Q620 PolarHBondContact O-N 2.93Å; Y618-Y621 PolarHBondContact O-N 3.25Å; Y618-T622 HydrophobicContact CD1-CG2 4.09Å; Y618-T622 HydrophobicContact CD2-CG2 4.45Å; Y618-T622 HydrophobicContact CE1-CG2 3.64Å; Y618-T622 HydrophobicContact CE2-CG2 4.03Å; Y618-T622 HydrophobicContact CG-CG2 4.49Å; Y618-T622 PolarHBondContact O-N 3.45Å; Y618-T622 PolarHBondContact O-OG1 2.87Å
619	N	54	Low	56.3	Low	90 Å²	90	82.8 Å²	82.8	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-31.5	178.6	-77.9	-14.2	0	0	0	111.2	N616 Q617 T622 T623	N616-N619 PolarHBondContact O-N 3.14Å; Q617-N619 PolarHBondContact O-N 2.64Å; N619-T622 WeakPolarHBondContact CA-OG1 3Å; N619-T622 PolarHBondContact O-OG1 2.9Å; N619-T623 WeakPolarHBondContact O-CA 3.41Å; N619-T623 WeakPolarHBondContact O-CB 3.36Å; N619-T623 PolarHBondContact O-N 3.32Å; N619-T623 PolarHBondContact O-OG1 3.14Å
620	Q	56.2	Low	54.5	Low	121 Å²	121	88.2 Å²	88.2	57%	0.565	43%	0.43	S	S	*	.	H	α-helix	trans	-66.4	-38.4	174.7	-68	-178.7	-11.8	0	0	111.8	Q617 Y618 M624	Q617-Q620 WeakPolarHBondContact O-CA 3.38Å; Q617-Q620 WeakPolarHBondContact O-CB 3.45Å; Q617-Q620 PolarHBondContact O-N 3.37Å; Y618-Q620 VanDerWaalsContact C-N 3.27Å; Y618-Q620 PolarHBondContact O-N 2.93Å; Q620-M624 VanDerWaalsContact O-CB 3.27Å; Q620-M624 WeakPolarHBondContact O-CB 3.44Å; Q620-M624 VanDerWaalsContact O-CG 3.31Å; Q620-M624 WeakPolarHBondContact O-CG 3.46Å; Q620-M624 PolarHBondContact O-N 3.31Å
621	Y	50.7	Low	52.7	Low	57 Å²	57	90.8 Å²	90.8	22%	0.224	44%	0.439	C	S	.	.	H	α-helix	trans	-72	-41.3	176.9	-60.2	-70	0	0	0	112.8	V367 P369 Y372 Q617 Y618 A625	V367-Y621 PolarHBondContact O-OH 2.84Å; P369-Y621 HydrophobicContact CB-CD1 3.95Å; P369-Y621 HydrophobicContact CB-CE1 4.18Å; P369-Y621 HydrophobicContact CB-CG 4.49Å; Y372-Y621 HydrophobicContact CD2-CE2 4.39Å; Y372-Y621 HydrophobicContact CG-CE2 4.47Å; Q617-Y621 HydrophobicContact CB-CE2 3.95Å; Q617-Y621 WeakPolarHBondContact O-CD2 3.43Å; Q617-Y621 PolarHBondContact O-N 3.38Å; Y618-Y621 PolarHBondContact O-N 3.25Å; Y621-A625 WeakPolarHBondContact O-CB 3.31Å; Y621-A625 PolarHBondContact O-N 3.38Å; Y621-A625 VanDerWaalsContact O-N 3.07Å
622	T	47.9	Very low	50.8	Low	40 Å²	40	90.9 Å²	90.9	25%	0.245	45%	0.445	C	S	.	.	H	α-helix	trans	-71.1	-37	175.4	58.7	0	0	0	0	111.8	Y618 N619 A625 D626	Y618-T622 HydrophobicContact CD1-CG2 4.09Å; Y618-T622 HydrophobicContact CD2-CG2 4.45Å; Y618-T622 HydrophobicContact CE1-CG2 3.64Å; Y618-T622 HydrophobicContact CE2-CG2 4.03Å; Y618-T622 HydrophobicContact CG-CG2 4.49Å; Y618-T622 PolarHBondContact O-N 3.45Å; Y618-T622 PolarHBondContact O-OG1 2.87Å; N619-T622 WeakPolarHBondContact CA-OG1 3Å; N619-T622 PolarHBondContact O-OG1 2.9Å; T622-A625 PolarHBondContact O-N 3.11Å; T622-D626 WeakPolarHBondContact O-CB 3.48Å; T622-D626 PolarHBondContact O-N 3.05Å
623	T	45.8	Very low	48.7	Very low	71 Å²	71	99 Å²	99	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-74.6	-30.4	177.3	-45.3	0	0	0	0	111.3	N619 D626 V627	N619-T623 WeakPolarHBondContact O-CA 3.41Å; N619-T623 WeakPolarHBondContact O-CB 3.36Å; N619-T623 PolarHBondContact O-N 3.32Å; N619-T623 PolarHBondContact O-OG1 3.14Å; T623-D626 PolarHBondContact O-N 2.93Å; T623-V627 HydrophobicContact CG2-CG2 3.77Å; T623-V627 WeakPolarHBondContact O-CA 3.29Å; T623-V627 WeakPolarHBondContact O-CB 3.2Å; T623-V627 WeakPolarHBondContact O-CG2 3.5Å; T623-V627 PolarHBondContact O-N 3.44Å
624	M	43	Very low	46.9	Very low	141 Å²	141	108.4 Å²	108.4	70%	0.695	52%	0.518	S	S	*	.	H	α-helix	trans	-68.9	-38.1	169.6	-82.2	-177.5	153.1	0	0	111.8	Q620 N628	Q620-M624 VanDerWaalsContact O-CB 3.27Å; Q620-M624 WeakPolarHBondContact O-CB 3.44Å; Q620-M624 VanDerWaalsContact O-CG 3.31Å; Q620-M624 WeakPolarHBondContact O-CG 3.46Å; Q620-M624 PolarHBondContact O-N 3.31Å; M624-N628 WeakPolarHBondContact O-CB 3.26Å; M624-N628 PolarHBondContact O-N 3.33Å
625	A	42.3	Very low	45.7	Very low	57 Å²	57	110.4 Å²	110.4	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-37.2	171.8	0	0	0	0	0	112.3	Y621 T622	Y621-A625 WeakPolarHBondContact O-CB 3.31Å; Y621-A625 PolarHBondContact O-N 3.38Å; Y621-A625 VanDerWaalsContact O-N 3.07Å; T622-A625 PolarHBondContact O-N 3.11Å
626	D	36.9	Very low	44.7	Very low	82 Å²	82	113.9 Å²	113.9	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-83.2	-27.2	177.4	-77.6	-37.2	0	0	0	113.8	T622 T623 R629 Q630	T622-D626 WeakPolarHBondContact O-CB 3.48Å; T622-D626 PolarHBondContact O-N 3.05Å; T623-D626 PolarHBondContact O-N 2.93Å; D626-R629 WeakPolarHBondContact O-CA 3.44Å; D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.47Å; D626-R629 PolarHBondContact O-N 3.5Å; D626-R629 WeakPolarHBondContact OD1-CD 3.18Å; D626-R629 IonicContact OD1-NH1 2.75Å; D626-Q630 PolarHBondContact O-N 3.32Å
627	V	38.3	Very low	44.5	Very low	67 Å²	67	114.8 Å²	114.8	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-77	-30.2	173.3	170.4	0	0	0	0	110.2	T623 R629 Q630 H631	T623-V627 HydrophobicContact CG2-CG2 3.77Å; T623-V627 WeakPolarHBondContact O-CA 3.29Å; T623-V627 WeakPolarHBondContact O-CB 3.2Å; T623-V627 WeakPolarHBondContact O-CG2 3.5Å; T623-V627 PolarHBondContact O-N 3.44Å; V627-R629 PolarHBondContact O-N 3.28Å; V627-Q630 PolarHBondContact O-N 3.35Å; V627-H631 PolarHBondContact O-N 3.31Å
628	N	37.4	Very low	44.9	Very low	133 Å²	133	114.6 Å²	114.6	71%	0.711	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-13.6	161.6	-103.5	3.9	0	0	0	113.3	M624	M624-N628 WeakPolarHBondContact O-CB 3.26Å; M624-N628 PolarHBondContact O-N 3.33Å
629	R	42	Very low	45.5	Very low	194 Å²	194	117.1 Å²	117.1	73%	0.732	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-16.3	166.3	-64.4	173	72.1	-179.4	5.6	113.2	D626 V627	D626-R629 WeakPolarHBondContact O-CA 3.44Å; D626-R629 VanDerWaalsContact O-CB 3.22Å; D626-R629 WeakPolarHBondContact O-CB 3.47Å; D626-R629 PolarHBondContact O-N 3.5Å; D626-R629 WeakPolarHBondContact OD1-CD 3.18Å; D626-R629 IonicContact OD1-NH1 2.75Å; V627-R629 PolarHBondContact O-N 3.28Å
630	Q	32.2	Very low	46.5	Very low	166 Å²	166	112.9 Å²	112.9	78%	0.776	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-22	-172.4	-71.3	-170.6	-6.5	0	0	114.6	D626 V627	D626-Q630 PolarHBondContact O-N 3.32Å; V627-Q630 PolarHBondContact O-N 3.35Å
631	H	34.8	Very low	47.5	Very low	151 Å²	151	107.9 Å²	107.9	70%	0.699	52%	0.518	S	S	*	.	S	Bend	trans	-99.9	98.4	169.3	-99.3	-77.4	0	0	0	110.2	V627	V627-H631 PolarHBondContact O-N 3.31Å
632	E	32.5	Very low	48.3	Very low	141 Å²	141	109 Å²	109	66%	0.659	53%	0.534	S	S	*	.			trans	70.6	116.2	-176.2	-61.6	179.4	169.2	0	0	113.5	R634	E632-R634 HydrophobicContact CB-CB 4.32Å; E632-R634 PolarHBondContact O-N 3.3Å
633	E	33	Very low	49.2	Very low	200 Å²	200	111.2 Å²	111.2	94%	0.935	54%	0.539	S	S	*	.			trans	-57.1	69.7	143.2	-73.6	177.5	150.3	0	0	107.8	A635	E633-A635 PolarHBondContact O-N 3.48Å
634	R	37	Very low	50.5	Low	209 Å²	209	108.2 Å²	108.2	79%	0.789	52%	0.52	S	S	*	.			trans	-74	94.9	164	-148	177	-165.4	-173.3	2.8	102.5	E632 E636	E632-R634 HydrophobicContact CB-CB 4.32Å; E632-R634 PolarHBondContact O-N 3.3Å; R634-E636 PolarHBondContact O-N 2.92Å
635	A	44	Very low	51.6	Low	64 Å²	64	103.7 Å²	103.7	53%	0.529	51%	0.505	S	S	.	.			trans	-41.3	112.8	171.8	0	0	0	0	0	107	E633 K637	E633-A635 PolarHBondContact O-N 3.48Å; A635-K637 VanDerWaalsContact C-N 3.28Å; A635-K637 PolarHBondContact O-N 3.34Å
636	E	48.3	Very low	52.4	Low	182 Å²	182	105.4 Å²	105.4	85%	0.85	51%	0.513	S	S	*	.			trans	-53.8	104.4	171.1	-83	179.9	162.8	0	0	105.2	R634 P638	R634-E636 PolarHBondContact O-N 2.92Å; E636-P638 WeakPolarHBondContact O-CD 3.39Å
637	K	60.9	Low	53.5	Low	123 Å²	123	106.1 Å²	106.1	54%	0.535	52%	0.516	S	S	.	.			trans	-72.8	123.5	177.8	-84.9	161.1	165.1	-159.3	0	104.9	A635 W641	A635-K637 VanDerWaalsContact C-N 3.28Å; A635-K637 PolarHBondContact O-N 3.34Å; K637-W641 HydrophobicContact CB-CB 3.81Å; K637-W641 HydrophobicContact CB-CD2 4.41Å; K637-W641 HydrophobicContact CB-CG 3.61Å; K637-W641 VanDerWaalsContact CD-CD1 3.42Å; K637-W641 HydrophobicContact CD-CD2 4.36Å; K637-W641 HydrophobicContact CD-CG 4.05Å; K637-W641 HydrophobicContact CG-CD2 4.15Å; K637-W641 HydrophobicContact CG-CG 3.82Å
638	P	71.1	Confident	54.2	Low	16 Å²	16	106.9 Å²	106.9	10%	0.104	54%	0.538	C	S	.	.			trans	-52.5	154.1	-179.1	-28.2	36.8	0	0	0	111.3	Q132 E636 W640 W641 L656	Q132-P638 HydrophobicContact CB-CG 4.09Å; E636-P638 WeakPolarHBondContact O-CD 3.39Å; P638-W640 HydrophobicContact CB-CD2 4.1Å; P638-W640 VanDerWaalsContact CB-CE2 3.44Å; P638-W640 HydrophobicContact CB-CG 4.26Å; P638-W640 HydrophobicContact CB-CZ2 3.81Å; P638-W640 HydrophobicContact CG-CH2 4.47Å; P638-W640 HydrophobicContact CG-CZ2 3.66Å; P638-W640 PolarHBondContact O-N 2.81Å; P638-W641 WeakPolarHBondContact O-CB 3.28Å; P638-W641 PolarHBondContact O-N 2.97Å; P638-L656 HydrophobicContact CG-CD2 4Å
639	W	67.3	Low	55.4	Low	155 Å²	155	102.5 Å²	102.5	59%	0.587	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-32	-174.9	65.6	-92.7	0	0	0	114.1	L83 I131 W641 S642	L83-W639 HydrophobicContact CD2-CH2 3.46Å; L83-W639 VanDerWaalsContact CD2-CH2 3.46Å; L83-W639 HydrophobicContact CD2-CZ2 4.19Å; L83-W639 HydrophobicContact CD2-CZ3 3.72Å; L83-W639 WeakPolarHBondContact O-CZ2 3.05Å; I131-W639 HydrophobicContact CG2-CZ2 4.37Å; W639-W641 VanDerWaalsContact C-N 3.27Å; W639-W641 PolarHBondContact O-N 3.29Å; W639-S642 PolarHBondContact O-OG 3.33Å; W639-S642 VanDerWaalsContact O-OG 3.05Å
640	W	75.6	Confident	56.2	Low	1 Å²	1	99.1 Å²	99.1	0%	0.004	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.1	177.9	55.8	-105.5	0	0	0	113.9	L83 I131 M133 P638 S642 Y643 F644 L655 L656	L83-W640 HydrophobicContact CD1-CB 4.32Å; L83-W640 HydrophobicContact CD2-CB 3.56Å; I131-W640 PolarHBondContact O-NE1 2.91Å; M133-W640 HydrophobicContact CB-CZ2 3.79Å; M133-W640 HydrophobicContact CE-CB 4.48Å; M133-W640 HydrophobicContact CE-CD2 3.32Å; M133-W640 HydrophobicContact CE-CE3 3.45Å; M133-W640 VanDerWaalsContact CE-CE3 3.45Å; M133-W640 HydrophobicContact CE-CG 3.78Å; M133-W640 HydrophobicContact CE-CH2 4.21Å; M133-W640 HydrophobicContact CE-CZ2 4.07Å; M133-W640 HydrophobicContact CE-CZ3 3.89Å; M133-W640 HydrophobicContact CG-CH2 4.36Å; M133-W640 HydrophobicContact CG-CZ2 4.01Å; P638-W640 HydrophobicContact CB-CD2 4.1Å; P638-W640 VanDerWaalsContact CB-CE2 3.44Å; P638-W640 HydrophobicContact CB-CG 4.26Å; P638-W640 HydrophobicContact CB-CZ2 3.81Å; P638-W640 HydrophobicContact CG-CH2 4.47Å; P638-W640 HydrophobicContact CG-CZ2 3.66Å; P638-W640 PolarHBondContact O-N 2.81Å; W640-S642 VanDerWaalsContact C-N 3.34Å; W640-S642 PolarHBondContact O-N 3.39Å; W640-Y643 VanDerWaalsContact O-CB 3.31Å; W640-Y643 WeakPolarHBondContact O-CB 3.35Å; W640-Y643 PolarHBondContact O-N 3.22Å; W640-F644 AromaticContact CE3-CD2 3.93Å; W640-F644 HydrophobicContact CE3-CD2 3.93Å; W640-F644 AromaticContact CE3-CE2 3.95Å; W640-F644 HydrophobicContact CE3-CE2 3.95Å; W640-F644 HydrophobicContact CZ3-CD2 4.37Å; W640-F644 WeakPolarHBondContact O-CD2 3.29Å; W640-L655 HydrophobicContact CH2-CB 3.52Å; W640-L655 VanDerWaalsContact CH2-O 3.31Å; W640-L655 WeakPolarHBondContact CH2-O 3.35Å; W640-L655 HydrophobicContact CZ3-CB 3.56Å; W640-L655 HydrophobicContact CZ3-CD1 4.08Å; W640-L655 HydrophobicContact CZ3-CG 4.44Å; W640-L656 HydrophobicContact CH2-CD2 3.73Å; W640-L656 HydrophobicContact CH2-CG 4.31Å; W640-L656 HydrophobicContact CZ2-CD2 4.21Å
641	W	76.1	Confident	57.8	Low	15 Å²	15	93.7 Å²	93.7	6%	0.057	51%	0.506	C	S	.	.	H	α-helix	trans	-67.3	-33.4	-177.8	-178.4	-90	0	0	0	112.7	K637 P638 W639 Y643 F644 A645 V651 P652 T653 L656	K637-W641 HydrophobicContact CB-CB 3.81Å; K637-W641 HydrophobicContact CB-CD2 4.41Å; K637-W641 HydrophobicContact CB-CG 3.61Å; K637-W641 VanDerWaalsContact CD-CD1 3.42Å; K637-W641 HydrophobicContact CD-CD2 4.36Å; K637-W641 HydrophobicContact CD-CG 4.05Å; K637-W641 HydrophobicContact CG-CD2 4.15Å; K637-W641 HydrophobicContact CG-CG 3.82Å; P638-W641 WeakPolarHBondContact O-CB 3.28Å; P638-W641 PolarHBondContact O-N 2.97Å; W639-W641 VanDerWaalsContact C-N 3.27Å; W639-W641 PolarHBondContact O-N 3.29Å; W641-Y643 VanDerWaalsContact C-N 3.27Å; W641-Y643 PolarHBondContact O-N 2.93Å; W641-F644 PolarHBondContact O-N 3.33Å; W641-A645 WeakPolarHBondContact O-CB 3.27Å; W641-A645 PolarHBondContact O-N 2.98Å; W641-V651 HydrophobicContact CD2-CG1 4.36Å; W641-V651 HydrophobicContact CH2-CB 4.17Å; W641-V651 HydrophobicContact CH2-CG1 3.47Å; W641-V651 VanDerWaalsContact CH2-CG1 3.47Å; W641-V651 HydrophobicContact CZ2-CB 3.87Å; W641-V651 HydrophobicContact CZ2-CG1 3.15Å; W641-V651 HydrophobicContact CZ3-CG1 4.25Å; W641-P652 WeakPolarHBondContact CZ3-O 3.17Å; W641-T653 HydrophobicContact CH2-CG2 3.77Å; W641-T653 HydrophobicContact CZ2-CG2 4.21Å; W641-L656 HydrophobicContact CD2-CD1 4.33Å; W641-L656 HydrophobicContact CD2-CD2 4.19Å; W641-L656 HydrophobicContact CD2-CG 4.46Å; W641-L656 HydrophobicContact CE3-CD1 3.86Å; W641-L656 HydrophobicContact CE3-CD2 3.56Å; W641-L656 HydrophobicContact CE3-CG 3.62Å; W641-L656 HydrophobicContact CH2-CD1 3.93Å; W641-L656 HydrophobicContact CH2-CG 4.32Å; W641-L656 HydrophobicContact CZ2-CD1 4.31Å; W641-L656 HydrophobicContact CZ3-CD1 3.66Å; W641-L656 HydrophobicContact CZ3-CD2 4.06Å; W641-L656 HydrophobicContact CZ3-CG 3.55Å
642	S	68.6	Low	59.7	Low	80 Å²	80	86.9 Å²	86.9	56%	0.559	48%	0.475	S	S	*	.	H	α-helix	trans	-62.1	-36.1	176.6	55.2	0	0	0	0	111.8	W639 W640 F644 A645 S646	W639-S642 PolarHBondContact O-OG 3.33Å; W639-S642 VanDerWaalsContact O-OG 3.05Å; W640-S642 VanDerWaalsContact C-N 3.34Å; W640-S642 PolarHBondContact O-N 3.39Å; S642-F644 VanDerWaalsContact C-N 3.32Å; S642-F644 PolarHBondContact O-N 2.59Å; S642-A645 PolarHBondContact O-N 3.02Å; S642-A645 VanDerWaalsContact O-N 3.1Å; S642-S646 PolarHBondContact O-N 3.06Å; S642-S646 PolarHBondContact O-OG 3.02Å
643	Y	67.1	Low	61.6	Low	88 Å²	88	83.6 Å²	83.6	35%	0.345	46%	0.464	S	S	.	.	H	α-helix	trans	-57.8	-43.3	178.3	-171.5	-92.1	0	0	0	112.2	L75 V79 W640 W641 S646 L647	L75-Y643 HydrophobicContact CD1-CE1 4.02Å; L75-Y643 HydrophobicContact CD2-CE1 4.48Å; L75-Y643 HydrophobicContact CG-CE1 4.22Å; V79-Y643 HydrophobicContact CB-CE1 4.23Å; V79-Y643 HydrophobicContact CG1-CD1 4.45Å; V79-Y643 HydrophobicContact CG1-CE1 3.49Å; V79-Y643 VanDerWaalsContact CG1-CE1 3.49Å; V79-Y643 HydrophobicContact CG1-CE2 4.3Å; V79-Y643 VanDerWaalsContact CG1-CZ 3.42Å; V79-Y643 WeakPolarHBondContact CG1-OH 3.49Å; V79-Y643 HydrophobicContact CG2-CD1 4.31Å; V79-Y643 HydrophobicContact CG2-CE1 4Å; W640-Y643 VanDerWaalsContact O-CB 3.31Å; W640-Y643 WeakPolarHBondContact O-CB 3.35Å; W640-Y643 PolarHBondContact O-N 3.22Å; W641-Y643 VanDerWaalsContact C-N 3.27Å; W641-Y643 PolarHBondContact O-N 2.93Å; Y643-S646 PolarHBondContact O-OG 3.48Å; Y643-L647 HydrophobicContact CD1-CD1 4.48Å; Y643-L647 HydrophobicContact CE1-CD1 4.12Å; Y643-L647 WeakPolarHBondContact O-CD1 3Å
644	F	71.3	Confident	63.9	Low	8 Å²	8	77.8 Å²	77.8	4%	0.035	43%	0.434	C	S	.	.	H	α-helix	trans	-80.6	-20.3	178.1	-62.5	-79.2	0	0	0	113.3	V72 L75 L76 V79 L83 M133 W640 W641 S642 V651 P652 L655	V72-F644 HydrophobicContact CG1-CD1 4.44Å; L75-F644 HydrophobicContact CD2-CD1 3.66Å; L75-F644 HydrophobicContact CD2-CE1 3.82Å; L75-F644 HydrophobicContact CG-CD1 4.46Å; L75-F644 HydrophobicContact CG-CE1 4.13Å; L76-F644 HydrophobicContact CB-CE1 4.24Å; L76-F644 HydrophobicContact CB-CZ 4.29Å; L76-F644 HydrophobicContact CD1-CE1 4.31Å; L76-F644 HydrophobicContact CD1-CE2 4.3Å; L76-F644 HydrophobicContact CD1-CZ 3.54Å; V79-F644 HydrophobicContact CG2-CZ 4.13Å; L83-F644 HydrophobicContact CD1-CE2 4.24Å; L83-F644 HydrophobicContact CD1-CZ 4.32Å; M133-F644 HydrophobicContact CE-CE2 4.27Å; W640-F644 AromaticContact CE3-CD2 3.93Å; W640-F644 HydrophobicContact CE3-CD2 3.93Å; W640-F644 AromaticContact CE3-CE2 3.95Å; W640-F644 HydrophobicContact CE3-CE2 3.95Å; W640-F644 HydrophobicContact CZ3-CD2 4.37Å; W640-F644 WeakPolarHBondContact O-CD2 3.29Å; W641-F644 PolarHBondContact O-N 3.33Å; S642-F644 VanDerWaalsContact C-N 3.32Å; S642-F644 PolarHBondContact O-N 2.59Å; F644-V651 HydrophobicContact CB-CG1 4.38Å; F644-P652 HydrophobicContact CB-CG 3.89Å; F644-P652 HydrophobicContact CD1-CG 4.09Å; F644-P652 HydrophobicContact CG-CG 4Å; F644-L655 HydrophobicContact CD1-CD1 4.44Å; F644-L655 HydrophobicContact CD2-CD1 4.03Å; F644-L655 HydrophobicContact CE1-CD1 4.32Å; F644-L655 HydrophobicContact CE2-CD1 3.9Å; F644-L655 HydrophobicContact CG-CD1 4.31Å; F644-L655 HydrophobicContact CZ-CD1 4.07Å
645	A	67.6	Low	66	Low	46 Å²	46	67.9 Å²	67.9	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-83.1	-25	-179.5	0	0	0	0	0	113.5	W641 S642 V651	W641-A645 WeakPolarHBondContact O-CB 3.27Å; W641-A645 PolarHBondContact O-N 2.98Å; S642-A645 PolarHBondContact O-N 3.02Å; S642-A645 VanDerWaalsContact O-N 3.1Å; A645-V651 HydrophobicContact CB-CG1 4.08Å; A645-V651 HydrophobicContact CB-CG2 4.23Å
646	S	59.3	Low	67.7	Low	93 Å²	93	66 Å²	66	65%	0.65	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-14.2	-177	59.7	0	0	0	0	114.3	S642 Y643 G648	S642-S646 PolarHBondContact O-N 3.06Å; S642-S646 PolarHBondContact O-OG 3.02Å; Y643-S646 PolarHBondContact O-OG 3.48Å; S646-G648 VanDerWaalsContact C-N 3.31Å; S646-G648 PolarHBondContact O-N 3.35Å
647	L	59.9	Low	68.8	Low	96 Å²	96	62.8 Å²	62.8	50%	0.503	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	13.5	-171.7	-69.2	166.1	0	0	0	115.3	L75 Y643 G649	L75-L647 HydrophobicContact CD1-CD1 3.7Å; L75-L647 HydrophobicContact CD2-CD1 3.27Å; L75-L647 HydrophobicContact CG-CD1 4.07Å; Y643-L647 HydrophobicContact CD1-CD1 4.48Å; Y643-L647 HydrophobicContact CE1-CD1 4.12Å; Y643-L647 WeakPolarHBondContact O-CD1 3Å; L647-G649 PolarHBondContact O-N 3.42Å; L647-G649 VanDerWaalsContact O-N 3.13Å
648	G	51.8	Low	68.8	Low	83 Å²	83	67.3 Å²	67.3	86%	0.856	37%	0.374	S	S	*	.	S	Bend	trans	69.7	8.3	171	0	0	0	0	0	116.2	S646	S646-G648 VanDerWaalsContact C-N 3.31Å; S646-G648 PolarHBondContact O-N 3.35Å
649	G	62.8	Low	67.5	Low	42 Å²	42	76 Å²	76	43%	0.433	41%	0.413	S	S	.	.	S	Bend	trans	-106.6	174	176	0	0	0	0	0	113.8	L647 V651	L647-G649 PolarHBondContact O-N 3.42Å; L647-G649 VanDerWaalsContact O-N 3.13Å; G649-V651 PolarHBondContact O-N 2.59Å
650	P	59.4	Low	67.5	Low	123 Å²	123	72.1 Å²	72.1	80%	0.799	41%	0.405	S	S	*	.			trans	-62.7	122.2	173.3	25.2	-31.1	0	0	0	110.4
651	V	65.6	Low	67.1	Low	52 Å²	52	75.8 Å²	75.8	32%	0.315	43%	0.426	S	S	.	.			trans	-70.8	127.1	-173.5	-159.3	0	0	0	0	110.4	W641 F644 A645 G649 T653	W641-V651 HydrophobicContact CD2-CG1 4.36Å; W641-V651 HydrophobicContact CH2-CB 4.17Å; W641-V651 HydrophobicContact CH2-CG1 3.47Å; W641-V651 VanDerWaalsContact CH2-CG1 3.47Å; W641-V651 HydrophobicContact CZ2-CB 3.87Å; W641-V651 HydrophobicContact CZ2-CG1 3.15Å; W641-V651 HydrophobicContact CZ3-CG1 4.25Å; F644-V651 HydrophobicContact CB-CG1 4.38Å; A645-V651 HydrophobicContact CB-CG1 4.08Å; A645-V651 HydrophobicContact CB-CG2 4.23Å; G649-V651 PolarHBondContact O-N 2.59Å; V651-T653 PolarHBondContact O-N 2.73Å
652	P	73.6	Confident	66.6	Low	7 Å²	7	79.2 Å²	79.2	5%	0.045	45%	0.446	C	S	.	.			trans	-75.6	82.2	-173.3	30.7	-38	0	0	0	113	V72 W641 F644 W654 L655	V72-P652 HydrophobicContact CG1-CB 3.73Å; V72-P652 HydrophobicContact CG1-CG 3.68Å; W641-P652 WeakPolarHBondContact CZ3-O 3.17Å; F644-P652 HydrophobicContact CB-CG 3.89Å; F644-P652 HydrophobicContact CD1-CG 4.09Å; F644-P652 HydrophobicContact CG-CG 4Å; P652-W654 HydrophobicContact CB-CD2 4.44Å; P652-W654 HydrophobicContact CB-CZ2 4.1Å; P652-W654 VanDerWaalsContact CB-NE1 3.31Å; P652-W654 PolarHBondContact O-N 3.26Å; P652-W654 VanDerWaalsContact O-N 3.13Å; P652-L655 HydrophobicContact CB-CD1 4.07Å; P652-L655 HydrophobicContact CB-CG 4.32Å; P652-L655 HydrophobicContact CG-CD1 3.61Å; P652-L655 HydrophobicContact CG-CG 4.36Å; P652-L655 WeakPolarHBondContact O-CB 3.48Å; P652-L655 PolarHBondContact O-N 3.02Å; P652-L655 VanDerWaalsContact O-N 3.08Å
653	T	74.4	Confident	66.5	Low	72 Å²	72	79.1 Å²	79.1	44%	0.442	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.6	-178.7	58.8	0	0	0	0	114	W641 V651 L655 L656 H659	W641-T653 HydrophobicContact CH2-CG2 3.77Å; W641-T653 HydrophobicContact CZ2-CG2 4.21Å; V651-T653 PolarHBondContact O-N 2.73Å; T653-L655 PolarHBondContact O-N 2.85Å; T653-L655 VanDerWaalsContact O-N 3.1Å; T653-L656 WeakPolarHBondContact O-CB 3.42Å; T653-L656 PolarHBondContact O-N 2.89Å; T653-H659 PolarHBondContact O-NE2 2.91Å
654	W	81.1	Confident	66.5	Low	79 Å²	79	78.6 Å²	78.6	30%	0.299	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-60.3	-16.9	175.5	61.5	-99.6	0	0	0	114.5	V72 L76 Y137 F138 P652 L656	V72-W654 HydrophobicContact CG1-CZ2 3.96Å; L76-W654 HydrophobicContact CD2-CH2 4.05Å; Y137-W654 AromaticContact CD1-CD2 3.97Å; Y137-W654 HydrophobicContact CD1-CD2 3.97Å; Y137-W654 AromaticContact CD1-CE2 3.85Å; Y137-W654 AromaticContact CD1-CE3 3.92Å; Y137-W654 HydrophobicContact CD1-CE3 3.92Å; Y137-W654 AromaticContact CD1-CH2 3.69Å; Y137-W654 HydrophobicContact CD1-CH2 3.69Å; Y137-W654 AromaticContact CD1-CZ2 3.73Å; Y137-W654 HydrophobicContact CD1-CZ2 3.73Å; Y137-W654 AromaticContact CD1-CZ3 3.78Å; Y137-W654 HydrophobicContact CD1-CZ3 3.78Å; Y137-W654 HydrophobicContact CE1-CH2 4.08Å; Y137-W654 AromaticContact CE1-CZ2 3.77Å; Y137-W654 HydrophobicContact CE1-CZ2 3.77Å; F138-W654 HydrophobicContact CD1-CH2 4.48Å; F138-W654 HydrophobicContact CE1-CH2 4.31Å; P652-W654 HydrophobicContact CB-CD2 4.44Å; P652-W654 HydrophobicContact CB-CZ2 4.1Å; P652-W654 VanDerWaalsContact CB-NE1 3.31Å; P652-W654 PolarHBondContact O-N 3.26Å; P652-W654 VanDerWaalsContact O-N 3.13Å; W654-L656 VanDerWaalsContact C-N 3.26Å; W654-L656 PolarHBondContact O-N 3.16Å
655	L	79.6	Confident	66.1	Low	0 Å²	0	83.3 Å²	83.3	0%	0	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-72.8	-17	174.1	-75.3	172.8	0	0	0	113	L76 M133 A134 W640 F644 P652 T653	L76-L655 HydrophobicContact CD1-CD1 4.44Å; L76-L655 HydrophobicContact CD1-CD2 4.29Å; L76-L655 HydrophobicContact CD2-CD2 3.82Å; M133-L655 HydrophobicContact CE-CD2 4.38Å; M133-L655 HydrophobicContact CG-CD2 3.99Å; M133-L655 HydrophobicContact SD-CD2 3.98Å; A134-L655 PolarHBondContact N-O 3.02Å; W640-L655 HydrophobicContact CH2-CB 3.52Å; W640-L655 VanDerWaalsContact CH2-O 3.31Å; W640-L655 WeakPolarHBondContact CH2-O 3.35Å; W640-L655 HydrophobicContact CZ3-CB 3.56Å; W640-L655 HydrophobicContact CZ3-CD1 4.08Å; W640-L655 HydrophobicContact CZ3-CG 4.44Å; F644-L655 HydrophobicContact CD1-CD1 4.44Å; F644-L655 HydrophobicContact CD2-CD1 4.03Å; F644-L655 HydrophobicContact CE1-CD1 4.32Å; F644-L655 HydrophobicContact CE2-CD1 3.9Å; F644-L655 HydrophobicContact CG-CD1 4.31Å; F644-L655 HydrophobicContact CZ-CD1 4.07Å; P652-L655 HydrophobicContact CB-CD1 4.07Å; P652-L655 HydrophobicContact CB-CG 4.32Å; P652-L655 HydrophobicContact CG-CD1 3.61Å; P652-L655 HydrophobicContact CG-CG 4.36Å; P652-L655 WeakPolarHBondContact O-CB 3.48Å; P652-L655 PolarHBondContact O-N 3.02Å; P652-L655 VanDerWaalsContact O-N 3.08Å; T653-L655 PolarHBondContact O-N 2.85Å; T653-L655 VanDerWaalsContact O-N 3.1Å
656	L	81	Confident	66	Low	24 Å²	24	85.9 Å²	85.9	13%	0.126	48%	0.479	C	S	.	.	B	Isolated β-bridge	trans	-81.4	130.6	-178.4	-64.1	169.4	0	0	0	110.8	P638 W640 W641 T653 W654 R658	P638-L656 HydrophobicContact CG-CD2 4Å; W640-L656 HydrophobicContact CH2-CD2 3.73Å; W640-L656 HydrophobicContact CH2-CG 4.31Å; W640-L656 HydrophobicContact CZ2-CD2 4.21Å; W641-L656 HydrophobicContact CD2-CD1 4.33Å; W641-L656 HydrophobicContact CD2-CD2 4.19Å; W641-L656 HydrophobicContact CD2-CG 4.46Å; W641-L656 HydrophobicContact CE3-CD1 3.86Å; W641-L656 HydrophobicContact CE3-CD2 3.56Å; W641-L656 HydrophobicContact CE3-CG 3.62Å; W641-L656 HydrophobicContact CH2-CD1 3.93Å; W641-L656 HydrophobicContact CH2-CG 4.32Å; W641-L656 HydrophobicContact CZ2-CD1 4.31Å; W641-L656 HydrophobicContact CZ3-CD1 3.66Å; W641-L656 HydrophobicContact CZ3-CD2 4.06Å; W641-L656 HydrophobicContact CZ3-CG 3.55Å; T653-L656 WeakPolarHBondContact O-CB 3.42Å; T653-L656 PolarHBondContact O-N 2.89Å; W654-L656 VanDerWaalsContact C-N 3.26Å; W654-L656 PolarHBondContact O-N 3.16Å; L656-R658 PolarHBondContact O-N 3.13Å
657	K	69.7	Low	66.6	Low	116 Å²	116	85.4 Å²	85.4	50%	0.504	47%	0.466	S	S	.	.	S	Bend	trans	-71.6	-12.6	177.9	-159	175.8	-175.9	174.5	0	113.5	E129	E129-K657 IonicContact OE1-NZ 2.77Å; E129-K657 PolarHBondContact OE1-NZ 2.84Å
658	R	61.6	Low	67.1	Low	217 Å²	217	84.5 Å²	84.5	82%	0.819	46%	0.463	S	S	*	.			trans	-125.2	114.5	178.1	-66.8	-173.7	-178.1	-177.9	3.1	110.6	L656	L656-R658 PolarHBondContact O-N 3.13Å
659	H	44.8	Very low	68.5	Low	199 Å²	199	84.6 Å²	84.6	92%	0.921	43%	0.428	S	S	*	.			trans	-114.7	0	168.9	-98.4	-47.5	0	0	0	110.5	T653	T653-H659 PolarHBondContact O-NE2 2.91Å

Retrieved 659 of 659 residues in 961.8 ms (Link to these results)

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