A0A5K4FBB9_SCHMA Loading...

ATP synthase mitochondrial F1 complex assembly factor 2

AlphaFold DB , UniProt , Accession A0A5K4FBB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	36.4	Very low	233 Å²	233	148.4 Å²	148.4	100%	1.148	81%	0.81	S	S	*	*				0	34.4	0	-153.4	178	-172.9	0	0	113.1
2	F	37	Very low	36.3	Very low	215 Å²	215	149.9 Å²	149.9	94%	0.943	82%	0.815	S	S	*	*			trans	-148.6	100.9	167.8	-79.3	-78.9	0	0	0	108.1
3	S	37	Very low	36.1	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	81%	0.812	S	S	*	*			trans	-111.6	113	169	-171.8	0	0	0	0	107.8	T5	S3-T5 PolarHBondContact O-N 3.44Å
4	K	35.9	Very low	36.3	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	80%	0.803	S	S	*	*			trans	-76.2	102.4	173.5	-74.8	174.8	173.3	176.7	0	108.2
5	T	38.9	Very low	36.4	Very low	120 Å²	120	153.8 Å²	153.8	74%	0.736	81%	0.811	S	S	*	*			trans	-89.7	104.5	166.5	30.5	0	0	0	0	109.8	S3 I7	S3-T5 PolarHBondContact O-N 3.44Å; T5-I7 PolarHBondContact O-N 2.87Å
6	F	37.4	Very low	36.4	Very low	204 Å²	204	159.9 Å²	159.9	90%	0.895	82%	0.819	S	S	*	*			trans	-55	116.9	162.9	-107.1	-108.2	0	0	0	109.4
7	I	39.3	Very low	36.6	Very low	163 Å²	163	153.4 Å²	153.4	84%	0.836	80%	0.802	S	S	*	*			trans	-94.6	105.5	166	-62.9	172.3	0	0	0	106.8	T5	T5-I7 PolarHBondContact O-N 2.87Å
8	S	34.4	Very low	37.1	Very low	89 Å²	89	151.6 Å²	151.6	62%	0.622	80%	0.801	S	S	*	*			trans	-55.5	132.8	175.4	167.7	0	0	0	0	111.6	S10	S8-S10 PolarHBondContact O-N 2.81Å; S8-S10 VanDerWaalsContact O-N 3.13Å
9	S	37.2	Very low	37.4	Very low	126 Å²	126	156.8 Å²	156.8	88%	0.881	81%	0.808	S	S	*	*			trans	-69.9	98.1	170.2	-169.5	0	0	0	0	109.4
10	S	35.9	Very low	37.7	Very low	101 Å²	101	160.5 Å²	160.5	71%	0.706	81%	0.811	S	S	*	*			trans	-132.1	95.6	167.7	51	0	0	0	0	110.1	S8	S8-S10 PolarHBondContact O-N 2.81Å; S8-S10 VanDerWaalsContact O-N 3.13Å
11	S	33.6	Very low	38.1	Very low	74 Å²	74	156.7 Å²	156.7	52%	0.517	80%	0.799	S	S	.	*			trans	63.5	95.7	146.3	-145.4	0	0	0	0	118.2	Y13	S11-Y13 PolarHBondContact O-N 3.21Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.47Å; S11-Y13 WeakPolarHBondContact OG-CE2 3.17Å
12	L	34.9	Very low	39.1	Very low	167 Å²	167	153.9 Å²	153.9	87%	0.874	79%	0.788	S	S	*	*			trans	-61.5	72.1	152.7	-77	147	0	0	0	110	C14	L12-C14 PolarHBondContact O-N 2.73Å
13	Y	33.4	Very low	40.1	Very low	197 Å²	197	152 Å²	152	77%	0.773	78%	0.78	S	S	*	*			trans	-76.2	73	156.5	-75.6	-72.9	0	0	0	107.7	S11 F15	S11-Y13 PolarHBondContact O-N 3.21Å; S11-Y13 WeakPolarHBondContact OG-CD2 3.47Å; S11-Y13 WeakPolarHBondContact OG-CE2 3.17Å; Y13-F15 PolarHBondContact O-N 2.83Å
14	C	39.3	Very low	41.6	Very low	102 Å²	102	151.4 Å²	151.4	69%	0.689	78%	0.776	S	S	*	*			trans	-59.4	110.4	163.2	-82.3	0	0	0	0	107.7	L12 R16	L12-C14 PolarHBondContact O-N 2.73Å; C14-R16 PolarHBondContact O-N 2.97Å; C14-R16 VanDerWaalsContact O-N 3.08Å
15	F	37.9	Very low	43.6	Very low	209 Å²	209	146.5 Å²	146.5	92%	0.917	77%	0.772	S	S	*	*			trans	-40.8	113.1	171.9	-88.3	-100.5	0	0	0	110.9	Y13 G17	Y13-F15 PolarHBondContact O-N 2.83Å; F15-G17 PolarHBondContact O-N 3.13Å
16	R	36.2	Very low	45.7	Very low	251 Å²	251	144.6 Å²	144.6	95%	0.947	76%	0.755	S	S	*	*			trans	-71.6	76.4	164.6	-78.6	-176.2	168.8	-177	-2.4	108.7	C14	C14-R16 PolarHBondContact O-N 2.97Å; C14-R16 VanDerWaalsContact O-N 3.08Å
17	G	39.3	Very low	48.2	Very low	50 Å²	50	137.2 Å²	137.2	52%	0.515	73%	0.728	S	S	.	*			trans	-63.7	150.5	157.4	0	0	0	0	0	109.5	F15 R19	F15-G17 PolarHBondContact O-N 3.13Å; G17-R19 PolarHBondContact O-N 2.92Å
18	P	46.7	Very low	50.8	Low	121 Å²	121	137.8 Å²	137.8	79%	0.786	72%	0.724	S	S	*	*			trans	-55.9	127.3	178.4	22.4	-31	0	0	0	108.8	R20	P18-R20 PolarHBondContact O-N 3.32Å
19	R	42.7	Very low	53.7	Low	250 Å²	250	136.5 Å²	136.5	94%	0.943	71%	0.707	S	S	*	*			trans	-56.4	90.4	172	-80.2	-174.4	175.4	-170.4	-1.4	107.6	G17 S21	G17-R19 PolarHBondContact O-N 2.92Å; R19-S21 VanDerWaalsContact C-N 3.28Å; R19-S21 PolarHBondContact O-N 2.85Å
20	R	44.2	Very low	56.5	Low	231 Å²	231	136.9 Å²	136.9	87%	0.872	69%	0.693	S	S	*	*			trans	-62.4	102.8	160.7	-75.8	-176.6	174	174.6	-1.4	104.3	P18 L22	P18-R20 PolarHBondContact O-N 3.32Å; R20-L22 PolarHBondContact O-N 3.34Å; R20-L22 VanDerWaalsContact O-N 3.08Å
21	S	45.7	Very low	59.4	Low	80 Å²	80	132.7 Å²	132.7	56%	0.559	66%	0.662	S	S	*	*			trans	-44.3	119.6	165.9	162.9	0	0	0	0	107.2	R19 F23	R19-S21 VanDerWaalsContact C-N 3.28Å; R19-S21 PolarHBondContact O-N 2.85Å; S21-F23 PolarHBondContact O-N 3.26Å; S21-F23 VanDerWaalsContact O-N 3.14Å; S21-F23 PolarHBondContact OG-N 2.85Å; S21-F23 PolarHBondContact OG-O 3.5Å
22	L	53.7	Low	62.3	Low	175 Å²	175	136.8 Å²	136.8	92%	0.916	67%	0.67	S	S	*	*	S	Bend	trans	-60.8	-18.2	175.5	-73.8	166.6	0	0	0	111.3	R20	R20-L22 PolarHBondContact O-N 3.34Å; R20-L22 VanDerWaalsContact O-N 3.08Å
23	F	59.4	Low	65.2	Low	174 Å²	174	133.1 Å²	133.1	76%	0.763	65%	0.652	S	S	*	*	S	Bend	trans	-85	114.1	171.4	-53.2	-72.9	0	0	0	109.4	S21 A25	S21-F23 PolarHBondContact O-N 3.26Å; S21-F23 VanDerWaalsContact O-N 3.14Å; S21-F23 PolarHBondContact OG-N 2.85Å; S21-F23 PolarHBondContact OG-O 3.5Å; F23-A25 PolarHBondContact O-N 3.26Å
24	S	66.9	Low	68.3	Low	99 Å²	99	125 Å²	125	69%	0.692	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.9	163.8	56.4	0	0	0	0	107.9	Q26	S24-Q26 PolarHBondContact O-N 2.92Å
25	A	78.4	Confident	71	Confident	94 Å²	94	122.8 Å²	122.8	78%	0.777	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-59.8	134.2	178	0	0	0	0	0	109.3	F23	F23-A25 PolarHBondContact O-N 3.26Å
26	Q	84.2	Confident	73.8	Confident	80 Å²	80	115.9 Å²	115.9	37%	0.374	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-61.1	134.9	174.6	-61.5	-60.6	-43.6	0	0	109.1	S24 I88	S24-Q26 PolarHBondContact O-N 2.92Å; Q26-I88 PolarHBondContact OE1-O 3.08Å
27	P	89.9	Confident	76.7	Confident	49 Å²	49	109.1 Å²	109.1	32%	0.318	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-66.2	139.8	-177.8	24.6	-29.2	0	0	0	110.3	T87 I88	P27-T87 CarbonylContact O-C 3.6Å; P27-T87 WeakPolarHBondContact O-CA 3.31Å; P27-I88 HydrophobicContact CG-CB 4.23Å; P27-I88 PolarHBondContact O-N 3.38Å
28	K	94	Very high	79.4	Confident	174 Å²	174	112.3 Å²	112.3	76%	0.757	56%	0.557	S	S	*	*	B	Isolated β-bridge	trans	-62.1	144.1	173	-68.6	-173.1	177.5	-175.4	0	110.1	F30 D86	K28-F30 PolarHBondContact O-N 2.57Å; K28-D86 WeakPolarHBondContact CA-O 3.13Å
29	K	94.4	Very high	81.6	Confident	62 Å²	62	107.6 Å²	107.6	27%	0.27	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-58.4	128.7	171.3	-174.3	178.7	-177	176	0	108.5	Y31 Q84 V85 D86	K29-Y31 HydrophobicContact CD-CE2 4.44Å; K29-Y31 VanDerWaalsContact CE-CE2 3.45Å; K29-Y31 WeakPolarHBondContact CE-O 3.42Å; K29-Y31 HydrophobicContact CG-CD1 4.22Å; K29-Y31 HydrophobicContact CG-CE1 3.96Å; K29-Y31 HydrophobicContact CG-CE2 4.37Å; K29-Q84 HydrophobicContact CD-CB 4.34Å; K29-Q84 WeakPolarHBondContact CD-O 3.34Å; K29-Q84 WeakPolarHBondContact CE-O 3.43Å; K29-Q84 PolarHBondContact NZ-O 2.92Å; K29-V85 VanDerWaalsContact CB-O 3.31Å; K29-V85 WeakPolarHBondContact CB-O 3.02Å; K29-V85 WeakPolarHBondContact CD-O 3.28Å; K29-D86 PolarHBondContact N-O 2.78Å
30	F	95.3	Very high	84	Confident	135 Å²	135	102 Å²	102	59%	0.592	52%	0.521	S	S	*	.			trans	-121	8.8	-173.1	61.5	-97.5	0	0	0	113.2	K28 L53 I88	K28-F30 PolarHBondContact O-N 2.57Å; F30-L53 HydrophobicContact CE2-CD1 4.09Å; F30-L53 HydrophobicContact CZ-CD1 4.03Å; F30-I88 HydrophobicContact CD1-CD1 3.68Å; F30-I88 HydrophobicContact CE1-CD1 3.4Å; F30-I88 VanDerWaalsContact CE1-CD1 3.4Å; F30-I88 HydrophobicContact CZ-CD1 4.42Å
31	Y	96.4	Very high	86.2	Confident	12 Å²	12	93.9 Å²	93.9	5%	0.047	49%	0.493	C	S	.	.			trans	-132.9	155.4	-179.1	58.3	-87.1	0	0	0	110.6	K29 V34 L53 D54 W81 Q84 I88	K29-Y31 HydrophobicContact CD-CE2 4.44Å; K29-Y31 VanDerWaalsContact CE-CE2 3.45Å; K29-Y31 WeakPolarHBondContact CE-O 3.42Å; K29-Y31 HydrophobicContact CG-CD1 4.22Å; K29-Y31 HydrophobicContact CG-CE1 3.96Å; K29-Y31 HydrophobicContact CG-CE2 4.37Å; Y31-V34 HydrophobicContact CD2-CG2 3.9Å; Y31-V34 HydrophobicContact CE2-CG2 3.64Å; Y31-L53 HydrophobicContact CD1-CB 4.36Å; Y31-L53 HydrophobicContact CD1-CD1 3.84Å; Y31-L53 HydrophobicContact CD1-CD2 4.3Å; Y31-L53 HydrophobicContact CD1-CG 4.4Å; Y31-L53 HydrophobicContact CD2-CD2 3.91Å; Y31-L53 HydrophobicContact CE1-CD1 4.13Å; Y31-L53 HydrophobicContact CE1-CD2 4.44Å; Y31-L53 HydrophobicContact CE2-CD2 4.06Å; Y31-L53 HydrophobicContact CG-CB 3.99Å; Y31-L53 HydrophobicContact CG-CD1 4.26Å; Y31-L53 HydrophobicContact CG-CD2 4.05Å; Y31-L53 HydrophobicContact CG-CG 4.32Å; Y31-D54 WeakPolarHBondContact CA-OD2 3.36Å; Y31-W81 AromaticContact CE1-CE3 3.68Å; Y31-W81 HydrophobicContact CE1-CE3 3.68Å; Y31-W81 AromaticContact CE1-CZ3 3.96Å; Y31-W81 HydrophobicContact CE1-CZ3 3.96Å; Y31-W81 WeakPolarHBondContact CE2-O 3.29Å; Y31-W81 AromaticContact CZ-CE3 3.67Å; Y31-W81 PolarHBondContact OH-O 3.18Å; Y31-Q84 WeakPolarHBondContact OH-CB 2.99Å; Y31-Q84 VanDerWaalsContact OH-CG 3.29Å; Y31-Q84 WeakPolarHBondContact OH-CG 3.43Å; Y31-I88 HydrophobicContact CE1-CD1 3.99Å; Y31-I88 HydrophobicContact CE1-CG1 4.25Å
32	K	95	Very high	88.2	Confident	160 Å²	160	99.4 Å²	99.4	70%	0.696	51%	0.51	S	S	*	.	S	Bend	trans	-105.9	-44.5	176.7	-171.4	176	-178.6	179.7	0	112.7	D54	K32-D54 VanDerWaalsContact N-CG 3.29Å; K32-D54 PolarHBondContact N-OD1 2.86Å; K32-D54 VanDerWaalsContact N-OD1 3.13Å; K32-D54 PolarHBondContact N-OD2 3.37Å
33	N	96.2	Very high	89.7	Confident	91 Å²	91	97.5 Å²	97.5	49%	0.487	50%	0.5	S	S	.	.			trans	-117.4	138.1	-174.8	-52.8	-73.4	0	0	0	111.1	D54	N33-D54 PolarHBondContact N-OD1 3.23Å; N33-D54 PolarHBondContact ND2-OD1 2.96Å; N33-D54 PolarHBondContact O-N 3.45Å
34	V	97.6	Very high	90.9	Very high	27 Å²	27	92.3 Å²	92.3	16%	0.164	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.7	171.4	-172.3	0	0	0	0	108.5	Y31 I51 L52 L53 A78 W81 D82	Y31-V34 HydrophobicContact CD2-CG2 3.9Å; Y31-V34 HydrophobicContact CE2-CG2 3.64Å; V34-I51 HydrophobicContact CG1-CG2 3.72Å; V34-L52 WeakPolarHBondContact CA-O 3.29Å; V34-L53 HydrophobicContact CB-CD2 4.48Å; V34-L53 HydrophobicContact CG1-CD2 4.17Å; V34-L53 HydrophobicContact CG2-CD2 3.84Å; V34-A78 HydrophobicContact CG1-CB 3.83Å; V34-W81 HydrophobicContact CG1-CB 4.16Å; V34-W81 HydrophobicContact CG2-CB 3.94Å; V34-D82 HydrophobicContact CB-CB 4.37Å; V34-D82 HydrophobicContact CG2-CB 4.13Å
35	T	97.2	Very high	91.8	Very high	55 Å²	55	97.6 Å²	97.6	34%	0.337	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.5	178.5	59	0	0	0	0	111.1	L52	T35-L52 PolarHBondContact N-O 3.08Å; T35-L52 PolarHBondContact O-N 2.7Å
36	I	97.5	Very high	92.2	Very high	64 Å²	64	99.1 Å²	99.1	33%	0.328	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.1	177.5	-60.6	165.6	0	0	0	107.8	F49 Q50 A74 V75 A78	I36-F49 HydrophobicContact CG2-CB 4.07Å; I36-F49 HydrophobicContact CG2-CD1 4.07Å; I36-Q50 WeakPolarHBondContact CA-O 3.43Å; I36-A74 HydrophobicContact CD1-CB 4.26Å; I36-A74 HydrophobicContact CG2-CB 4.04Å; I36-V75 HydrophobicContact CD1-CB 4.27Å; I36-V75 HydrophobicContact CD1-CG2 3.69Å; I36-A78 HydrophobicContact CD1-CB 3.86Å; I36-A78 HydrophobicContact CG1-CB 3.84Å
37	F	95.8	Very high	92.6	Very high	109 Å²	109	97.5 Å²	97.5	48%	0.478	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.4	177	-179.6	-105.5	0	0	0	110	F49 Q50 L52	F37-F49 WeakPolarHBondContact O-CA 3.37Å; F37-Q50 PolarHBondContact N-O 3.17Å; F37-Q50 PolarHBondContact O-N 2.74Å; F37-L52 HydrophobicContact CB-CD1 3.27Å; F37-L52 HydrophobicContact CG-CD1 4.3Å
38	Q	95.8	Very high	92.8	Very high	116 Å²	116	95.1 Å²	95.1	54%	0.542	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.2	175.2	-171	-179.5	-38.8	0	0	109.8	P47 F49	Q38-P47 HydrophobicContact CG-CB 3.55Å; Q38-P47 HydrophobicContact CG-CG 4.34Å; Q38-P47 VanDerWaalsContact NE2-CB 3.26Å; Q38-F49 HydrophobicContact CB-CD1 4.29Å; Q38-F49 HydrophobicContact CB-CE1 4.21Å; Q38-F49 HydrophobicContact CG-CD1 4.34Å; Q38-F49 HydrophobicContact CG-CE1 3.95Å; Q38-F49 HydrophobicContact CG-CZ 4.45Å
39	S	93.6	Very high	92.9	Very high	22 Å²	22	87.7 Å²	87.7	15%	0.154	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.5	176.5	64.4	0	0	0	0	111.4	P47 V48	S39-P47 WeakPolarHBondContact O-CA 3.27Å; S39-V48 PolarHBondContact N-O 3.02Å; S39-V48 WeakPolarHBondContact O-CG2 3.43Å; S39-V48 PolarHBondContact O-N 3.08Å; S39-V48 VanDerWaalsContact O-O 3.06Å; S39-V48 WeakPolarHBondContact OG-CG2 2.86Å
40	T	92.9	Very high	93	Very high	133 Å²	133	85.4 Å²	85.4	82%	0.816	42%	0.416	S	S	*	.			trans	-88	153.2	167.8	49.8	0	0	0	0	110.2
41	H	90.1	Very high	93.1	Very high	60 Å²	60	79 Å²	79	28%	0.278	39%	0.388	S	S	.	.			trans	-146.3	138	177.5	-171.3	-76.4	0	0	0	109.5	N43 Y44 V48 H67	H41-N43 VanDerWaalsContact C-N 3.29Å; H41-N43 PolarHBondContact ND1-N 3.29Å; H41-N43 PolarHBondContact O-N 3.48Å; H41-Y44 HydrophobicContact CB-CD2 4.05Å; H41-Y44 AromaticContact ND1-CD2 3.72Å; H41-Y44 PolarHBondContact O-N 2.94Å; H41-Y44 VanDerWaalsContact O-O 3.05Å; H41-V48 HydrophobicContact CB-CB 4.41Å; H41-V48 HydrophobicContact CB-CG1 3.8Å; H41-V48 HydrophobicContact CB-CG2 3.67Å; H41-H67 AromaticContact CD2-CE1 3.97Å; H41-H67 AromaticContact CD2-NE2 3.87Å; H41-H67 AromaticContact NE2-CE1 3.66Å; H41-H67 AromaticContact NE2-NE2 3.75Å
42	E	87.1	Confident	93.1	Very high	196 Å²	196	79.2 Å²	79.2	92%	0.916	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.8	-170.5	-63.4	174.9	-176.3	0	0	113.1	Y44	E42-Y44 PolarHBondContact O-N 2.86Å
43	N	85.1	Confident	93.2	Very high	135 Å²	135	72 Å²	72	72%	0.722	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.3	179.4	-62.1	-14.9	0	0	0	114.9	H41	H41-N43 VanDerWaalsContact C-N 3.29Å; H41-N43 PolarHBondContact ND1-N 3.29Å; H41-N43 PolarHBondContact O-N 3.48Å
44	Y	85.5	Confident	93.2	Very high	66 Å²	66	70.8 Å²	70.8	26%	0.259	35%	0.353	S	S	.	.			trans	-127.2	131.4	-173.5	-64	-85.4	0	0	0	111.8	H41 E42 H46 V48 H67 P69 W189	H41-Y44 HydrophobicContact CB-CD2 4.05Å; H41-Y44 AromaticContact ND1-CD2 3.72Å; H41-Y44 PolarHBondContact O-N 2.94Å; H41-Y44 VanDerWaalsContact O-O 3.05Å; E42-Y44 PolarHBondContact O-N 2.86Å; Y44-H46 VanDerWaalsContact C-N 3.27Å; Y44-H46 WeakPolarHBondContact CB-O 3.4Å; Y44-H46 PolarHBondContact O-N 2.82Å; Y44-V48 HydrophobicContact CD1-CG1 4.4Å; Y44-V48 HydrophobicContact CD2-CG1 3.39Å; Y44-V48 HydrophobicContact CE2-CG1 3.98Å; Y44-V48 HydrophobicContact CG-CG1 3.62Å; Y44-H67 AromaticContact CE2-CD2 3.88Å; Y44-H67 AromaticContact CE2-NE2 3.64Å; Y44-P69 HydrophobicContact CD1-CB 3.96Å; Y44-P69 HydrophobicContact CE1-CB 3.64Å; Y44-P69 HydrophobicContact CE1-CG 4.22Å; Y44-W189 PolarHBondContact OH-NE1 2.99Å
45	K	85.5	Confident	92.9	Very high	210 Å²	210	76.4 Å²	76.4	91%	0.913	38%	0.377	S	S	*	.	S	Bend	trans	-72.9	-22.1	174.6	-63.6	-175.9	179.8	-178.9	0	113.2
46	H	87.6	Confident	92.9	Very high	125 Å²	125	83 Å²	83	58%	0.579	40%	0.396	S	S	*	.	S	Bend	trans	-109.9	158.1	179.7	-65	-60.3	0	0	0	109.6	Y44	Y44-H46 VanDerWaalsContact C-N 3.27Å; Y44-H46 WeakPolarHBondContact CB-O 3.4Å; Y44-H46 PolarHBondContact O-N 2.82Å
47	P	91.5	Very high	92.8	Very high	46 Å²	46	84.8 Å²	84.8	30%	0.299	40%	0.401	S	S	.	.			trans	-57.3	144.5	175.6	25.1	-35.8	0	0	0	111.5	Q38 S39	Q38-P47 HydrophobicContact CG-CB 3.55Å; Q38-P47 HydrophobicContact CG-CG 4.34Å; Q38-P47 VanDerWaalsContact NE2-CB 3.26Å; S39-P47 WeakPolarHBondContact O-CA 3.27Å
48	V	94.4	Very high	92.8	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	161	169.4	-58.3	0	0	0	0	109.7	S39 H41 Y44 H67 V68	S39-V48 PolarHBondContact N-O 3.02Å; S39-V48 WeakPolarHBondContact O-CG2 3.43Å; S39-V48 PolarHBondContact O-N 3.08Å; S39-V48 VanDerWaalsContact O-O 3.06Å; S39-V48 WeakPolarHBondContact OG-CG2 2.86Å; H41-V48 HydrophobicContact CB-CB 4.41Å; H41-V48 HydrophobicContact CB-CG1 3.8Å; H41-V48 HydrophobicContact CB-CG2 3.67Å; Y44-V48 HydrophobicContact CD1-CG1 4.4Å; Y44-V48 HydrophobicContact CD2-CG1 3.39Å; Y44-V48 HydrophobicContact CE2-CG1 3.98Å; Y44-V48 HydrophobicContact CG-CG1 3.62Å; V48-H67 HydrophobicContact CB-CB 4.36Å; V48-H67 HydrophobicContact CG2-CB 4.17Å; V48-V68 WeakPolarHBondContact CA-O 3.38Å
49	F	96.5	Very high	92.7	Very high	17 Å²	17	82.3 Å²	82.3	8%	0.075	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125	-177.9	-59.2	-88.5	0	0	0	109.4	I36 F37 Q38 H67 V68 Q71 A74	I36-F49 HydrophobicContact CG2-CB 4.07Å; I36-F49 HydrophobicContact CG2-CD1 4.07Å; F37-F49 WeakPolarHBondContact O-CA 3.37Å; Q38-F49 HydrophobicContact CB-CD1 4.29Å; Q38-F49 HydrophobicContact CB-CE1 4.21Å; Q38-F49 HydrophobicContact CG-CD1 4.34Å; Q38-F49 HydrophobicContact CG-CE1 3.95Å; Q38-F49 HydrophobicContact CG-CZ 4.45Å; F49-H67 CarbonylContact O-C 3.53Å; F49-H67 VanDerWaalsContact O-CA 3.28Å; F49-H67 WeakPolarHBondContact O-CA 3.43Å; F49-V68 HydrophobicContact CB-CG2 4.09Å; F49-V68 PolarHBondContact N-O 2.9Å; F49-V68 PolarHBondContact O-N 3.13Å; F49-Q71 HydrophobicContact CD1-CB 4.32Å; F49-Q71 HydrophobicContact CD1-CG 4.18Å; F49-Q71 HydrophobicContact CD2-CB 4.21Å; F49-Q71 HydrophobicContact CE1-CB 3.85Å; F49-Q71 HydrophobicContact CE1-CG 3.78Å; F49-Q71 HydrophobicContact CE2-CB 3.75Å; F49-Q71 HydrophobicContact CG-CB 4.49Å; F49-Q71 HydrophobicContact CZ-CB 3.55Å; F49-Q71 HydrophobicContact CZ-CG 4.01Å; F49-A74 HydrophobicContact CB-CB 3.47Å; F49-A74 VanDerWaalsContact CB-CB 3.47Å; F49-A74 HydrophobicContact CG-CB 4.12Å
50	Q	96.4	Very high	92.8	Very high	14 Å²	14	81.6 Å²	81.6	7%	0.065	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.8	176.4	-65.4	-175.8	-15.5	0	0	109.8	I36 F37 L52 H67	I36-Q50 WeakPolarHBondContact CA-O 3.43Å; F37-Q50 PolarHBondContact N-O 3.17Å; F37-Q50 PolarHBondContact O-N 2.74Å; Q50-L52 HydrophobicContact CB-CD1 4.42Å; Q50-H67 HydrophobicContact CG-CB 3.98Å
51	I	97.1	Very high	92.6	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131	175.9	-58.3	175.3	0	0	0	108.2	V34 L58 F66 V77	V34-I51 HydrophobicContact CG1-CG2 3.72Å; I51-L58 HydrophobicContact CB-CB 4.31Å; I51-L58 HydrophobicContact CB-CD2 4.2Å; I51-L58 HydrophobicContact CG2-CD2 4.33Å; I51-L58 WeakPolarHBondContact O-CB 3.31Å; I51-L58 PolarHBondContact O-N 2.91Å; I51-F66 HydrophobicContact CD1-CD1 3.98Å; I51-F66 HydrophobicContact CD1-CE1 3.6Å; I51-F66 HydrophobicContact CD1-CZ 4.48Å; I51-F66 HydrophobicContact CG1-CD1 4.26Å; I51-F66 HydrophobicContact CG1-CE1 4.29Å; I51-V77 HydrophobicContact CD1-CB 3.53Å; I51-V77 HydrophobicContact CD1-CG1 3.15Å
52	L	97.3	Very high	92.7	Very high	17 Å²	17	81.9 Å²	81.9	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.9	177.8	-68.3	80.9	0	0	0	109.7	V34 T35 F37 Q50 R56	V34-L52 WeakPolarHBondContact CA-O 3.29Å; T35-L52 PolarHBondContact N-O 3.08Å; T35-L52 PolarHBondContact O-N 2.7Å; F37-L52 HydrophobicContact CB-CD1 3.27Å; F37-L52 HydrophobicContact CG-CD1 4.3Å; Q50-L52 HydrophobicContact CB-CD1 4.42Å; L52-R56 CarbonylContact C-O 3.55Å; L52-R56 VanDerWaalsContact CA-O 3.27Å; L52-R56 WeakPolarHBondContact CA-O 3.41Å
53	L	97	Very high	93	Very high	9 Å²	9	74.4 Å²	74.4	5%	0.047	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.5	172.4	-56.1	-178.7	0	0	0	107.5	F30 Y31 V34 Q55 R56 L58 W81	F30-L53 HydrophobicContact CE2-CD1 4.09Å; F30-L53 HydrophobicContact CZ-CD1 4.03Å; Y31-L53 HydrophobicContact CD1-CB 4.36Å; Y31-L53 HydrophobicContact CD1-CD1 3.84Å; Y31-L53 HydrophobicContact CD1-CD2 4.3Å; Y31-L53 HydrophobicContact CD1-CG 4.4Å; Y31-L53 HydrophobicContact CD2-CD2 3.91Å; Y31-L53 HydrophobicContact CE1-CD1 4.13Å; Y31-L53 HydrophobicContact CE1-CD2 4.44Å; Y31-L53 HydrophobicContact CE2-CD2 4.06Å; Y31-L53 HydrophobicContact CG-CB 3.99Å; Y31-L53 HydrophobicContact CG-CD1 4.26Å; Y31-L53 HydrophobicContact CG-CD2 4.05Å; Y31-L53 HydrophobicContact CG-CG 4.32Å; V34-L53 HydrophobicContact CB-CD2 4.48Å; V34-L53 HydrophobicContact CG1-CD2 4.17Å; V34-L53 HydrophobicContact CG2-CD2 3.84Å; L53-Q55 VanDerWaalsContact C-N 3.28Å; L53-Q55 PolarHBondContact O-N 3.14Å; L53-R56 PolarHBondContact N-O 3.47Å; L53-R56 WeakPolarHBondContact O-CB 3.33Å; L53-R56 PolarHBondContact O-N 3.25Å; L53-L58 HydrophobicContact CD1-CD1 4.01Å; L53-W81 HydrophobicContact CD1-CD2 4.42Å; L53-W81 HydrophobicContact CD1-CE3 3.78Å; L53-W81 HydrophobicContact CD1-CZ3 3.83Å; L53-W81 HydrophobicContact CD2-CB 4.21Å; L53-W81 HydrophobicContact CD2-CD2 4.28Å; L53-W81 HydrophobicContact CD2-CE3 4.1Å; L53-W81 HydrophobicContact CD2-CG 4.32Å
54	D	96	Very high	93.3	Very high	65 Å²	65	71.4 Å²	71.4	35%	0.348	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	49.7	-172.2	-68.6	-25.4	0	0	0	113.3	Y31 K32 N33 R56	Y31-D54 WeakPolarHBondContact CA-OD2 3.36Å; K32-D54 VanDerWaalsContact N-CG 3.29Å; K32-D54 PolarHBondContact N-OD1 2.86Å; K32-D54 VanDerWaalsContact N-OD1 3.13Å; K32-D54 PolarHBondContact N-OD2 3.37Å; N33-D54 PolarHBondContact N-OD1 3.23Å; N33-D54 PolarHBondContact ND2-OD1 2.96Å; N33-D54 PolarHBondContact O-N 3.45Å; D54-R56 PolarHBondContact O-N 3.25Å
55	Q	92	Very high	93.8	Very high	146 Å²	146	72 Å²	72	68%	0.682	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	4.7	-177.9	-46.1	-60.8	-6.1	0	0	116	L53	L53-Q55 VanDerWaalsContact C-N 3.28Å; L53-Q55 PolarHBondContact O-N 3.14Å
56	R	95.4	Very high	94.3	Very high	194 Å²	194	62.1 Å²	62.1	73%	0.732	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.6	172.1	-60.6	-178.4	178.5	-179.9	-0.1	110.2	L52 L53 D54 L58	L52-R56 CarbonylContact C-O 3.55Å; L52-R56 VanDerWaalsContact CA-O 3.27Å; L52-R56 WeakPolarHBondContact CA-O 3.41Å; L53-R56 PolarHBondContact N-O 3.47Å; L53-R56 WeakPolarHBondContact O-CB 3.33Å; L53-R56 PolarHBondContact O-N 3.25Å; D54-R56 PolarHBondContact O-N 3.25Å; R56-L58 PolarHBondContact O-N 2.9Å
57	K	95.3	Very high	94.7	Very high	100 Å²	100	57 Å²	57	44%	0.435	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	127.3	176.2	-65.9	-179.5	178.5	-179.5	0	110.3
58	L	96.1	Very high	94.8	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.6	169.9	-179.4	63.5	0	0	0	109.7	I51 L53 R56 F66 W81	I51-L58 HydrophobicContact CB-CB 4.31Å; I51-L58 HydrophobicContact CB-CD2 4.2Å; I51-L58 HydrophobicContact CG2-CD2 4.33Å; I51-L58 WeakPolarHBondContact O-CB 3.31Å; I51-L58 PolarHBondContact O-N 2.91Å; L53-L58 HydrophobicContact CD1-CD1 4.01Å; R56-L58 PolarHBondContact O-N 2.9Å; L58-F66 HydrophobicContact CB-CB 3.97Å; L58-F66 HydrophobicContact CD2-CB 4.03Å; L58-F66 HydrophobicContact CD2-CD1 4.05Å; L58-F66 HydrophobicContact CD2-CD2 4.06Å; L58-F66 HydrophobicContact CD2-CG 3.78Å; L58-F66 HydrophobicContact CG-CB 3.82Å; L58-F66 HydrophobicContact CG-CD2 4.5Å; L58-F66 HydrophobicContact CG-CG 4.13Å; L58-F66 WeakPolarHBondContact O-CB 3.41Å; L58-F66 PolarHBondContact O-N 2.93Å; L58-W81 HydrophobicContact CD1-CH2 3.84Å; L58-W81 HydrophobicContact CD1-CZ2 3.56Å; L58-W81 HydrophobicContact CD1-CZ3 4.5Å; L58-W81 HydrophobicContact CD2-CZ2 3.97Å; L58-W81 HydrophobicContact CG-CZ2 4.41Å
59	R	95.3	Very high	94.7	Very high	157 Å²	157	55.1 Å²	55.1	59%	0.592	27%	0.272	S	S	*	.	B	Isolated β-bridge	trans	-122.7	148	178.3	-67.6	-175	177.2	-175.7	-2.1	110.9	I64	R59-I64 CarbonylContact C-O 3.55Å; R59-I64 WeakPolarHBondContact CA-O 3.41Å; R59-I64 WeakPolarHBondContact CB-O 2.97Å
60	T	93.9	Very high	94.5	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.043	28%	0.276	C	S	.	.			trans	-73.2	166.8	170.3	73.2	0	0	0	0	110.1	T62 G63 I64 F66 L103 D104	T60-T62 PolarHBondContact O-N 2.96Å; T60-T62 PolarHBondContact OG1-N 3.41Å; T60-T62 PolarHBondContact OG1-OG1 3.29Å; T60-G63 WeakPolarHBondContact O-CA 3.41Å; T60-G63 PolarHBondContact O-N 2.95Å; T60-I64 HydrophobicContact CG2-CD1 4.22Å; T60-I64 HydrophobicContact CG2-CG1 3.71Å; T60-I64 PolarHBondContact N-O 3.15Å; T60-I64 WeakPolarHBondContact OG1-CG1 3.33Å; T60-F66 HydrophobicContact CG2-CD2 4.28Å; T60-L103 HydrophobicContact CG2-CB 4.02Å; T60-L103 HydrophobicContact CG2-CD1 3.7Å; T60-D104 WeakPolarHBondContact CB-OD1 3.26Å; T60-D104 PolarHBondContact OG1-OD1 2.87Å
61	P	90.4	Very high	94.3	Very high	107 Å²	107	60.6 Å²	60.6	70%	0.695	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.7	175.2	-27.6	36.9	0	0	0	114.5	G63	P61-G63 PolarHBondContact O-N 3.19Å
62	T	91.6	Very high	94.2	Very high	93 Å²	93	62.7 Å²	62.7	57%	0.571	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.3	176	63.7	0	0	0	0	113.2	T60 D104	T60-T62 PolarHBondContact O-N 2.96Å; T60-T62 PolarHBondContact OG1-N 3.41Å; T60-T62 PolarHBondContact OG1-OG1 3.29Å; T62-D104 WeakPolarHBondContact CB-OD1 3.48Å; T62-D104 HydrophobicContact CG2-CB 4.02Å; T62-D104 VanDerWaalsContact CG2-CG 3.42Å; T62-D104 WeakPolarHBondContact CG2-OD1 3.5Å; T62-D104 PolarHBondContact OG1-OD1 3.26Å
63	G	92.3	Very high	94.1	Very high	38 Å²	38	62.1 Å²	62.1	39%	0.392	31%	0.313	S	S	.	.	S	Bend	trans	95	2	175.1	0	0	0	0	0	115.1	T60 P61	T60-G63 WeakPolarHBondContact O-CA 3.41Å; T60-G63 PolarHBondContact O-N 2.95Å; P61-G63 PolarHBondContact O-N 3.19Å
64	I	93.1	Very high	94.1	Very high	73 Å²	73	61.7 Å²	61.7	37%	0.374	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-76.8	157.9	174.6	63.2	165.9	0	0	0	111.5	R59 T60 F66 L103	R59-I64 CarbonylContact C-O 3.55Å; R59-I64 WeakPolarHBondContact CA-O 3.41Å; R59-I64 WeakPolarHBondContact CB-O 2.97Å; T60-I64 HydrophobicContact CG2-CD1 4.22Å; T60-I64 HydrophobicContact CG2-CG1 3.71Å; T60-I64 PolarHBondContact N-O 3.15Å; T60-I64 WeakPolarHBondContact OG1-CG1 3.33Å; I64-F66 PolarHBondContact O-N 3.09Å; I64-L103 HydrophobicContact CD1-CB 4.06Å
65	H	94.5	Very high	94.1	Very high	79 Å²	79	62.3 Å²	62.3	37%	0.366	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-68.9	125.5	177.7	-66.3	137.4	0	0	0	111.1	H67	H65-H67 PolarHBondContact O-N 3.2Å; H65-H67 PolarHBondContact O-ND1 2.85Å
66	F	96.5	Very high	94.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.9	117.6	176.5	-171.7	-78.8	0	0	0	109.9	I51 L58 T60 I64 V68 V77 T96 C99 N100 L103	I51-F66 HydrophobicContact CD1-CD1 3.98Å; I51-F66 HydrophobicContact CD1-CE1 3.6Å; I51-F66 HydrophobicContact CD1-CZ 4.48Å; I51-F66 HydrophobicContact CG1-CD1 4.26Å; I51-F66 HydrophobicContact CG1-CE1 4.29Å; L58-F66 HydrophobicContact CB-CB 3.97Å; L58-F66 HydrophobicContact CD2-CB 4.03Å; L58-F66 HydrophobicContact CD2-CD1 4.05Å; L58-F66 HydrophobicContact CD2-CD2 4.06Å; L58-F66 HydrophobicContact CD2-CG 3.78Å; L58-F66 HydrophobicContact CG-CB 3.82Å; L58-F66 HydrophobicContact CG-CD2 4.5Å; L58-F66 HydrophobicContact CG-CG 4.13Å; L58-F66 WeakPolarHBondContact O-CB 3.41Å; L58-F66 PolarHBondContact O-N 2.93Å; T60-F66 HydrophobicContact CG2-CD2 4.28Å; I64-F66 PolarHBondContact O-N 3.09Å; F66-V68 HydrophobicContact CE1-CG1 3.69Å; F66-V68 HydrophobicContact CZ-CG1 4.07Å; F66-V77 HydrophobicContact CE1-CG1 3.91Å; F66-V77 HydrophobicContact CZ-CG1 3.73Å; F66-V77 HydrophobicContact CZ-CG2 4.35Å; F66-T96 HydrophobicContact CE2-CG2 4.47Å; F66-C99 HydrophobicContact CE1-CB 4.4Å; F66-C99 HydrophobicContact CE2-CB 3.51Å; F66-C99 HydrophobicContact CZ-CB 3.29Å; F66-N100 VanDerWaalsContact CD2-OD1 3.29Å; F66-N100 WeakPolarHBondContact CD2-OD1 3.06Å; F66-N100 WeakPolarHBondContact CE2-OD1 3.29Å; F66-L103 HydrophobicContact CD2-CD1 4Å; F66-L103 HydrophobicContact CE2-CD1 4.37Å; F66-L103 HydrophobicContact CG-CD1 4.24Å
67	H	95.1	Very high	94.4	Very high	16 Å²	16	47.2 Å²	47.2	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	146	176.5	63.3	-83.7	0	0	0	110.1	H41 Y44 V48 F49 Q50 H65 L103 W189	H41-H67 AromaticContact CD2-CE1 3.97Å; H41-H67 AromaticContact CD2-NE2 3.87Å; H41-H67 AromaticContact NE2-CE1 3.66Å; H41-H67 AromaticContact NE2-NE2 3.75Å; Y44-H67 AromaticContact CE2-CD2 3.88Å; Y44-H67 AromaticContact CE2-NE2 3.64Å; V48-H67 HydrophobicContact CB-CB 4.36Å; V48-H67 HydrophobicContact CG2-CB 4.17Å; F49-H67 CarbonylContact O-C 3.53Å; F49-H67 VanDerWaalsContact O-CA 3.28Å; F49-H67 WeakPolarHBondContact O-CA 3.43Å; Q50-H67 HydrophobicContact CG-CB 3.98Å; H65-H67 PolarHBondContact O-N 3.2Å; H65-H67 PolarHBondContact O-ND1 2.85Å; H67-L103 WeakPolarHBondContact O-CD1 3.35Å; H67-L103 WeakPolarHBondContact O-CD2 3.32Å; H67-W189 WeakPolarHBondContact O-CH2 3.39Å
68	V	95.1	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.6	177.6	-64.3	0	0	0	0	110.3	V48 F49 F66 N70 L73 A74 C99 W189	V48-V68 WeakPolarHBondContact CA-O 3.38Å; F49-V68 HydrophobicContact CB-CG2 4.09Å; F49-V68 PolarHBondContact N-O 2.9Å; F49-V68 PolarHBondContact O-N 3.13Å; F66-V68 HydrophobicContact CE1-CG1 3.69Å; F66-V68 HydrophobicContact CZ-CG1 4.07Å; V68-N70 VanDerWaalsContact C-N 3.29Å; V68-N70 PolarHBondContact O-N 3.29Å; V68-L73 HydrophobicContact CB-CD2 4.01Å; V68-L73 HydrophobicContact CB-CG 4.28Å; V68-L73 HydrophobicContact CG1-CD2 3.99Å; V68-L73 HydrophobicContact CG1-CG 4.2Å; V68-L73 HydrophobicContact CG2-CB 4.49Å; V68-L73 HydrophobicContact CG2-CG 4.49Å; V68-A74 HydrophobicContact CG2-CB 3.54Å; V68-C99 HydrophobicContact CG1-CB 4.33Å; V68-W189 HydrophobicContact CB-CH2 4.26Å; V68-W189 HydrophobicContact CG1-CH2 3.82Å; V68-W189 HydrophobicContact CG1-CZ3 3.97Å
69	P	92.5	Very high	94.6	Very high	7 Å²	7	48 Å²	48	5%	0.045	27%	0.265	C	S	.	.	S	Bend	trans	-77.6	-13.1	-176.5	30.1	-36	0	0	0	113.6	Y44 W189 Q266	Y44-P69 HydrophobicContact CD1-CB 3.96Å; Y44-P69 HydrophobicContact CE1-CB 3.64Å; Y44-P69 HydrophobicContact CE1-CG 4.22Å; P69-W189 VanDerWaalsContact CD-CZ2 3.43Å; P69-W189 HydrophobicContact CG-CD2 4.27Å; P69-W189 HydrophobicContact CG-CG 4.47Å; P69-W189 HydrophobicContact CG-CZ2 4.28Å; P69-Q266 PolarHBondContact O-NE2 3.05Å
70	N	91.4	Very high	94.7	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.144	24%	0.241	C	C	.	.			trans	-121.8	131.6	-172.5	-172.3	-44.3	0	0	0	111.3	V68 A72 L73 A74 L262	V68-N70 VanDerWaalsContact C-N 3.29Å; V68-N70 PolarHBondContact O-N 3.29Å; N70-A72 WeakPolarHBondContact OD1-CB 3.2Å; N70-A72 PolarHBondContact OD1-N 2.93Å; N70-L73 HydrophobicContact CB-CB 4.1Å; N70-L73 PolarHBondContact O-N 2.85Å; N70-A74 PolarHBondContact O-N 3.41Å; N70-L262 PolarHBondContact ND2-O 3.29Å; N70-L262 VanDerWaalsContact ND2-O 3.16Å
71	Q	93.3	Very high	94.9	Very high	119 Å²	119	42.2 Å²	42.2	56%	0.556	24%	0.243	S	C	*	.	H	α-helix	trans	-63.1	-41.4	179.5	-169.1	176.9	-1.4	0	0	112.7	F49 L73 A74 V75	F49-Q71 HydrophobicContact CD1-CB 4.32Å; F49-Q71 HydrophobicContact CD1-CG 4.18Å; F49-Q71 HydrophobicContact CD2-CB 4.21Å; F49-Q71 HydrophobicContact CE1-CB 3.85Å; F49-Q71 HydrophobicContact CE1-CG 3.78Å; F49-Q71 HydrophobicContact CE2-CB 3.75Å; F49-Q71 HydrophobicContact CG-CB 4.49Å; F49-Q71 HydrophobicContact CZ-CB 3.55Å; F49-Q71 HydrophobicContact CZ-CG 4.01Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.36Å; Q71-A74 WeakPolarHBondContact O-CB 3.39Å; Q71-A74 PolarHBondContact O-N 2.92Å; Q71-A74 VanDerWaalsContact O-N 3.11Å; Q71-V75 WeakPolarHBondContact O-CG2 3.48Å; Q71-V75 PolarHBondContact O-N 3.13Å
72	A	94.3	Very high	95.2	Very high	45 Å²	45	41.2 Å²	41.2	37%	0.372	23%	0.232	S	C	.	.	H	α-helix	trans	-62.9	-39	178.9	0	0	0	0	0	111.2	N70 V75 A76 L262	N70-A72 WeakPolarHBondContact OD1-CB 3.2Å; N70-A72 PolarHBondContact OD1-N 2.93Å; A72-V75 PolarHBondContact O-N 3.44Å; A72-A76 PolarHBondContact O-N 3.22Å; A72-L262 HydrophobicContact CB-CD1 3.96Å; A72-L262 HydrophobicContact CB-CD2 4.32Å
73	L	94.9	Very high	95.5	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-40.9	173.3	-175.9	59.4	0	0	0	111.1	V68 N70 Q71 V75 A76 V77 L95 W189 F258 L259 L262	V68-L73 HydrophobicContact CB-CD2 4.01Å; V68-L73 HydrophobicContact CB-CG 4.28Å; V68-L73 HydrophobicContact CG1-CD2 3.99Å; V68-L73 HydrophobicContact CG1-CG 4.2Å; V68-L73 HydrophobicContact CG2-CB 4.49Å; V68-L73 HydrophobicContact CG2-CG 4.49Å; N70-L73 HydrophobicContact CB-CB 4.1Å; N70-L73 PolarHBondContact O-N 2.85Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.36Å; L73-V75 VanDerWaalsContact C-N 3.34Å; L73-V75 PolarHBondContact O-N 2.87Å; L73-A76 PolarHBondContact O-N 2.79Å; L73-V77 HydrophobicContact CD1-CG2 4.23Å; L73-V77 HydrophobicContact CG-CG2 4.46Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.39Å; L73-V77 PolarHBondContact O-N 2.93Å; L73-L95 HydrophobicContact CD1-CD2 4.26Å; L73-W189 HydrophobicContact CD2-CE3 4.32Å; L73-W189 HydrophobicContact CD2-CZ3 4.23Å; L73-F258 HydrophobicContact CD1-CD1 4.34Å; L73-F258 HydrophobicContact CD1-CE1 4.23Å; L73-L259 HydrophobicContact CD1-CD1 4.25Å; L73-L259 HydrophobicContact CD2-CD1 3.54Å; L73-L262 HydrophobicContact CB-CD1 3.98Å
74	A	96	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-42	176.7	0	0	0	0	0	112.3	I36 F49 V68 N70 Q71 A78	I36-A74 HydrophobicContact CD1-CB 4.26Å; I36-A74 HydrophobicContact CG2-CB 4.04Å; F49-A74 HydrophobicContact CB-CB 3.47Å; F49-A74 VanDerWaalsContact CB-CB 3.47Å; F49-A74 HydrophobicContact CG-CB 4.12Å; V68-A74 HydrophobicContact CG2-CB 3.54Å; N70-A74 PolarHBondContact O-N 3.41Å; Q71-A74 WeakPolarHBondContact O-CB 3.39Å; Q71-A74 PolarHBondContact O-N 2.92Å; Q71-A74 VanDerWaalsContact O-N 3.11Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.14Å
75	V	97	Very high	95.7	Very high	78 Å²	78	39.9 Å²	39.9	47%	0.473	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-46	175.7	173.5	0	0	0	0	111	I36 Q71 A72 L73 A78 H79	I36-V75 HydrophobicContact CD1-CB 4.27Å; I36-V75 HydrophobicContact CD1-CG2 3.69Å; Q71-V75 WeakPolarHBondContact O-CG2 3.48Å; Q71-V75 PolarHBondContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 3.44Å; L73-V75 VanDerWaalsContact C-N 3.34Å; L73-V75 PolarHBondContact O-N 2.87Å; V75-A78 PolarHBondContact O-N 2.91Å; V75-H79 WeakPolarHBondContact O-CB 3.49Å; V75-H79 PolarHBondContact O-N 3.01Å
76	A	96.9	Very high	95.6	Very high	23 Å²	23	42.3 Å²	42.3	19%	0.19	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.1	179.5	0	0	0	0	0	112.1	A72 L73 H79 E80 L95 F258	A72-A76 PolarHBondContact O-N 3.22Å; L73-A76 PolarHBondContact O-N 2.79Å; A76-H79 WeakPolarHBondContact O-CB 3.44Å; A76-H79 PolarHBondContact O-N 3.23Å; A76-E80 PolarHBondContact O-N 2.92Å; A76-E80 VanDerWaalsContact O-N 3.13Å; A76-L95 HydrophobicContact CB-CD1 3.53Å; A76-F258 HydrophobicContact CB-CE1 3.73Å; A76-F258 HydrophobicContact CB-CZ 4.2Å
77	V	97.3	Very high	95.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-42.5	176.1	178.9	0	0	0	0	110.8	I51 F66 L73 H79 E80 W81 L95 T96	I51-V77 HydrophobicContact CD1-CB 3.53Å; I51-V77 HydrophobicContact CD1-CG1 3.15Å; F66-V77 HydrophobicContact CE1-CG1 3.91Å; F66-V77 HydrophobicContact CZ-CG1 3.73Å; F66-V77 HydrophobicContact CZ-CG2 4.35Å; L73-V77 HydrophobicContact CD1-CG2 4.23Å; L73-V77 HydrophobicContact CG-CG2 4.46Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.39Å; L73-V77 PolarHBondContact O-N 2.93Å; V77-H79 PolarHBondContact O-N 3.16Å; V77-E80 WeakPolarHBondContact O-CB 3.47Å; V77-E80 PolarHBondContact O-N 3.39Å; V77-E80 VanDerWaalsContact O-N 3.09Å; V77-W81 VanDerWaalsContact O-CD1 3.29Å; V77-W81 PolarHBondContact O-N 3.25Å; V77-L95 HydrophobicContact CG2-CB 3.88Å; V77-T96 WeakPolarHBondContact CG1-OG1 3.36Å
78	A	97.8	Very high	95.5	Very high	10 Å²	10	44 Å²	44	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-38.4	175.5	0	0	0	0	0	111.6	V34 I36 A74 V75 W81 D82	V34-A78 HydrophobicContact CG1-CB 3.83Å; I36-A78 HydrophobicContact CD1-CB 3.86Å; I36-A78 HydrophobicContact CG1-CB 3.84Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.14Å; V75-A78 PolarHBondContact O-N 2.91Å; A78-W81 PolarHBondContact O-N 2.93Å; A78-D82 WeakPolarHBondContact O-CB 3.2Å; A78-D82 PolarHBondContact O-N 3.45Å
79	H	97.4	Very high	95.4	Very high	122 Å²	122	48.3 Å²	48.3	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-38.4	174.9	-177.2	64.1	0	0	0	113.1	V75 A76 V77 W81 D82 S83	V75-H79 WeakPolarHBondContact O-CB 3.49Å; V75-H79 PolarHBondContact O-N 3.01Å; A76-H79 WeakPolarHBondContact O-CB 3.44Å; A76-H79 PolarHBondContact O-N 3.23Å; V77-H79 PolarHBondContact O-N 3.16Å; H79-W81 VanDerWaalsContact C-N 3.3Å; H79-W81 PolarHBondContact O-N 3.18Å; H79-D82 PolarHBondContact O-N 3.07Å; H79-S83 PolarHBondContact CE1-OG 2.67Å; H79-S83 VanDerWaalsContact O-CB 3.31Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.39Å; H79-S83 PolarHBondContact O-OG 3.31Å
80	E	97.4	Very high	95.4	Very high	18 Å²	18	55.6 Å²	55.6	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-41.5	173.8	-68.3	-172.9	153.4	0	0	112	A76 V77 Q84 M93 P94 L95 T96	A76-E80 PolarHBondContact O-N 2.92Å; A76-E80 VanDerWaalsContact O-N 3.13Å; V77-E80 WeakPolarHBondContact O-CB 3.47Å; V77-E80 PolarHBondContact O-N 3.39Å; V77-E80 VanDerWaalsContact O-N 3.09Å; E80-Q84 PolarHBondContact O-NE2 3.34Å; E80-M93 HydrophobicContact CB-CB 4.38Å; E80-M93 HydrophobicContact CB-CG 4.16Å; E80-M93 VanDerWaalsContact CD-CA 3.49Å; E80-M93 WeakPolarHBondContact OE2-CA 3.37Å; E80-P94 WeakPolarHBondContact OE1-CD 3.44Å; E80-L95 VanDerWaalsContact OE1-CB 3.26Å; E80-L95 WeakPolarHBondContact OE1-CB 3.15Å; E80-L95 PolarHBondContact OE1-N 3.32Å; E80-T96 WeakPolarHBondContact OE2-CB 3.3Å; E80-T96 PolarHBondContact OE2-N 2.6Å; E80-T96 PolarHBondContact OE2-OG1 3.47Å
81	W	97.6	Very high	95.4	Very high	25 Å²	25	61.2 Å²	61.2	10%	0.095	31%	0.314	C	S	.	.	H	α-helix	trans	-70.9	-40.4	176.2	-76.3	92	0	0	0	111.9	Y31 V34 L53 L58 V77 A78 H79 S83 Q84 I88 M93 T96	Y31-W81 AromaticContact CE1-CE3 3.68Å; Y31-W81 HydrophobicContact CE1-CE3 3.68Å; Y31-W81 AromaticContact CE1-CZ3 3.96Å; Y31-W81 HydrophobicContact CE1-CZ3 3.96Å; Y31-W81 WeakPolarHBondContact CE2-O 3.29Å; Y31-W81 AromaticContact CZ-CE3 3.67Å; Y31-W81 PolarHBondContact OH-O 3.18Å; V34-W81 HydrophobicContact CG1-CB 4.16Å; V34-W81 HydrophobicContact CG2-CB 3.94Å; L53-W81 HydrophobicContact CD1-CD2 4.42Å; L53-W81 HydrophobicContact CD1-CE3 3.78Å; L53-W81 HydrophobicContact CD1-CZ3 3.83Å; L53-W81 HydrophobicContact CD2-CB 4.21Å; L53-W81 HydrophobicContact CD2-CD2 4.28Å; L53-W81 HydrophobicContact CD2-CE3 4.1Å; L53-W81 HydrophobicContact CD2-CG 4.32Å; L58-W81 HydrophobicContact CD1-CH2 3.84Å; L58-W81 HydrophobicContact CD1-CZ2 3.56Å; L58-W81 HydrophobicContact CD1-CZ3 4.5Å; L58-W81 HydrophobicContact CD2-CZ2 3.97Å; L58-W81 HydrophobicContact CG-CZ2 4.41Å; V77-W81 VanDerWaalsContact O-CD1 3.29Å; V77-W81 PolarHBondContact O-N 3.25Å; A78-W81 PolarHBondContact O-N 2.93Å; H79-W81 VanDerWaalsContact C-N 3.3Å; H79-W81 PolarHBondContact O-N 3.18Å; W81-S83 VanDerWaalsContact C-N 3.31Å; W81-S83 PolarHBondContact O-N 3.3Å; W81-Q84 WeakPolarHBondContact O-CG 3.34Å; W81-Q84 PolarHBondContact O-N 2.78Å; W81-I88 HydrophobicContact CZ3-CD1 4.21Å; W81-I88 HydrophobicContact CZ3-CG2 4.32Å; W81-M93 HydrophobicContact CD2-CE 3.98Å; W81-M93 HydrophobicContact CD2-SD 4.34Å; W81-M93 HydrophobicContact CE3-CE 3.99Å; W81-M93 HydrophobicContact CG-CE 4.38Å; W81-M93 HydrophobicContact CZ2-SD 4.22Å; W81-M93 HydrophobicContact CZ3-CE 4.34Å; W81-T96 HydrophobicContact CZ2-CG2 3.88Å; W81-T96 PolarHBondContact NE1-OG1 3.1Å
82	D	97	Very high	95.4	Very high	86 Å²	86	58.4 Å²	58.4	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-36	-179.9	-166.1	52.9	0	0	0	112	V34 A78 H79 Q84	V34-D82 HydrophobicContact CB-CB 4.37Å; V34-D82 HydrophobicContact CG2-CB 4.13Å; A78-D82 WeakPolarHBondContact O-CB 3.2Å; A78-D82 PolarHBondContact O-N 3.45Å; H79-D82 PolarHBondContact O-N 3.07Å; D82-Q84 PolarHBondContact O-N 2.99Å; D82-Q84 VanDerWaalsContact O-N 3.08Å
83	S	97	Very high	95.5	Very high	62 Å²	62	56.4 Å²	56.4	43%	0.434	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.3	180	-60	0	0	0	0	114.8	H79 W81	H79-S83 PolarHBondContact CE1-OG 2.67Å; H79-S83 VanDerWaalsContact O-CB 3.31Å; H79-S83 WeakPolarHBondContact O-CB 3.34Å; H79-S83 PolarHBondContact O-N 3.39Å; H79-S83 PolarHBondContact O-OG 3.31Å; W81-S83 VanDerWaalsContact C-N 3.31Å; W81-S83 PolarHBondContact O-N 3.3Å
84	Q	96.9	Very high	95.7	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.037	30%	0.295	C	S	.	.			trans	-73.9	141.3	176.7	-56.4	-54.8	-57.3	0	0	111.2	K29 Y31 E80 W81 D82 T87 T92 M93	K29-Q84 HydrophobicContact CD-CB 4.34Å; K29-Q84 WeakPolarHBondContact CD-O 3.34Å; K29-Q84 WeakPolarHBondContact CE-O 3.43Å; K29-Q84 PolarHBondContact NZ-O 2.92Å; Y31-Q84 WeakPolarHBondContact OH-CB 2.99Å; Y31-Q84 VanDerWaalsContact OH-CG 3.29Å; Y31-Q84 WeakPolarHBondContact OH-CG 3.43Å; E80-Q84 PolarHBondContact O-NE2 3.34Å; W81-Q84 WeakPolarHBondContact O-CG 3.34Å; W81-Q84 PolarHBondContact O-N 2.78Å; D82-Q84 PolarHBondContact O-N 2.99Å; D82-Q84 VanDerWaalsContact O-N 3.08Å; Q84-T87 PolarHBondContact OE1-O 2.93Å; Q84-T92 PolarHBondContact NE2-OG1 2.88Å; Q84-T92 VanDerWaalsContact NE2-OG1 3.15Å; Q84-M93 HydrophobicContact CG-CE 3.14Å; Q84-M93 VanDerWaalsContact NE2-CE 3.26Å
85	V	93.3	Very high	95.7	Very high	106 Å²	106	58.2 Å²	58.2	64%	0.642	30%	0.299	S	S	*	.			trans	-106.4	-98.1	-177.1	-170	0	0	0	0	110.8	K29	K29-V85 VanDerWaalsContact CB-O 3.31Å; K29-V85 WeakPolarHBondContact CB-O 3.02Å; K29-V85 WeakPolarHBondContact CD-O 3.28Å
86	D	92.6	Very high	95.7	Very high	130 Å²	130	54.8 Å²	54.8	70%	0.695	28%	0.278	S	S	*	.	S	Bend	trans	-87.2	-36.1	-176.2	-58.9	-52.6	0	0	0	113.2	K28 K29	K28-D86 WeakPolarHBondContact CA-O 3.13Å; K29-D86 PolarHBondContact N-O 2.78Å
87	T	94.8	Very high	95.7	Very high	47 Å²	47	57 Å²	57	29%	0.288	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-129.4	145.6	-178	60	0	0	0	0	109.5	P27 Q84 K89	P27-T87 CarbonylContact O-C 3.6Å; P27-T87 WeakPolarHBondContact O-CA 3.31Å; Q84-T87 PolarHBondContact OE1-O 2.93Å; T87-K89 PolarHBondContact O-N 3.11Å
88	I	94.8	Very high	95.7	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.031	29%	0.294	C	S	.	.			trans	-79	108	176.2	-61.9	162.9	0	0	0	108.2	Q26 P27 F30 Y31 W81 R90 M93	Q26-I88 PolarHBondContact OE1-O 3.08Å; P27-I88 HydrophobicContact CG-CB 4.23Å; P27-I88 PolarHBondContact O-N 3.38Å; F30-I88 HydrophobicContact CD1-CD1 3.68Å; F30-I88 HydrophobicContact CE1-CD1 3.4Å; F30-I88 VanDerWaalsContact CE1-CD1 3.4Å; F30-I88 HydrophobicContact CZ-CD1 4.42Å; Y31-I88 HydrophobicContact CE1-CD1 3.99Å; Y31-I88 HydrophobicContact CE1-CG1 4.25Å; W81-I88 HydrophobicContact CZ3-CD1 4.21Å; W81-I88 HydrophobicContact CZ3-CG2 4.32Å; I88-R90 PolarHBondContact O-N 3.3Å; I88-M93 HydrophobicContact CG2-CE 3.75Å; I88-M93 HydrophobicContact CG2-SD 4.33Å
89	K	94	Very high	95.6	Very high	91 Å²	91	57.4 Å²	57.4	40%	0.396	29%	0.29	S	S	.	.			trans	-93.1	91.4	179.8	-68.1	171.4	175	-177.4	0	109.5	T87 Y91 T92	T87-K89 PolarHBondContact O-N 3.11Å; K89-Y91 HydrophobicContact CB-CD1 4.15Å; K89-Y91 HydrophobicContact CB-CE1 3.65Å; K89-Y91 HydrophobicContact CD-CE1 4.33Å; K89-Y91 WeakPolarHBondContact CD-OH 3.4Å; K89-Y91 HydrophobicContact CG-CE1 3.9Å; K89-Y91 PolarHBondContact O-N 2.85Å; K89-Y91 VanDerWaalsContact O-N 3.14Å; K89-T92 HydrophobicContact CB-CG2 3.88Å; K89-T92 HydrophobicContact CD-CG2 4.46Å; K89-T92 PolarHBondContact O-N 3.02Å; K89-T92 PolarHBondContact O-OG1 2.82Å
90	R	92.1	Very high	95.6	Very high	161 Å²	161	52.8 Å²	52.8	61%	0.608	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.5	-175.3	-66.6	-177.3	-179.9	140.2	-1.5	114.4	I88 T92 M93	I88-R90 PolarHBondContact O-N 3.3Å; R90-T92 PolarHBondContact O-N 3.46Å; R90-M93 PolarHBondContact O-N 2.86Å
91	Y	90.9	Very high	95.5	Very high	145 Å²	145	58.3 Å²	58.3	57%	0.569	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.3	-16.5	177.5	65.2	-91.9	0	0	0	113	K89 M93	K89-Y91 HydrophobicContact CB-CD1 4.15Å; K89-Y91 HydrophobicContact CB-CE1 3.65Å; K89-Y91 HydrophobicContact CD-CE1 4.33Å; K89-Y91 WeakPolarHBondContact CD-OH 3.4Å; K89-Y91 HydrophobicContact CG-CE1 3.9Å; K89-Y91 PolarHBondContact O-N 2.85Å; K89-Y91 VanDerWaalsContact O-N 3.14Å; Y91-M93 VanDerWaalsContact C-N 3.33Å
92	T	94.2	Very high	95.3	Very high	59 Å²	59	57.3 Å²	57.3	36%	0.362	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-93.3	11.4	172.6	78.4	0	0	0	0	112.5	Q84 K89 R90	Q84-T92 PolarHBondContact NE2-OG1 2.88Å; Q84-T92 VanDerWaalsContact NE2-OG1 3.15Å; K89-T92 HydrophobicContact CB-CG2 3.88Å; K89-T92 HydrophobicContact CD-CG2 4.46Å; K89-T92 PolarHBondContact O-N 3.02Å; K89-T92 PolarHBondContact O-OG1 2.82Å; R90-T92 PolarHBondContact O-N 3.46Å
93	M	96.7	Very high	95.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.02	27%	0.271	C	S	.	.			trans	-124.7	59.3	-178.3	-55.5	-176	169.4	0	0	112.4	E80 W81 Q84 I88 R90 Y91 L95 T97	E80-M93 HydrophobicContact CB-CB 4.38Å; E80-M93 HydrophobicContact CB-CG 4.16Å; E80-M93 VanDerWaalsContact CD-CA 3.49Å; E80-M93 WeakPolarHBondContact OE2-CA 3.37Å; W81-M93 HydrophobicContact CD2-CE 3.98Å; W81-M93 HydrophobicContact CD2-SD 4.34Å; W81-M93 HydrophobicContact CE3-CE 3.99Å; W81-M93 HydrophobicContact CG-CE 4.38Å; W81-M93 HydrophobicContact CZ2-SD 4.22Å; W81-M93 HydrophobicContact CZ3-CE 4.34Å; Q84-M93 HydrophobicContact CG-CE 3.14Å; Q84-M93 VanDerWaalsContact NE2-CE 3.26Å; I88-M93 HydrophobicContact CG2-CE 3.75Å; I88-M93 HydrophobicContact CG2-SD 4.33Å; R90-M93 PolarHBondContact O-N 2.86Å; Y91-M93 VanDerWaalsContact C-N 3.33Å; M93-L95 VanDerWaalsContact C-N 3.35Å; M93-L95 PolarHBondContact O-N 3.03Å; M93-T97 PolarHBondContact O-N 3.42Å; M93-T97 PolarHBondContact O-OG1 3.28Å
94	P	97	Very high	95	Very high	25 Å²	25	53.7 Å²	53.7	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-37.9	-178.8	27.2	-36.2	0	0	0	112.9	E80 T97 L98 A255	E80-P94 WeakPolarHBondContact OE1-CD 3.44Å; P94-T97 WeakPolarHBondContact O-CB 3.41Å; P94-T97 PolarHBondContact O-N 2.94Å; P94-L98 VanDerWaalsContact O-CG 3.26Å; P94-L98 WeakPolarHBondContact O-CG 3.49Å; P94-L98 PolarHBondContact O-N 2.88Å; P94-A255 HydrophobicContact CB-CB 3.63Å; P94-A255 HydrophobicContact CG-CB 3.68Å
95	L	97.3	Very high	94.7	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-43.3	179.6	-65.4	170.1	0	0	0	111.7	L73 A76 V77 E80 M93 T97 L98 C99 A255 F258	L73-L95 HydrophobicContact CD1-CD2 4.26Å; A76-L95 HydrophobicContact CB-CD1 3.53Å; V77-L95 HydrophobicContact CG2-CB 3.88Å; E80-L95 VanDerWaalsContact OE1-CB 3.26Å; E80-L95 WeakPolarHBondContact OE1-CB 3.15Å; E80-L95 PolarHBondContact OE1-N 3.32Å; M93-L95 VanDerWaalsContact C-N 3.35Å; M93-L95 PolarHBondContact O-N 3.03Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 3.49Å; L95-L98 PolarHBondContact O-N 3.31Å; L95-C99 WeakPolarHBondContact O-CB 3.26Å; L95-C99 PolarHBondContact O-N 3.2Å; L95-C99 PolarHBondContact O-SG 2.83Å; L95-A255 HydrophobicContact CD2-CB 3.71Å; L95-A255 WeakPolarHBondContact CD2-O 3.44Å; L95-A255 HydrophobicContact CG-CB 3.93Å; L95-F258 HydrophobicContact CD1-CD1 4.19Å; L95-F258 HydrophobicContact CD1-CE1 4.33Å; L95-F258 HydrophobicContact CD2-CD1 3.78Å
96	T	97.1	Very high	94.4	Very high	5 Å²	5	52 Å²	52	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-56.7	-44.9	173.4	-59	0	0	0	0	110.3	F66 V77 E80 W81 C99 N100	F66-T96 HydrophobicContact CE2-CG2 4.47Å; V77-T96 WeakPolarHBondContact CG1-OG1 3.36Å; E80-T96 WeakPolarHBondContact OE2-CB 3.3Å; E80-T96 PolarHBondContact OE2-N 2.6Å; E80-T96 PolarHBondContact OE2-OG1 3.47Å; W81-T96 HydrophobicContact CZ2-CG2 3.88Å; W81-T96 PolarHBondContact NE1-OG1 3.1Å; T96-C99 PolarHBondContact O-N 3.48Å; T96-N100 WeakPolarHBondContact O-CB 3.41Å; T96-N100 VanDerWaalsContact O-CG 3.23Å; T96-N100 PolarHBondContact O-N 2.93Å; T96-N100 PolarHBondContact O-ND2 3.44Å; T96-N100 VanDerWaalsContact O-ND2 3.16Å
97	T	96.5	Very high	93.9	Very high	71 Å²	71	50 Å²	50	44%	0.436	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-45.9	178.5	-59.1	0	0	0	0	111.7	M93 P94 L95 N100 R101	M93-T97 PolarHBondContact O-N 3.42Å; M93-T97 PolarHBondContact O-OG1 3.28Å; P94-T97 WeakPolarHBondContact O-CB 3.41Å; P94-T97 PolarHBondContact O-N 2.94Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 3.49Å; T97-N100 PolarHBondContact O-N 3.04Å; T97-R101 PolarHBondContact O-N 3.45Å
98	L	97	Very high	93.5	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-39.3	178.6	-69.2	167.6	0	0	0	112.6	P94 L95 R101 A102 A255 A256 L259	P94-L98 VanDerWaalsContact O-CG 3.26Å; P94-L98 WeakPolarHBondContact O-CG 3.49Å; P94-L98 PolarHBondContact O-N 2.88Å; L95-L98 PolarHBondContact O-N 3.31Å; L98-R101 WeakPolarHBondContact O-CB 3.42Å; L98-R101 PolarHBondContact O-N 3.03Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.48Å; L98-A255 HydrophobicContact CD1-CB 4.17Å; L98-A256 HydrophobicContact CD1-CB 4Å; L98-L259 HydrophobicContact CB-CD2 3.78Å
99	C	96.3	Very high	93.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-41.4	176.8	-67.2	0	0	0	0	111.7	F66 V68 L95 T96 R101 A102 L103 W189	F66-C99 HydrophobicContact CE1-CB 4.4Å; F66-C99 HydrophobicContact CE2-CB 3.51Å; F66-C99 HydrophobicContact CZ-CB 3.29Å; V68-C99 HydrophobicContact CG1-CB 4.33Å; L95-C99 WeakPolarHBondContact O-CB 3.26Å; L95-C99 PolarHBondContact O-N 3.2Å; L95-C99 PolarHBondContact O-SG 2.83Å; T96-C99 PolarHBondContact O-N 3.48Å; C99-R101 VanDerWaalsContact C-N 3.29Å; C99-R101 PolarHBondContact O-N 3.05Å; C99-A102 PolarHBondContact O-N 3.42Å; C99-L103 WeakPolarHBondContact O-CB 3.24Å; C99-L103 WeakPolarHBondContact O-CG 3.33Å; C99-L103 PolarHBondContact O-N 2.96Å; C99-W189 HydrophobicContact CB-CZ3 3.98Å
100	N	96.6	Very high	93.2	Very high	26 Å²	26	55.1 Å²	55.1	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-47.2	171.8	-75.1	-32.3	0	0	0	110.4	F66 T96 T97 A102 L103 D104	F66-N100 VanDerWaalsContact CD2-OD1 3.29Å; F66-N100 WeakPolarHBondContact CD2-OD1 3.06Å; F66-N100 WeakPolarHBondContact CE2-OD1 3.29Å; T96-N100 WeakPolarHBondContact O-CB 3.41Å; T96-N100 VanDerWaalsContact O-CG 3.23Å; T96-N100 PolarHBondContact O-N 2.93Å; T96-N100 PolarHBondContact O-ND2 3.44Å; T96-N100 VanDerWaalsContact O-ND2 3.16Å; T97-N100 PolarHBondContact O-N 3.04Å; N100-A102 PolarHBondContact O-N 3.46Å; N100-L103 PolarHBondContact O-N 3.43Å; N100-D104 VanDerWaalsContact O-CB 3.29Å; N100-D104 WeakPolarHBondContact O-CB 3.5Å; N100-D104 PolarHBondContact O-N 2.68Å
101	R	95.1	Very high	93.3	Very high	134 Å²	134	52.1 Å²	52.1	51%	0.506	28%	0.278	S	S	.	.	H	α-helix	trans	-58.4	-49.5	176.8	-175	63.8	58.5	74.8	3.2	111.5	T97 L98 C99 L103 D104 T105 T192	T97-R101 PolarHBondContact O-N 3.45Å; L98-R101 WeakPolarHBondContact O-CB 3.42Å; L98-R101 PolarHBondContact O-N 3.03Å; C99-R101 VanDerWaalsContact C-N 3.29Å; C99-R101 PolarHBondContact O-N 3.05Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 2.91Å; R101-D104 PolarHBondContact O-N 2.83Å; R101-T105 WeakPolarHBondContact O-CB 3.38Å; R101-T105 PolarHBondContact O-N 2.94Å; R101-T105 PolarHBondContact O-OG1 3.42Å; R101-T192 HydrophobicContact CB-CG2 4.07Å; R101-T192 HydrophobicContact CG-CG2 3.9Å
102	A	94.5	Very high	93.5	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-34.1	-178.9	0	0	0	0	0	113	L98 C99 N100 W189 T192	L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 3.48Å; C99-A102 PolarHBondContact O-N 3.42Å; N100-A102 PolarHBondContact O-N 3.46Å; A102-W189 HydrophobicContact CB-CD2 3.9Å; A102-W189 HydrophobicContact CB-CE3 3.53Å; A102-W189 HydrophobicContact CB-CG 4.49Å; A102-W189 HydrophobicContact CB-CH2 4.48Å; A102-W189 HydrophobicContact CB-CZ3 3.89Å; A102-T192 HydrophobicContact CB-CG2 4.12Å
103	L	94.2	Very high	93.6	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-76.3	-36.7	176.9	-76.6	171.4	0	0	0	113.1	T60 I64 F66 H67 C99 N100 R101 T105 W189	T60-L103 HydrophobicContact CG2-CB 4.02Å; T60-L103 HydrophobicContact CG2-CD1 3.7Å; I64-L103 HydrophobicContact CD1-CB 4.06Å; F66-L103 HydrophobicContact CD2-CD1 4Å; F66-L103 HydrophobicContact CE2-CD1 4.37Å; F66-L103 HydrophobicContact CG-CD1 4.24Å; H67-L103 WeakPolarHBondContact O-CD1 3.35Å; H67-L103 WeakPolarHBondContact O-CD2 3.32Å; C99-L103 WeakPolarHBondContact O-CB 3.24Å; C99-L103 WeakPolarHBondContact O-CG 3.33Å; C99-L103 PolarHBondContact O-N 2.96Å; N100-L103 PolarHBondContact O-N 3.43Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 2.91Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-W189 HydrophobicContact CD1-CH2 4.35Å; L103-W189 HydrophobicContact CD2-CH2 3.92Å; L103-W189 HydrophobicContact CD2-CZ2 3.8Å; L103-W189 HydrophobicContact CG-CH2 3.75Å; L103-W189 HydrophobicContact CG-CZ2 4.11Å
104	D	92.6	Very high	93.6	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-81	-15.4	179.9	-66.7	-25.5	0	0	0	111.9	T60 T62 N100 R101 P106	T60-D104 WeakPolarHBondContact CB-OD1 3.26Å; T60-D104 PolarHBondContact OG1-OD1 2.87Å; T62-D104 WeakPolarHBondContact CB-OD1 3.48Å; T62-D104 HydrophobicContact CG2-CB 4.02Å; T62-D104 VanDerWaalsContact CG2-CG 3.42Å; T62-D104 WeakPolarHBondContact CG2-OD1 3.5Å; T62-D104 PolarHBondContact OG1-OD1 3.26Å; N100-D104 VanDerWaalsContact O-CB 3.29Å; N100-D104 WeakPolarHBondContact O-CB 3.5Å; N100-D104 PolarHBondContact O-N 2.68Å; R101-D104 PolarHBondContact O-N 2.83Å; D104-P106 VanDerWaalsContact O-CD 3.32Å; D104-P106 WeakPolarHBondContact O-CD 3.28Å
105	T	91.8	Very high	93.5	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	28%	0.276	C	S	.	.	S	Bend	trans	-77.5	118	174.8	-68.8	0	0	0	0	110.9	R101 L103 E109 L113 I188	R101-T105 WeakPolarHBondContact O-CB 3.38Å; R101-T105 PolarHBondContact O-N 2.94Å; R101-T105 PolarHBondContact O-OG1 3.42Å; L103-T105 VanDerWaalsContact C-N 3.32Å; T105-E109 HydrophobicContact CG2-CB 3.91Å; T105-L113 HydrophobicContact CG2-CD1 4.33Å; T105-I188 HydrophobicContact CG2-CD1 3.7Å; T105-I188 HydrophobicContact CG2-CG1 3.99Å
106	P	86.4	Confident	93.5	Very high	58 Å²	58	51.5 Å²	51.5	38%	0.377	28%	0.281	S	S	.	.			trans	-59.5	150.7	174.4	-23.7	35.2	0	0	0	113.1	D104 D108 E109	D104-P106 VanDerWaalsContact O-CD 3.32Å; D104-P106 WeakPolarHBondContact O-CD 3.28Å; P106-D108 VanDerWaalsContact C-N 3.26Å; P106-D108 WeakPolarHBondContact CB-OD1 3.35Å; P106-D108 PolarHBondContact O-N 2.91Å; P106-E109 HydrophobicContact CB-CG 4.2Å; P106-E109 HydrophobicContact CG-CG 4.28Å; P106-E109 PolarHBondContact O-N 3.11Å; P106-E109 VanDerWaalsContact O-N 3.15Å
107	A	82.1	Confident	93.5	Very high	89 Å²	89	51.3 Å²	51.3	74%	0.736	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-66.2	-26.6	-176	0	0	0	0	0	113.7	E109	A107-E109 VanDerWaalsContact C-N 3.29Å
108	D	86.5	Confident	93.4	Very high	135 Å²	135	48.1 Å²	48.1	72%	0.722	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-76.5	-10.4	176.7	57.1	-43.4	0	0	0	113.6	P106 H110	P106-D108 VanDerWaalsContact C-N 3.26Å; P106-D108 WeakPolarHBondContact CB-OD1 3.35Å; P106-D108 PolarHBondContact O-N 2.91Å; D108-H110 PolarHBondContact O-N 3.3Å
109	E	90.1	Very high	93.3	Very high	69 Å²	69	53.2 Å²	53.2	32%	0.322	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-82.1	7.2	174.2	-62.5	-164.9	171.6	0	0	113.7	T105 P106 A107 D111 I112 L113	T105-E109 HydrophobicContact CG2-CB 3.91Å; P106-E109 HydrophobicContact CB-CG 4.2Å; P106-E109 HydrophobicContact CG-CG 4.28Å; P106-E109 PolarHBondContact O-N 3.11Å; P106-E109 VanDerWaalsContact O-N 3.15Å; A107-E109 VanDerWaalsContact C-N 3.29Å; E109-D111 PolarHBondContact O-N 2.93Å; E109-I112 HydrophobicContact CB-CB 4.38Å; E109-I112 HydrophobicContact CB-CD1 4.37Å; E109-I112 HydrophobicContact CG-CD1 4.16Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.29Å; E109-I112 VanDerWaalsContact O-N 3.07Å; E109-L113 PolarHBondContact O-N 3.5Å
110	H	92.8	Very high	93.2	Very high	47 Å²	47	55.5 Å²	55.5	22%	0.218	29%	0.292	C	S	.	.	H	α-helix	trans	-54.4	-50	179.3	179.5	-78.6	0	0	0	112.2	D108 I112 L113 V114 Y186 L191	D108-H110 PolarHBondContact O-N 3.3Å; H110-I112 VanDerWaalsContact C-N 3.27Å; H110-I112 PolarHBondContact O-N 3.24Å; H110-L113 PolarHBondContact O-N 2.94Å; H110-V114 PolarHBondContact O-N 3.4Å; H110-V114 VanDerWaalsContact O-N 3.13Å; H110-Y186 PolarHBondContact NE2-O 3.24Å; H110-L191 WeakPolarHBondContact CD2-CD1 3.33Å; H110-L191 VanDerWaalsContact NE2-CD1 3.34Å; H110-L191 WeakPolarHBondContact NE2-CD1 3.4Å
111	D	94.2	Very high	93	Very high	99 Å²	99	54.3 Å²	54.3	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-33.9	177.7	-71.9	-33.5	0	0	0	111.9	E109 V114 N115	E109-D111 PolarHBondContact O-N 2.93Å; D111-V114 PolarHBondContact O-N 2.99Å; D111-N115 VanDerWaalsContact O-CB 3.28Å; D111-N115 WeakPolarHBondContact O-CB 3.16Å; D111-N115 PolarHBondContact O-N 3.49Å; D111-N115 PolarHBondContact O-ND2 2.81Å
112	I	95.2	Very high	92.7	Very high	96 Å²	96	49.3 Å²	49.3	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-66.5	-41.8	178	-63	174.6	0	0	0	110.3	E109 H110 N115 T116	E109-I112 HydrophobicContact CB-CB 4.38Å; E109-I112 HydrophobicContact CB-CD1 4.37Å; E109-I112 HydrophobicContact CG-CD1 4.16Å; E109-I112 WeakPolarHBondContact O-CB 3.41Å; E109-I112 PolarHBondContact O-N 3.29Å; E109-I112 VanDerWaalsContact O-N 3.07Å; H110-I112 VanDerWaalsContact C-N 3.27Å; H110-I112 PolarHBondContact O-N 3.24Å; I112-N115 PolarHBondContact O-N 3.02Å; I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 PolarHBondContact O-N 2.94Å; I112-T116 PolarHBondContact O-OG1 3.44Å
113	L	95.6	Very high	92.5	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-46.6	175.7	-69.4	179.8	0	0	0	111.5	T105 E109 H110 T116 I117 I188 L191 K195	T105-L113 HydrophobicContact CG2-CD1 4.33Å; E109-L113 PolarHBondContact O-N 3.5Å; H110-L113 PolarHBondContact O-N 2.94Å; L113-T116 PolarHBondContact O-N 2.84Å; L113-I117 WeakPolarHBondContact O-CG1 3.17Å; L113-I117 PolarHBondContact O-N 3.26Å; L113-I188 HydrophobicContact CD1-CD1 3.4Å; L113-I188 HydrophobicContact CD1-CG1 4.14Å; L113-L191 HydrophobicContact CB-CB 4.22Å; L113-L191 HydrophobicContact CB-CD1 4.35Å; L113-L191 HydrophobicContact CD1-CB 3.78Å; L113-L191 HydrophobicContact CD1-CD1 4.47Å; L113-K195 HydrophobicContact CD2-CD 3.54Å
114	V	96.5	Very high	92.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-45.6	179.2	174.7	0	0	0	0	110.6	H110 D111 T116 I117 M118 T180 F183 N184 L191	H110-V114 PolarHBondContact O-N 3.4Å; H110-V114 VanDerWaalsContact O-N 3.13Å; D111-V114 PolarHBondContact O-N 2.99Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 3.32Å; V114-I117 PolarHBondContact O-N 2.91Å; V114-M118 HydrophobicContact CG1-CG 4.34Å; V114-M118 WeakPolarHBondContact O-CB 3.33Å; V114-M118 VanDerWaalsContact O-CG 3.32Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 2.92Å; V114-T180 HydrophobicContact CG1-CG2 3.86Å; V114-F183 HydrophobicContact CG1-CB 4.12Å; V114-F183 HydrophobicContact CG2-CB 4.25Å; V114-N184 WeakPolarHBondContact CG2-OD1 3.47Å; V114-L191 HydrophobicContact CG2-CD1 3.74Å; V114-L191 HydrophobicContact CG2-CD2 3.77Å; V114-L191 HydrophobicContact CG2-CG 4.43Å
115	N	96	Very high	92.5	Very high	94 Å²	94	51.7 Å²	51.7	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-37.4	175.4	-74.7	-36.5	0	0	0	112.3	D111 I112 M118 Q119	D111-N115 VanDerWaalsContact O-CB 3.28Å; D111-N115 WeakPolarHBondContact O-CB 3.16Å; D111-N115 PolarHBondContact O-N 3.49Å; D111-N115 PolarHBondContact O-ND2 2.81Å; I112-N115 PolarHBondContact O-N 3.02Å; N115-M118 PolarHBondContact O-N 3.49Å; N115-Q119 WeakPolarHBondContact O-CG 3.36Å; N115-Q119 PolarHBondContact O-N 2.99Å; N115-Q119 VanDerWaalsContact O-N 3.14Å; N115-Q119 PolarHBondContact O-NE2 3.42Å
116	T	95.9	Very high	92.6	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.19	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.6	-55.8	0	0	0	0	111.8	I112 L113 V114 Q119 K195	I112-T116 WeakPolarHBondContact O-CB 3.38Å; I112-T116 PolarHBondContact O-N 2.94Å; I112-T116 PolarHBondContact O-OG1 3.44Å; L113-T116 PolarHBondContact O-N 2.84Å; V114-T116 VanDerWaalsContact C-N 3.28Å; V114-T116 PolarHBondContact O-N 3.32Å; T116-Q119 PolarHBondContact O-N 2.92Å; T116-K195 HydrophobicContact CG2-CD 4.37Å
117	I	97	Very high	92.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-46	174	-70.3	160	0	0	0	110.2	L113 V114 Q119 Y120 F183 L191 I194 K195 V198 V204	L113-I117 WeakPolarHBondContact O-CG1 3.17Å; L113-I117 PolarHBondContact O-N 3.26Å; V114-I117 PolarHBondContact O-N 2.91Å; I117-Q119 PolarHBondContact O-N 3.41Å; I117-Y120 PolarHBondContact O-N 3.48Å; I117-Y120 VanDerWaalsContact O-N 3.12Å; I117-F183 HydrophobicContact CG2-CD1 4.5Å; I117-F183 HydrophobicContact CG2-CD2 4Å; I117-F183 HydrophobicContact CG2-CE1 4.31Å; I117-F183 HydrophobicContact CG2-CE2 3.77Å; I117-F183 HydrophobicContact CG2-CG 4.37Å; I117-F183 HydrophobicContact CG2-CZ 3.94Å; I117-L191 HydrophobicContact CD1-CD2 3.9Å; I117-I194 HydrophobicContact CD1-CB 4.21Å; I117-I194 HydrophobicContact CD1-CG2 3.74Å; I117-I194 HydrophobicContact CG1-CG2 4.31Å; I117-I194 HydrophobicContact CG2-CG2 4.39Å; I117-K195 HydrophobicContact CD1-CB 4.19Å; I117-K195 HydrophobicContact CG1-CB 4.01Å; I117-V198 HydrophobicContact CG2-CG2 4.24Å; I117-V204 HydrophobicContact CG2-CG2 4.47Å
118	M	95.8	Very high	93.4	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-69.7	-15.9	-176.6	-70.3	-53.9	-60.4	0	0	114.3	V114 N115 Y120 A121 K176 L179 F183	V114-M118 HydrophobicContact CG1-CG 4.34Å; V114-M118 WeakPolarHBondContact O-CB 3.33Å; V114-M118 VanDerWaalsContact O-CG 3.32Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 2.92Å; N115-M118 PolarHBondContact O-N 3.49Å; M118-Y120 PolarHBondContact O-N 3.06Å; M118-A121 HydrophobicContact CE-CB 3.82Å; M118-A121 WeakPolarHBondContact O-CB 3.23Å; M118-A121 PolarHBondContact O-N 2.96Å; M118-A121 HydrophobicContact SD-CB 4.5Å; M118-K176 HydrophobicContact CE-CB 4.48Å; M118-K176 HydrophobicContact CE-CG 3.58Å; M118-L179 HydrophobicContact CE-CB 3.72Å; M118-L179 HydrophobicContact CE-CD1 4.24Å; M118-L179 HydrophobicContact SD-CB 3.85Å; M118-F183 HydrophobicContact SD-CD2 3.69Å; M118-F183 HydrophobicContact SD-CE2 3.78Å
119	Q	93.5	Very high	93.7	Very high	123 Å²	123	41.8 Å²	41.8	58%	0.575	21%	0.212	S	C	*	.	H	α-helix	trans	-63.3	-31.5	170.5	-76	168.7	51.3	0	0	112.3	N115 T116 I117 A121 T123	N115-Q119 WeakPolarHBondContact O-CG 3.36Å; N115-Q119 PolarHBondContact O-N 2.99Å; N115-Q119 VanDerWaalsContact O-N 3.14Å; N115-Q119 PolarHBondContact O-NE2 3.42Å; T116-Q119 PolarHBondContact O-N 2.92Å; I117-Q119 PolarHBondContact O-N 3.41Å; Q119-A121 VanDerWaalsContact C-N 3.33Å; Q119-T123 PolarHBondContact O-OG1 3.5Å; Q119-T123 VanDerWaalsContact O-OG1 3.09Å
120	Y	94.1	Very high	93.8	Very high	49 Å²	49	39.9 Å²	39.9	19%	0.192	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.7	176.8	-72.3	-91.9	0	0	0	112.9	I117 M118 D122 T123 D124 V198 E199 K202	I117-Y120 PolarHBondContact O-N 3.48Å; I117-Y120 VanDerWaalsContact O-N 3.12Å; M118-Y120 PolarHBondContact O-N 3.06Å; Y120-D122 VanDerWaalsContact C-N 3.28Å; Y120-D122 PolarHBondContact O-N 2.72Å; Y120-T123 CarbonylContact O-C 3.34Å; Y120-T123 PolarHBondContact O-N 3.49Å; Y120-T123 VanDerWaalsContact O-N 3.16Å; Y120-D124 VanDerWaalsContact O-CA 3.29Å; Y120-D124 WeakPolarHBondContact O-CA 3.46Å; Y120-D124 WeakPolarHBondContact O-CB 3.22Å; Y120-D124 PolarHBondContact O-N 3.06Å; Y120-V198 VanDerWaalsContact CB-CG1 3.49Å; Y120-V198 HydrophobicContact CD1-CG1 4.05Å; Y120-V198 HydrophobicContact CD2-CG1 3.48Å; Y120-V198 VanDerWaalsContact CD2-CG1 3.48Å; Y120-V198 HydrophobicContact CE2-CG1 4.17Å; Y120-V198 HydrophobicContact CG-CG1 3.4Å; Y120-E199 HydrophobicContact CE2-CG 4.19Å; Y120-K202 HydrophobicContact CE1-CD 3.8Å
121	A	93	Very high	93.7	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.8	-178.9	0	0	0	0	0	112.8	M118 Q119 V204	M118-A121 HydrophobicContact CE-CB 3.82Å; M118-A121 WeakPolarHBondContact O-CB 3.23Å; M118-A121 PolarHBondContact O-N 2.96Å; M118-A121 HydrophobicContact SD-CB 4.5Å; Q119-A121 VanDerWaalsContact C-N 3.33Å; A121-V204 HydrophobicContact CB-CG2 4.32Å
122	D	89.1	Confident	93.5	Very high	28 Å²	28	46.2 Å²	46.2	15%	0.15	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13	177.2	-64.4	-42.7	0	0	0	112.6	Y120 L171 K176	Y120-D122 VanDerWaalsContact C-N 3.28Å; Y120-D122 PolarHBondContact O-N 2.72Å; D122-L171 PolarHBondContact OD1-N 2.94Å; D122-K176 IonicContact OD2-NZ 3.05Å; D122-K176 PolarHBondContact OD2-NZ 3.04Å
123	T	90.5	Very high	93.3	Very high	80 Å²	80	44.7 Å²	44.7	49%	0.491	23%	0.229	S	C	.	.	S	Bend	trans	-126.9	27.2	-175	54	0	0	0	0	112.3	Q119 Y120 T125	Q119-T123 PolarHBondContact O-OG1 3.5Å; Q119-T123 VanDerWaalsContact O-OG1 3.09Å; Y120-T123 CarbonylContact O-C 3.34Å; Y120-T123 PolarHBondContact O-N 3.49Å; Y120-T123 VanDerWaalsContact O-N 3.16Å; T123-T125 PolarHBondContact O-N 2.89Å
124	D	93.8	Very high	93.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.			trans	-68.1	128.5	-171.3	-164.5	-56.2	0	0	0	111.2	Y120 I126 C127 F128 S203 V204 Y205	Y120-D124 VanDerWaalsContact O-CA 3.29Å; Y120-D124 WeakPolarHBondContact O-CA 3.46Å; Y120-D124 WeakPolarHBondContact O-CB 3.22Å; Y120-D124 PolarHBondContact O-N 3.06Å; D124-I126 PolarHBondContact O-N 2.93Å; D124-I126 WeakPolarHBondContact OD1-CG1 3.18Å; D124-I126 PolarHBondContact OD1-N 3.29Å; D124-C127 HydrophobicContact CB-CB 4.47Å; D124-C127 WeakPolarHBondContact O-CB 3.44Å; D124-C127 PolarHBondContact O-N 3.16Å; D124-F128 WeakPolarHBondContact O-CD2 3.27Å; D124-S203 VanDerWaalsContact CG-OG 3.23Å; D124-S203 WeakPolarHBondContact OD1-CA 3.38Å; D124-S203 WeakPolarHBondContact OD1-CB 3.28Å; D124-S203 PolarHBondContact OD1-OG 2.76Å; D124-S203 VanDerWaalsContact OD2-CA 3.28Å; D124-S203 WeakPolarHBondContact OD2-CA 3.2Å; D124-S203 PolarHBondContact OD2-OG 3.34Å; D124-V204 PolarHBondContact OD2-N 2.71Å; D124-Y205 HydrophobicContact CB-CD2 3.89Å; D124-Y205 HydrophobicContact CB-CE2 3.8Å; D124-Y205 WeakPolarHBondContact OD2-CD2 3.33Å; D124-Y205 PolarHBondContact OD2-N 3.34Å
125	T	92.7	Very high	93.2	Very high	46 Å²	46	55.4 Å²	55.4	28%	0.282	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28	-173.6	-164.3	0	0	0	0	114.3	T123 C127 K202	T123-T125 PolarHBondContact O-N 2.89Å; T125-C127 VanDerWaalsContact C-N 3.31Å; T125-K202 HydrophobicContact CG2-CB 4.46Å; T125-K202 PolarHBondContact N-O 3.13Å
126	I	93.8	Very high	93.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.8	-179	75.5	175.7	0	0	0	113.1	D124 W144 I147 I148 Y205 L206	D124-I126 PolarHBondContact O-N 2.93Å; D124-I126 WeakPolarHBondContact OD1-CG1 3.18Å; D124-I126 PolarHBondContact OD1-N 3.29Å; I126-W144 HydrophobicContact CB-CB 4.23Å; I126-W144 HydrophobicContact CB-CD2 3.97Å; I126-W144 HydrophobicContact CB-CE3 4.38Å; I126-W144 HydrophobicContact CB-CG 3.9Å; I126-W144 HydrophobicContact CG2-CD2 4.17Å; I126-W144 HydrophobicContact CG2-CG 4.05Å; I126-I147 HydrophobicContact CD1-CB 4.43Å; I126-I147 HydrophobicContact CD1-CG2 3.91Å; I126-I148 HydrophobicContact CD1-CD1 4.39Å; I126-I148 HydrophobicContact CD1-CG1 3.8Å; I126-I148 HydrophobicContact CG1-CD1 4.35Å; I126-I148 HydrophobicContact CG1-CG1 4.27Å; I126-Y205 HydrophobicContact CD1-CD2 3.93Å; I126-Y205 HydrophobicContact CD1-CG 4.2Å; I126-Y205 HydrophobicContact CG1-CD2 3.99Å; I126-L206 HydrophobicContact CG2-CD1 3.91Å; I126-L206 HydrophobicContact CG2-CD2 4.47Å; I126-L206 HydrophobicContact CG2-CG 4.02Å
127	C	93.1	Very high	93.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.9	177.1	-80.8	0	0	0	0	112.7	D124 T125 I160 I161 T162 Y205	D124-C127 HydrophobicContact CB-CB 4.47Å; D124-C127 WeakPolarHBondContact O-CB 3.44Å; D124-C127 PolarHBondContact O-N 3.16Å; T125-C127 VanDerWaalsContact C-N 3.31Å; C127-I160 WeakPolarHBondContact CB-O 3.33Å; C127-I160 PolarHBondContact SG-O 3.2Å; C127-I161 WeakPolarHBondContact O-CA 3.48Å; C127-T162 PolarHBondContact O-N 3.37Å; C127-Y205 VanDerWaalsContact SG-CE2 3.59Å
128	F	92.1	Very high	93	Very high	58 Å²	58	58 Å²	58	25%	0.254	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-98.2	107.1	176.8	-70.4	-96	0	0	0	109.6	D124 T162 A169	D124-F128 WeakPolarHBondContact O-CD2 3.27Å; F128-T162 CarbonylContact C-O 3.56Å; F128-T162 VanDerWaalsContact CA-O 3.31Å; F128-T162 WeakPolarHBondContact CA-O 3.18Å; F128-T162 HydrophobicContact CD1-CG2 3.49Å; F128-T162 VanDerWaalsContact CD1-CG2 3.49Å; F128-T162 HydrophobicContact CE1-CG2 3.41Å; F128-T162 VanDerWaalsContact CE1-CG2 3.41Å; F128-T162 HydrophobicContact CG-CG2 4.13Å; F128-T162 HydrophobicContact CZ-CG2 3.96Å; F128-A169 HydrophobicContact CE2-CB 4.45Å; F128-A169 HydrophobicContact CZ-CB 4.3Å
129	R	92.7	Very high	93	Very high	32 Å²	32	60.7 Å²	60.7	12%	0.121	31%	0.31	C	S	.	.			trans	-106.4	149.8	-175.1	-61.8	-168.9	-176.7	-174.8	0.8	112.3	W144 D145 I148 I161 T162 D163	R129-W144 HydrophobicContact CG-CE3 4.31Å; R129-W144 HydrophobicContact CG-CZ3 4.25Å; R129-D145 IonicContact CZ-OD1 2.63Å; R129-D145 IonicContact NH1-OD1 2.74Å; R129-D145 PolarHBondContact NH1-OD1 3.02Å; R129-D145 IonicContact NH1-OD2 3.13Å; R129-D145 IonicContact NH2-OD1 2.76Å; R129-D145 PolarHBondContact NH2-OD1 3.36Å; R129-I148 VanDerWaalsContact NH2-CD1 3.33Å; R129-I161 HydrophobicContact CG-CG2 3.87Å; R129-T162 PolarHBondContact N-O 2.95Å; R129-D163 WeakPolarHBondContact O-CA 3.42Å
130	C	91.6	Very high	93.1	Very high	30 Å²	30	54.9 Å²	54.9	20%	0.203	28%	0.283	C	S	.	.			trans	-78.6	152.9	172.9	-57.2	0	0	0	0	110.3	L136 V137 Q140	C130-L136 HydrophobicContact CB-CD2 4.17Å; C130-V137 VanDerWaalsContact O-CG2 3.25Å; C130-V137 WeakPolarHBondContact O-CG2 3.46Å; C130-Q140 PolarHBondContact SG-NE2 3.35Å; C130-Q140 VanDerWaalsContact SG-NE2 3.41Å
131	Q	90.7	Very high	93.2	Very high	118 Å²	118	54 Å²	54	55%	0.551	28%	0.284	S	S	*	.			trans	-95.7	-24.4	168	-70.1	-60.1	-45.6	0	0	112.3	V137 D163	Q131-V137 VanDerWaalsContact C-CG2 3.44Å; Q131-V137 VanDerWaalsContact O-CG2 3.31Å; Q131-V137 WeakPolarHBondContact O-CG2 3.41Å; Q131-D163 HydrophobicContact CG-CB 3.96Å; Q131-D163 PolarHBondContact NE2-OD2 2.89Å
132	E	90.1	Very high	93.4	Very high	161 Å²	161	59.6 Å²	59.6	75%	0.752	31%	0.314	S	S	*	.	S	Bend	trans	-142.8	152.3	179.7	-67.2	-176.9	177.5	0	0	110.3
133	P	92.8	Very high	93.7	Very high	63 Å²	63	59.3 Å²	59.3	41%	0.409	31%	0.314	S	S	.	.	S	Bend	cis	-75.8	156.1	-8	31.7	-35.5	0	0	0	112.8	D135 L136 V137 F230	P133-D135 PolarHBondContact O-N 2.76Å; P133-D135 VanDerWaalsContact O-N 3.09Å; P133-L136 HydrophobicContact CG-CB 3.96Å; P133-L136 WeakPolarHBondContact O-CA 3.36Å; P133-L136 WeakPolarHBondContact O-CB 3.32Å; P133-L136 PolarHBondContact O-N 2.72Å; P133-V137 PolarHBondContact O-N 3.41Å; P133-V137 VanDerWaalsContact O-N 3.12Å; P133-F230 HydrophobicContact CG-CE1 3.66Å; P133-F230 HydrophobicContact CG-CZ 3.65Å
134	D	94.2	Very high	94.1	Very high	131 Å²	131	55.9 Å²	55.9	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-49.4	-39.4	-178.3	-71.3	-21.1	0	0	0	113.8	L136 V137 K138	D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.01Å; D134-V137 PolarHBondContact O-N 2.89Å; D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 PolarHBondContact O-N 3.12Å
135	D	94.4	Very high	94.2	Very high	110 Å²	110	58.4 Å²	58.4	59%	0.588	31%	0.305	S	S	*	.	H	α-helix	trans	-61.5	-40.8	178.1	-68.3	-30.2	0	0	0	111.8	P133 V139 F230	P133-D135 PolarHBondContact O-N 2.76Å; P133-D135 VanDerWaalsContact O-N 3.09Å; D135-V139 VanDerWaalsContact O-CG2 3.3Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 3.32Å; D135-V139 VanDerWaalsContact O-N 3.08Å; D135-F230 HydrophobicContact CB-CE2 3.84Å; D135-F230 HydrophobicContact CB-CZ 4.13Å
136	L	94.6	Very high	94.4	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-43.2	176.9	177.3	59.8	0	0	0	110.9	C130 P133 D134 K138 V139 Q140 I226 E227 F230	C130-L136 HydrophobicContact CB-CD2 4.17Å; P133-L136 HydrophobicContact CG-CB 3.96Å; P133-L136 WeakPolarHBondContact O-CA 3.36Å; P133-L136 WeakPolarHBondContact O-CB 3.32Å; P133-L136 PolarHBondContact O-N 2.72Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 3.01Å; L136-K138 PolarHBondContact O-N 3.23Å; L136-V139 PolarHBondContact O-N 2.86Å; L136-V139 VanDerWaalsContact O-N 3.16Å; L136-Q140 HydrophobicContact CD1-CG 4.06Å; L136-Q140 HydrophobicContact CG-CG 4.33Å; L136-Q140 WeakPolarHBondContact O-CB 3.44Å; L136-Q140 WeakPolarHBondContact O-CG 3.44Å; L136-Q140 PolarHBondContact O-N 2.88Å; L136-I226 HydrophobicContact CD1-CG2 4.15Å; L136-E227 HydrophobicContact CD2-CG 4.25Å; L136-F230 HydrophobicContact CB-CD1 4.19Å; L136-F230 HydrophobicContact CB-CD2 4.18Å; L136-F230 HydrophobicContact CB-CE1 4.07Å; L136-F230 HydrophobicContact CB-CE2 4.06Å; L136-F230 HydrophobicContact CB-CG 4.25Å; L136-F230 HydrophobicContact CB-CZ 4.01Å; L136-F230 HydrophobicContact CD1-CB 3.83Å; L136-F230 HydrophobicContact CD1-CD1 4.24Å; L136-F230 HydrophobicContact CD1-CD2 4.18Å; L136-F230 HydrophobicContact CD1-CG 3.83Å; L136-F230 HydrophobicContact CD2-CD1 4.37Å; L136-F230 HydrophobicContact CG-CG 4.49Å
137	V	95.2	Very high	94.5	Very high	35 Å²	35	59.1 Å²	59.1	21%	0.212	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-43.1	176.7	-177.1	0	0	0	0	110.9	C130 Q131 P133 D134 S141	C130-V137 VanDerWaalsContact O-CG2 3.25Å; C130-V137 WeakPolarHBondContact O-CG2 3.46Å; Q131-V137 VanDerWaalsContact C-CG2 3.44Å; Q131-V137 VanDerWaalsContact O-CG2 3.31Å; Q131-V137 WeakPolarHBondContact O-CG2 3.41Å; P133-V137 PolarHBondContact O-N 3.41Å; P133-V137 VanDerWaalsContact O-N 3.12Å; D134-V137 PolarHBondContact O-N 2.89Å; V137-S141 WeakPolarHBondContact O-CB 3.5Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.11Å
138	K	95.6	Very high	94.6	Very high	139 Å²	139	59.4 Å²	59.4	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-63.7	-46.1	176.7	-174.5	175.8	179.8	-179.4	0	111.9	D134 L136 S141 L142	D134-K138 WeakPolarHBondContact O-CB 3.45Å; D134-K138 PolarHBondContact O-N 3.12Å; L136-K138 PolarHBondContact O-N 3.23Å; K138-S141 PolarHBondContact O-N 3.41Å; K138-L142 HydrophobicContact CG-CD1 3.91Å; K138-L142 HydrophobicContact CG-CG 4.45Å; K138-L142 WeakPolarHBondContact O-CB 3.33Å; K138-L142 VanDerWaalsContact O-CG 3.25Å; K138-L142 WeakPolarHBondContact O-CG 3.43Å; K138-L142 PolarHBondContact O-N 3.29Å
139	V	95.4	Very high	94.9	Very high	60 Å²	60	61.7 Å²	61.7	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-43.7	178.6	173.8	0	0	0	0	111.5	D135 L136 S143 I226	D135-V139 VanDerWaalsContact O-CG2 3.3Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 3.32Å; D135-V139 VanDerWaalsContact O-N 3.08Å; L136-V139 PolarHBondContact O-N 2.86Å; L136-V139 VanDerWaalsContact O-N 3.16Å; V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.43Å; V139-S143 PolarHBondContact O-OG 2.86Å; V139-I226 HydrophobicContact CG1-CG2 3.69Å
140	Q	96.2	Very high	95.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-49	175.5	-76.6	-175.9	-17.5	0	0	111	C130 L136 S143 W144 I226	C130-Q140 PolarHBondContact SG-NE2 3.35Å; C130-Q140 VanDerWaalsContact SG-NE2 3.41Å; L136-Q140 HydrophobicContact CD1-CG 4.06Å; L136-Q140 HydrophobicContact CG-CG 4.33Å; L136-Q140 WeakPolarHBondContact O-CB 3.44Å; L136-Q140 WeakPolarHBondContact O-CG 3.44Å; L136-Q140 PolarHBondContact O-N 2.88Å; Q140-S143 PolarHBondContact O-N 3.39Å; Q140-W144 HydrophobicContact CB-CD2 4.32Å; Q140-W144 HydrophobicContact CB-CE3 3.69Å; Q140-W144 HydrophobicContact CB-CH2 4.36Å; Q140-W144 HydrophobicContact CB-CZ3 3.73Å; Q140-W144 HydrophobicContact CG-CE3 3.92Å; Q140-W144 HydrophobicContact CG-CH2 3.64Å; Q140-W144 HydrophobicContact CG-CZ2 4.24Å; Q140-W144 HydrophobicContact CG-CZ3 3.45Å; Q140-W144 VanDerWaalsContact CG-CZ3 3.45Å; Q140-W144 VanDerWaalsContact NE2-CH2 3.35Å; Q140-W144 VanDerWaalsContact O-CB 3.28Å; Q140-W144 WeakPolarHBondContact O-CB 3.32Å; Q140-W144 PolarHBondContact O-N 3.34Å; Q140-I226 HydrophobicContact CG-CG2 4.16Å
141	S	95.7	Very high	95.2	Very high	31 Å²	31	60.7 Å²	60.7	22%	0.217	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-50.5	-179.1	-55.5	0	0	0	0	111.3	V137 K138 S143 D145	V137-S141 WeakPolarHBondContact O-CB 3.5Å; V137-S141 PolarHBondContact O-N 3.39Å; V137-S141 PolarHBondContact O-OG 3.11Å; K138-S141 PolarHBondContact O-N 3.41Å; S141-S143 PolarHBondContact O-N 2.89Å; S141-S143 VanDerWaalsContact O-N 3.16Å; S141-D145 WeakPolarHBondContact O-CB 3.38Å; S141-D145 PolarHBondContact O-N 3.49Å; S141-D145 VanDerWaalsContact O-OD2 3.08Å
142	L	96.8	Very high	95.5	Very high	120 Å²	120	58.1 Å²	58.1	63%	0.628	31%	0.308	S	S	*	.	H	α-helix	trans	-59.1	-31	178.9	-72.7	173	0	0	0	113.5	K138 P146	K138-L142 HydrophobicContact CG-CD1 3.91Å; K138-L142 HydrophobicContact CG-CG 4.45Å; K138-L142 WeakPolarHBondContact O-CB 3.33Å; K138-L142 VanDerWaalsContact O-CG 3.25Å; K138-L142 WeakPolarHBondContact O-CG 3.43Å; K138-L142 PolarHBondContact O-N 3.29Å; L142-P146 WeakPolarHBondContact O-CD 3.27Å; L142-P146 WeakPolarHBondContact O-CG 3.41Å
143	S	96.4	Very high	95.7	Very high	22 Å²	22	59 Å²	59	15%	0.154	31%	0.31	C	S	.	.	H	α-helix	trans	-94.1	-38.4	-173.9	-56.4	0	0	0	0	113.4	V139 Q140 S141	V139-S143 WeakPolarHBondContact O-CB 3.43Å; V139-S143 PolarHBondContact O-N 3.43Å; V139-S143 PolarHBondContact O-OG 2.86Å; Q140-S143 PolarHBondContact O-N 3.39Å; S141-S143 PolarHBondContact O-N 2.89Å; S141-S143 VanDerWaalsContact O-N 3.16Å
144	W	97.4	Very high	95.8	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-93.5	-30.5	-175.6	-63.2	-26.3	0	0	0	113.7	I126 R129 Q140 P146 I147 I148 L223 I226	I126-W144 HydrophobicContact CB-CB 4.23Å; I126-W144 HydrophobicContact CB-CD2 3.97Å; I126-W144 HydrophobicContact CB-CE3 4.38Å; I126-W144 HydrophobicContact CB-CG 3.9Å; I126-W144 HydrophobicContact CG2-CD2 4.17Å; I126-W144 HydrophobicContact CG2-CG 4.05Å; R129-W144 HydrophobicContact CG-CE3 4.31Å; R129-W144 HydrophobicContact CG-CZ3 4.25Å; Q140-W144 HydrophobicContact CB-CD2 4.32Å; Q140-W144 HydrophobicContact CB-CE3 3.69Å; Q140-W144 HydrophobicContact CB-CH2 4.36Å; Q140-W144 HydrophobicContact CB-CZ3 3.73Å; Q140-W144 HydrophobicContact CG-CE3 3.92Å; Q140-W144 HydrophobicContact CG-CH2 3.64Å; Q140-W144 HydrophobicContact CG-CZ2 4.24Å; Q140-W144 HydrophobicContact CG-CZ3 3.45Å; Q140-W144 VanDerWaalsContact CG-CZ3 3.45Å; Q140-W144 VanDerWaalsContact NE2-CH2 3.35Å; Q140-W144 VanDerWaalsContact O-CB 3.28Å; Q140-W144 WeakPolarHBondContact O-CB 3.32Å; Q140-W144 PolarHBondContact O-N 3.34Å; W144-P146 VanDerWaalsContact C-CD 3.47Å; W144-P146 VanDerWaalsContact C-N 3.34Å; W144-I147 WeakPolarHBondContact O-CB 3.44Å; W144-I147 PolarHBondContact O-N 3.11Å; W144-I148 PolarHBondContact O-N 3.34Å; W144-L223 PolarHBondContact NE1-O 3.12Å; W144-I226 HydrophobicContact CZ2-CB 4.17Å; W144-I226 HydrophobicContact CZ2-CD1 4.28Å; W144-I226 VanDerWaalsContact NE1-CD1 3.32Å
145	D	96.4	Very high	95.8	Very high	53 Å²	53	55.8 Å²	55.8	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-56.3	-41.1	177.7	-71.3	-25.8	0	0	0	113.2	R129 S141 I147 I148 N149	R129-D145 IonicContact CZ-OD1 2.63Å; R129-D145 IonicContact NH1-OD1 2.74Å; R129-D145 PolarHBondContact NH1-OD1 3.02Å; R129-D145 IonicContact NH1-OD2 3.13Å; R129-D145 IonicContact NH2-OD1 2.76Å; R129-D145 PolarHBondContact NH2-OD1 3.36Å; S141-D145 WeakPolarHBondContact O-CB 3.38Å; S141-D145 PolarHBondContact O-N 3.49Å; S141-D145 VanDerWaalsContact O-OD2 3.08Å; D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 3.09Å; D145-I148 PolarHBondContact O-N 3.03Å; D145-N149 VanDerWaalsContact O-CB 3.25Å; D145-N149 WeakPolarHBondContact O-CB 3.36Å; D145-N149 PolarHBondContact O-N 3.42Å; D145-N149 PolarHBondContact O-ND2 3.25Å
146	P	97.1	Very high	95.8	Very high	55 Å²	55	57.5 Å²	57.5	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-40.1	175.4	-26.1	36.1	0	0	0	113.1	L142 W144 W150	L142-P146 WeakPolarHBondContact O-CD 3.27Å; L142-P146 WeakPolarHBondContact O-CG 3.41Å; W144-P146 VanDerWaalsContact C-CD 3.47Å; W144-P146 VanDerWaalsContact C-N 3.34Å; P146-W150 VanDerWaalsContact O-CB 3.25Å; P146-W150 WeakPolarHBondContact O-CB 3.34Å; P146-W150 PolarHBondContact O-N 3.18Å
147	I	96.9	Very high	95.8	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-48.1	179	-58.3	-72.1	0	0	0	110.1	I126 W144 D145 N149 W150 V151 L206 A209 Y214 C215 L223	I126-I147 HydrophobicContact CD1-CB 4.43Å; I126-I147 HydrophobicContact CD1-CG2 3.91Å; W144-I147 WeakPolarHBondContact O-CB 3.44Å; W144-I147 PolarHBondContact O-N 3.11Å; D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 3.09Å; I147-N149 VanDerWaalsContact C-N 3.35Å; I147-N149 PolarHBondContact O-N 3.42Å; I147-W150 PolarHBondContact O-N 3Å; I147-V151 HydrophobicContact CG2-CG2 4.42Å; I147-V151 WeakPolarHBondContact O-CB 3.12Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 2.86Å; I147-L206 HydrophobicContact CD1-CD2 4.3Å; I147-L206 HydrophobicContact CG1-CD2 4.12Å; I147-L206 HydrophobicContact CG2-CD2 4.16Å; I147-A209 HydrophobicContact CD1-CB 4.12Å; I147-A209 HydrophobicContact CG2-CB 4.37Å; I147-Y214 HydrophobicContact CD1-CD1 3.88Å; I147-Y214 HydrophobicContact CD1-CE1 3.76Å; I147-C215 HydrophobicContact CD1-CB 4.42Å; I147-L223 HydrophobicContact CD1-CD1 3.92Å; I147-L223 HydrophobicContact CG1-CD1 3.92Å
148	I	95.5	Very high	95.6	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-43.5	-179.9	-65.8	178.6	0	0	0	110.8	I126 R129 W144 D145 W150 V151 N152 P159 I161	I126-I148 HydrophobicContact CD1-CD1 4.39Å; I126-I148 HydrophobicContact CD1-CG1 3.8Å; I126-I148 HydrophobicContact CG1-CD1 4.35Å; I126-I148 HydrophobicContact CG1-CG1 4.27Å; R129-I148 VanDerWaalsContact NH2-CD1 3.33Å; W144-I148 PolarHBondContact O-N 3.34Å; D145-I148 PolarHBondContact O-N 3.03Å; I148-W150 VanDerWaalsContact C-N 3.35Å; I148-W150 PolarHBondContact O-N 3.43Å; I148-V151 PolarHBondContact O-N 2.93Å; I148-N152 VanDerWaalsContact O-CB 3.27Å; I148-N152 WeakPolarHBondContact O-CB 3.36Å; I148-N152 PolarHBondContact O-N 3.48Å; I148-P159 HydrophobicContact CG2-CB 4.2Å; I148-P159 HydrophobicContact CG2-CG 4.17Å; I148-I161 HydrophobicContact CD1-CD1 3.85Å; I148-I161 HydrophobicContact CD1-CG1 3.82Å
149	N	96.5	Very high	95.5	Very high	105 Å²	105	56.6 Å²	56.6	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-63.5	-41	176.7	-72.5	-32.5	0	0	0	111.8	D145 I147 N152 K153	D145-N149 VanDerWaalsContact O-CB 3.25Å; D145-N149 WeakPolarHBondContact O-CB 3.36Å; D145-N149 PolarHBondContact O-N 3.42Å; D145-N149 PolarHBondContact O-ND2 3.25Å; I147-N149 VanDerWaalsContact C-N 3.35Å; I147-N149 PolarHBondContact O-N 3.42Å; N149-N152 PolarHBondContact O-N 3.43Å; N149-K153 WeakPolarHBondContact O-CB 3.03Å; N149-K153 PolarHBondContact O-N 2.98Å
150	W	96.9	Very high	95.2	Very high	42 Å²	42	57.7 Å²	57.7	16%	0.159	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-47.6	175.4	174.8	85.6	0	0	0	111.6	P146 I147 I148 N152 K153 H154 Y155 L208 A209 D212 Y214	P146-W150 VanDerWaalsContact O-CB 3.25Å; P146-W150 WeakPolarHBondContact O-CB 3.34Å; P146-W150 PolarHBondContact O-N 3.18Å; I147-W150 PolarHBondContact O-N 3Å; I148-W150 VanDerWaalsContact C-N 3.35Å; I148-W150 PolarHBondContact O-N 3.43Å; W150-N152 VanDerWaalsContact C-N 3.28Å; W150-N152 PolarHBondContact O-N 3.31Å; W150-K153 PolarHBondContact O-N 3.43Å; W150-H154 HydrophobicContact CD2-CB 4.47Å; W150-H154 HydrophobicContact CZ2-CB 4.19Å; W150-H154 AromaticContact CZ2-CG 3.95Å; W150-H154 AromaticContact CZ2-ND1 3.96Å; W150-H154 VanDerWaalsContact O-CB 3.3Å; W150-H154 WeakPolarHBondContact O-CB 3.38Å; W150-H154 PolarHBondContact O-N 3.4Å; W150-Y155 AromaticContact CH2-CE2 3.7Å; W150-Y155 HydrophobicContact CH2-CE2 3.7Å; W150-Y155 HydrophobicContact CZ3-CD2 4.43Å; W150-Y155 AromaticContact CZ3-CE2 3.88Å; W150-Y155 HydrophobicContact CZ3-CE2 3.88Å; W150-L208 HydrophobicContact CZ3-CB 4.46Å; W150-A209 HydrophobicContact CE3-CB 4.15Å; W150-A209 HydrophobicContact CH2-CB 4.5Å; W150-A209 VanDerWaalsContact CZ3-CA 3.42Å; W150-A209 HydrophobicContact CZ3-CB 3.85Å; W150-D212 HydrophobicContact CH2-CB 3.7Å; W150-D212 VanDerWaalsContact CH2-OD2 3.22Å; W150-D212 WeakPolarHBondContact CH2-OD2 3.37Å; W150-D212 HydrophobicContact CZ2-CB 3.65Å; W150-Y214 HydrophobicContact CB-CD1 4.15Å; W150-Y214 HydrophobicContact CB-CD2 4.48Å; W150-Y214 HydrophobicContact CB-CE1 3.77Å; W150-Y214 HydrophobicContact CB-CE2 4.13Å; W150-Y214 HydrophobicContact CB-CG 4.49Å; W150-Y214 AromaticContact CD1-CD2 3.26Å; W150-Y214 AromaticContact CD1-CE2 3.43Å; W150-Y214 VanDerWaalsContact CD1-CE2 3.43Å; W150-Y214 AromaticContact CD1-CG 3.67Å; W150-Y214 AromaticContact CD1-CZ 3.98Å; W150-Y214 AromaticContact CD2-CD1 3.85Å; W150-Y214 HydrophobicContact CD2-CD1 3.85Å; W150-Y214 HydrophobicContact CD2-CD2 4.12Å; W150-Y214 HydrophobicContact CD2-CE1 4.38Å; W150-Y214 AromaticContact CD2-CG 3.7Å; W150-Y214 HydrophobicContact CD2-CG 3.7Å; W150-Y214 AromaticContact CE2-CD2 3.99Å; W150-Y214 AromaticContact CE2-CG 3.71Å; W150-Y214 HydrophobicContact CE3-CD1 4.21Å; W150-Y214 HydrophobicContact CE3-CG 4.36Å; W150-Y214 AromaticContact CG-CD1 3.79Å; W150-Y214 HydrophobicContact CG-CD1 3.79Å; W150-Y214 AromaticContact CG-CD2 3.72Å; W150-Y214 HydrophobicContact CG-CD2 3.72Å; W150-Y214 AromaticContact CG-CE1 3.87Å; W150-Y214 HydrophobicContact CG-CE1 3.87Å; W150-Y214 AromaticContact CG-CE2 3.8Å; W150-Y214 HydrophobicContact CG-CE2 3.8Å; W150-Y214 AromaticContact CG-CG 3.71Å; W150-Y214 HydrophobicContact CG-CG 3.71Å; W150-Y214 AromaticContact CG-CZ 3.88Å; W150-Y214 HydrophobicContact CZ2-CG 4.39Å; W150-Y214 AromaticContact NE1-CD2 3.42Å; W150-Y214 AromaticContact NE1-CG 3.66Å
151	V	95.6	Very high	95	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-43.9	176.1	167.6	0	0	0	0	110.5	I147 I148 K153 H154 Y155 I157 P159 Y205	I147-V151 HydrophobicContact CG2-CG2 4.42Å; I147-V151 WeakPolarHBondContact O-CB 3.12Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 2.86Å; I148-V151 PolarHBondContact O-N 2.93Å; V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.14Å; V151-H154 PolarHBondContact O-N 3.4Å; V151-Y155 HydrophobicContact CG1-CD2 4.4Å; V151-Y155 WeakPolarHBondContact O-CB 3.37Å; V151-Y155 PolarHBondContact O-N 3.2Å; V151-I157 HydrophobicContact CG1-CD1 3.49Å; V151-I157 VanDerWaalsContact CG1-CD1 3.49Å; V151-I157 HydrophobicContact CG1-CG1 3.6Å; V151-P159 HydrophobicContact CG1-CG 4.14Å; V151-Y205 HydrophobicContact CG1-CD1 3.75Å; V151-Y205 HydrophobicContact CG1-CE1 4.11Å; V151-Y205 HydrophobicContact CG2-CD1 4.22Å; V151-Y205 HydrophobicContact CG2-CG 4.48Å
152	N	95.3	Very high	94.7	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-46.6	178.8	-175.5	-66.7	0	0	0	112.1	I148 N149 W150 Q156 I157	I148-N152 VanDerWaalsContact O-CB 3.27Å; I148-N152 WeakPolarHBondContact O-CB 3.36Å; I148-N152 PolarHBondContact O-N 3.48Å; N149-N152 PolarHBondContact O-N 3.43Å; W150-N152 VanDerWaalsContact C-N 3.28Å; W150-N152 PolarHBondContact O-N 3.31Å; N152-Q156 WeakPolarHBondContact O-CA 3.15Å; N152-Q156 PolarHBondContact O-N 3.39Å; N152-I157 WeakPolarHBondContact CA-O 3.3Å; N152-I157 PolarHBondContact ND2-O 3.16Å
153	K	95.8	Very high	94.2	Very high	181 Å²	181	59.2 Å²	59.2	79%	0.787	29%	0.292	S	S	*	.	H	α-helix	trans	-70.8	-43.4	179.8	-172	179.4	178.7	-178.5	0	112.7	N149 W150 V151	N149-K153 WeakPolarHBondContact O-CB 3.03Å; N149-K153 PolarHBondContact O-N 2.98Å; W150-K153 PolarHBondContact O-N 3.43Å; V151-K153 VanDerWaalsContact C-N 3.34Å; V151-K153 PolarHBondContact O-N 3.14Å
154	H	95	Very high	93.4	Very high	99 Å²	99	59.4 Å²	59.4	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-78.2	-46.9	-172.2	-168.9	-105.2	0	0	0	112.2	W150 V151 D212	W150-H154 HydrophobicContact CD2-CB 4.47Å; W150-H154 HydrophobicContact CZ2-CB 4.19Å; W150-H154 AromaticContact CZ2-CG 3.95Å; W150-H154 AromaticContact CZ2-ND1 3.96Å; W150-H154 VanDerWaalsContact O-CB 3.3Å; W150-H154 WeakPolarHBondContact O-CB 3.38Å; W150-H154 PolarHBondContact O-N 3.4Å; V151-H154 PolarHBondContact O-N 3.4Å; H154-D212 IonicContact CE1-OD2 3.67Å; H154-D212 PolarHBondContact CE1-OD2 3.08Å; H154-D212 IonicContact ND1-OD2 3.03Å; H154-D212 PolarHBondContact ND1-OD2 2.67Å; H154-D212 VanDerWaalsContact ND1-OD2 3.14Å
155	Y	94.2	Very high	92.1	Very high	27 Å²	27	67.7 Å²	67.7	11%	0.106	34%	0.335	C	S	.	.	H	α-helix	trans	-94.8	-6.7	-177.6	-69.3	-89	0	0	0	113.4	W150 V151 I157 L179 Y182 L208 D212	W150-Y155 AromaticContact CH2-CE2 3.7Å; W150-Y155 HydrophobicContact CH2-CE2 3.7Å; W150-Y155 HydrophobicContact CZ3-CD2 4.43Å; W150-Y155 AromaticContact CZ3-CE2 3.88Å; W150-Y155 HydrophobicContact CZ3-CE2 3.88Å; V151-Y155 HydrophobicContact CG1-CD2 4.4Å; V151-Y155 WeakPolarHBondContact O-CB 3.37Å; V151-Y155 PolarHBondContact O-N 3.2Å; Y155-I157 PolarHBondContact O-N 2.89Å; Y155-L179 HydrophobicContact CD1-CD2 4.22Å; Y155-Y182 HydrophobicContact CE1-CD1 4.28Å; Y155-Y182 AromaticContact CE1-CD2 3.84Å; Y155-Y182 HydrophobicContact CE1-CD2 3.84Å; Y155-Y182 HydrophobicContact CE1-CE1 4.24Å; Y155-Y182 AromaticContact CE1-CE2 3.78Å; Y155-Y182 HydrophobicContact CE1-CE2 3.78Å; Y155-Y182 HydrophobicContact CE1-CG 4.09Å; Y155-Y182 AromaticContact CE1-CZ 3.98Å; Y155-Y182 PolarHBondContact OH-OH 2.9Å; Y155-L208 HydrophobicContact CD2-CD1 4.33Å; Y155-L208 HydrophobicContact CE1-CD1 4.32Å; Y155-L208 HydrophobicContact CE1-CD2 4.07Å; Y155-L208 HydrophobicContact CE2-CB 3.94Å; Y155-L208 HydrophobicContact CE2-CD1 4.13Å; Y155-L208 HydrophobicContact CE2-CG 4.42Å; Y155-D212 WeakPolarHBondContact CE2-OD2 3.4Å; Y155-D212 VanDerWaalsContact OH-CG 3.29Å; Y155-D212 PolarHBondContact OH-OD1 2.8Å; Y155-D212 PolarHBondContact OH-OD2 2.78Å
156	Q	94.1	Very high	90.9	Very high	145 Å²	145	71 Å²	71	68%	0.678	36%	0.357	S	S	*	.			trans	55	40.2	-177.6	-59.6	169.8	52.9	0	0	111.9	N152 K178	N152-Q156 WeakPolarHBondContact O-CA 3.15Å; N152-Q156 PolarHBondContact O-N 3.39Å; Q156-K178 PolarHBondContact O-NZ 2.75Å
157	I	93.8	Very high	89.5	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.361	C	S	.	.			trans	-115.6	154.8	176.3	63.2	177.6	0	0	0	110.1	V151 N152 Y155 P159 D175 K178 L179 Y205	V151-I157 HydrophobicContact CG1-CD1 3.49Å; V151-I157 VanDerWaalsContact CG1-CD1 3.49Å; V151-I157 HydrophobicContact CG1-CG1 3.6Å; N152-I157 WeakPolarHBondContact CA-O 3.3Å; N152-I157 PolarHBondContact ND2-O 3.16Å; Y155-I157 PolarHBondContact O-N 2.89Å; I157-P159 WeakPolarHBondContact O-CD 3.44Å; I157-D175 HydrophobicContact CB-CB 3.88Å; I157-D175 HydrophobicContact CG2-CB 3.69Å; I157-K178 HydrophobicContact CG2-CB 4.4Å; I157-K178 HydrophobicContact CG2-CD 4.05Å; I157-L179 HydrophobicContact CD1-CD1 3.75Å; I157-L179 HydrophobicContact CD1-CD2 3.86Å; I157-L179 HydrophobicContact CD1-CG 3.92Å; I157-Y205 HydrophobicContact CD1-CE1 3.82Å
158	K	92.1	Very high	88.1	Confident	147 Å²	147	76.4 Å²	76.4	64%	0.639	39%	0.387	S	S	*	.			trans	-114.8	91.3	176.9	-63.4	-174.9	179	-179.4	0	110.1	I160 D175	K158-I160 PolarHBondContact O-N 3.15Å; K158-D175 PolarHBondContact N-OD2 3.15Å
159	P	91.5	Very high	87.1	Confident	15 Å²	15	76.3 Å²	76.3	10%	0.097	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.3	133.6	170.1	-22.5	34.8	0	0	0	109.6	I148 V151 I157 Y205	I148-P159 HydrophobicContact CG2-CB 4.2Å; I148-P159 HydrophobicContact CG2-CG 4.17Å; V151-P159 HydrophobicContact CG1-CG 4.14Å; I157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-Y205 HydrophobicContact CB-CE1 4.45Å; P159-Y205 HydrophobicContact CB-CE2 3.82Å; P159-Y205 HydrophobicContact CG-CD1 4.46Å; P159-Y205 HydrophobicContact CG-CE1 3.93Å; P159-Y205 HydrophobicContact CG-CE2 4.13Å
160	I	90.2	Very high	86.4	Confident	83 Å²	83	77.3 Å²	77.3	43%	0.426	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-90.7	128.2	176.4	-57.6	-174.9	0	0	0	107.3	C127 K158 A169 K170	C127-I160 WeakPolarHBondContact CB-O 3.33Å; C127-I160 PolarHBondContact SG-O 3.2Å; K158-I160 PolarHBondContact O-N 3.15Å; I160-A169 HydrophobicContact CB-CB 4.19Å; I160-A169 HydrophobicContact CG2-CB 4.25Å; I160-A169 WeakPolarHBondContact O-CB 3.32Å; I160-K170 WeakPolarHBondContact CD1-O 3.49Å
161	I	91.4	Very high	86	Confident	74 Å²	74	75.8 Å²	75.8	38%	0.379	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-94.5	132.5	174.3	-61.5	161.3	0	0	0	107.4	C127 R129 I148	C127-I161 WeakPolarHBondContact O-CA 3.48Å; R129-I161 HydrophobicContact CG-CG2 3.87Å; I148-I161 HydrophobicContact CD1-CD1 3.85Å; I148-I161 HydrophobicContact CD1-CG1 3.82Å
162	T	90.3	Very high	85.7	Confident	18 Å²	18	77.8 Å²	77.8	11%	0.11	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-133.7	155.1	174.3	-164.8	0	0	0	0	110.4	C127 F128 R129 S164 A169	C127-T162 PolarHBondContact O-N 3.37Å; F128-T162 CarbonylContact C-O 3.56Å; F128-T162 VanDerWaalsContact CA-O 3.31Å; F128-T162 WeakPolarHBondContact CA-O 3.18Å; F128-T162 HydrophobicContact CD1-CG2 3.49Å; F128-T162 VanDerWaalsContact CD1-CG2 3.49Å; F128-T162 HydrophobicContact CE1-CG2 3.41Å; F128-T162 VanDerWaalsContact CE1-CG2 3.41Å; F128-T162 HydrophobicContact CG-CG2 4.13Å; F128-T162 HydrophobicContact CZ-CG2 3.96Å; R129-T162 PolarHBondContact N-O 2.95Å; T162-S164 PolarHBondContact OG1-N 3.15Å; T162-S164 PolarHBondContact OG1-OG 3.03Å; T162-A169 HydrophobicContact CG2-CB 3.77Å
163	D	84.8	Confident	85.6	Confident	91 Å²	91	80.2 Å²	80.2	49%	0.487	42%	0.415	S	S	.	.			trans	-111.5	-10.9	171.9	59.6	-18.1	0	0	0	112.3	R129 Q131	R129-D163 WeakPolarHBondContact O-CA 3.42Å; Q131-D163 HydrophobicContact CG-CB 3.96Å; Q131-D163 PolarHBondContact NE2-OD2 2.89Å
164	S	80.2	Confident	85.5	Confident	27 Å²	27	77.3 Å²	77.3	19%	0.189	41%	0.408	C	S	.	.			trans	-86.9	131.3	-177.2	70	0	0	0	0	110.7	T162 T166 S167	T162-S164 PolarHBondContact OG1-N 3.15Å; T162-S164 PolarHBondContact OG1-OG 3.03Å; S164-T166 PolarHBondContact O-N 3.16Å; S164-S167 WeakPolarHBondContact OG-CB 3.28Å; S164-S167 PolarHBondContact OG-N 3.49Å; S164-S167 VanDerWaalsContact OG-N 3.12Å; S164-S167 PolarHBondContact OG-OG 2.95Å
165	M	71.4	Confident	85.5	Confident	181 Å²	181	73.3 Å²	73.3	89%	0.892	39%	0.39	S	S	*	.	S	Bend	trans	-66.9	-21.1	172.3	-164.2	65.7	-167.1	0	0	112.2
166	T	69.6	Low	85.5	Confident	123 Å²	123	75.3 Å²	75.3	76%	0.755	40%	0.399	S	S	*	.	S	Bend	trans	-97.1	-31.2	-173.1	52.5	0	0	0	0	114.1	S164	S164-T166 PolarHBondContact O-N 3.16Å
167	S	67.9	Low	85.5	Confident	63 Å²	63	72.9 Å²	72.9	44%	0.441	39%	0.387	S	S	.	.	S	Bend	trans	-81.8	125.8	179.5	-43.8	0	0	0	0	108.9	S164 A169	S164-S167 WeakPolarHBondContact OG-CB 3.28Å; S164-S167 PolarHBondContact OG-N 3.49Å; S164-S167 VanDerWaalsContact OG-N 3.12Å; S164-S167 PolarHBondContact OG-OG 2.95Å; S167-A169 PolarHBondContact O-N 3.13Å
168	L	68.7	Low	85.6	Confident	111 Å²	111	76.3 Å²	76.3	58%	0.581	40%	0.403	S	S	*	.			trans	-73	116.7	170	-77.9	75.5	0	0	0	107.9	K170	L168-K170 HydrophobicContact CB-CD 4.23Å; L168-K170 HydrophobicContact CB-CG 3.54Å; L168-K170 HydrophobicContact CD2-CD 4.39Å; L168-K170 HydrophobicContact CD2-CG 4.25Å; L168-K170 PolarHBondContact O-N 2.92Å
169	A	72.7	Confident	85.7	Confident	8 Å²	8	69.4 Å²	69.4	7%	0.066	37%	0.372	C	S	.	.			trans	-69	65.9	164.4	0	0	0	0	0	109.9	F128 I160 T162 S167 L171	F128-A169 HydrophobicContact CE2-CB 4.45Å; F128-A169 HydrophobicContact CZ-CB 4.3Å; I160-A169 HydrophobicContact CB-CB 4.19Å; I160-A169 HydrophobicContact CG2-CB 4.25Å; I160-A169 WeakPolarHBondContact O-CB 3.32Å; T162-A169 HydrophobicContact CG2-CB 3.77Å; S167-A169 PolarHBondContact O-N 3.13Å; A169-L171 PolarHBondContact O-N 2.82Å
170	K	82.7	Confident	85.9	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71.6	125.9	-176.1	-65.5	-170.5	178.3	176.4	0	110.1	I160 L168	I160-K170 WeakPolarHBondContact CD1-O 3.49Å; L168-K170 HydrophobicContact CB-CD 4.23Å; L168-K170 HydrophobicContact CB-CG 3.54Å; L168-K170 HydrophobicContact CD2-CD 4.39Å; L168-K170 HydrophobicContact CD2-CG 4.25Å; L168-K170 PolarHBondContact O-N 2.92Å
171	L	87.6	Confident	86.2	Confident	10 Å²	10	72.6 Å²	72.6	5%	0.052	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-63	144.4	170.8	-170.2	61.6	0	0	0	109.5	D122 A169 D175 K176 L179	D122-L171 PolarHBondContact OD1-N 2.94Å; A169-L171 PolarHBondContact O-N 2.82Å; L171-D175 HydrophobicContact CD1-CB 3.68Å; L171-D175 HydrophobicContact CD2-CB 4.03Å; L171-D175 HydrophobicContact CG-CB 3.68Å; L171-K176 HydrophobicContact CD2-CB 4.28Å; L171-L179 HydrophobicContact CD2-CD1 3.76Å
172	S	91.1	Very high	86.3	Confident	42 Å²	42	71.7 Å²	71.7	29%	0.294	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.2	145.6	177.2	80.1	0	0	0	0	110.3	L174 D175 K176	S172-L174 PolarHBondContact O-N 2.94Å; S172-L174 VanDerWaalsContact O-N 3.16Å; S172-D175 PolarHBondContact O-N 3.05Å; S172-D175 VanDerWaalsContact OG-CB 3.29Å; S172-D175 WeakPolarHBondContact OG-CB 3.4Å; S172-D175 PolarHBondContact OG-N 2.62Å; S172-D175 VanDerWaalsContact OG-N 3.17Å; S172-D175 PolarHBondContact OG-OD2 3.29Å; S172-K176 WeakPolarHBondContact O-CB 3.34Å; S172-K176 PolarHBondContact O-N 2.76Å
173	P	92.4	Very high	86.5	Confident	113 Å²	113	70.8 Å²	70.8	73%	0.734	37%	0.368	S	S	*	.	H	α-helix	trans	-54.6	-37.4	-180	-27.9	34.9	0	0	0	113.1	E177	P173-E177 WeakPolarHBondContact O-CB 3.4Å; P173-E177 PolarHBondContact O-N 3.46Å
174	L	94.1	Very high	87	Confident	120 Å²	120	69.3 Å²	69.3	63%	0.628	36%	0.36	S	S	*	.	H	α-helix	trans	-66.1	-42.7	177.3	-67.6	174.7	0	0	0	112.4	S172 E177 K178	S172-L174 PolarHBondContact O-N 2.94Å; S172-L174 VanDerWaalsContact O-N 3.16Å; L174-E177 PolarHBondContact O-N 3.46Å; L174-K178 WeakPolarHBondContact O-CG 3.43Å; L174-K178 PolarHBondContact O-N 3.33Å; L174-K178 VanDerWaalsContact O-N 3.12Å
175	D	94.3	Very high	87.6	Confident	15 Å²	15	70.2 Å²	70.2	8%	0.08	37%	0.366	C	S	.	.	H	α-helix	trans	-73.2	-34.8	179.6	-67.7	-25.7	0	0	0	111.6	I157 K158 L171 S172 E177 K178 L179	I157-D175 HydrophobicContact CB-CB 3.88Å; I157-D175 HydrophobicContact CG2-CB 3.69Å; K158-D175 PolarHBondContact N-OD2 3.15Å; L171-D175 HydrophobicContact CD1-CB 3.68Å; L171-D175 HydrophobicContact CD2-CB 4.03Å; L171-D175 HydrophobicContact CG-CB 3.68Å; S172-D175 PolarHBondContact O-N 3.05Å; S172-D175 VanDerWaalsContact OG-CB 3.29Å; S172-D175 WeakPolarHBondContact OG-CB 3.4Å; S172-D175 PolarHBondContact OG-N 2.62Å; S172-D175 VanDerWaalsContact OG-N 3.17Å; S172-D175 PolarHBondContact OG-OD2 3.29Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 2.87Å; D175-K178 PolarHBondContact O-N 3.49Å; D175-K178 IonicContact OD1-NZ 2.89Å; D175-K178 PolarHBondContact OD1-NZ 2.78Å; D175-L179 PolarHBondContact O-N 3.38Å; D175-L179 VanDerWaalsContact O-N 3.14Å
176	K	94.1	Very high	88.6	Confident	69 Å²	69	62.2 Å²	62.2	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-44.7	171.4	-166.2	168.7	-172	159.6	0	110.7	M118 D122 L171 S172 K178 L179 T180	M118-K176 HydrophobicContact CE-CB 4.48Å; M118-K176 HydrophobicContact CE-CG 3.58Å; D122-K176 IonicContact OD2-NZ 3.05Å; D122-K176 PolarHBondContact OD2-NZ 3.04Å; L171-K176 HydrophobicContact CD2-CB 4.28Å; S172-K176 WeakPolarHBondContact O-CB 3.34Å; S172-K176 PolarHBondContact O-N 2.76Å; K176-K178 PolarHBondContact O-N 3.46Å; K176-L179 PolarHBondContact O-N 3.29Å; K176-T180 PolarHBondContact O-N 3.04Å; K176-T180 PolarHBondContact O-OG1 2.93Å
177	E	95.1	Very high	89.7	Confident	94 Å²	94	58.6 Å²	58.6	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-40.3	177.3	-157.1	-161.7	143.5	0	0	112.5	P173 L174 D175 L179 T180 R181	P173-E177 WeakPolarHBondContact O-CB 3.4Å; P173-E177 PolarHBondContact O-N 3.46Å; L174-E177 PolarHBondContact O-N 3.46Å; D175-E177 VanDerWaalsContact C-N 3.32Å; D175-E177 PolarHBondContact O-N 2.87Å; E177-L179 PolarHBondContact O-N 3.4Å; E177-T180 PolarHBondContact O-N 3.05Å; E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 VanDerWaalsContact O-CG 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.18Å; E177-R181 PolarHBondContact O-N 3.2Å; E177-R181 IonicContact OE1-CZ 3.21Å; E177-R181 IonicContact OE1-NE 2.88Å; E177-R181 PolarHBondContact OE1-NE 3.36Å; E177-R181 IonicContact OE1-NH2 2.72Å; E177-R181 PolarHBondContact OE1-NH2 3.14Å; E177-R181 IonicContact OE2-NH2 3.17Å; E177-R181 PolarHBondContact OE2-NH2 3.1Å; E177-R181 VanDerWaalsContact OE2-NH2 3.17Å
178	K	94.9	Very high	90.9	Very high	73 Å²	73	57.1 Å²	57.1	32%	0.317	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-46.8	175.2	-70.6	171.5	-170.3	157.8	0	111.8	Q156 I157 L174 D175 K176 R181 Y182	Q156-K178 PolarHBondContact O-NZ 2.75Å; I157-K178 HydrophobicContact CG2-CB 4.4Å; I157-K178 HydrophobicContact CG2-CD 4.05Å; L174-K178 WeakPolarHBondContact O-CG 3.43Å; L174-K178 PolarHBondContact O-N 3.33Å; L174-K178 VanDerWaalsContact O-N 3.12Å; D175-K178 PolarHBondContact O-N 3.49Å; D175-K178 IonicContact OD1-NZ 2.89Å; D175-K178 PolarHBondContact OD1-NZ 2.78Å; K176-K178 PolarHBondContact O-N 3.46Å; K178-R181 PolarHBondContact O-N 2.8Å; K178-Y182 PolarHBondContact O-N 2.79Å
179	L	95.2	Very high	92.1	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-43.6	178	-73.7	-174.9	0	0	0	112.1	M118 Y155 I157 L171 D175 K176 E177 R181 Y182 F183 Y205 L208	M118-L179 HydrophobicContact CE-CB 3.72Å; M118-L179 HydrophobicContact CE-CD1 4.24Å; M118-L179 HydrophobicContact SD-CB 3.85Å; Y155-L179 HydrophobicContact CD1-CD2 4.22Å; I157-L179 HydrophobicContact CD1-CD1 3.75Å; I157-L179 HydrophobicContact CD1-CD2 3.86Å; I157-L179 HydrophobicContact CD1-CG 3.92Å; L171-L179 HydrophobicContact CD2-CD1 3.76Å; D175-L179 PolarHBondContact O-N 3.38Å; D175-L179 VanDerWaalsContact O-N 3.14Å; K176-L179 PolarHBondContact O-N 3.29Å; E177-L179 PolarHBondContact O-N 3.4Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.87Å; L179-Y182 WeakPolarHBondContact O-CB 3.43Å; L179-Y182 PolarHBondContact O-N 2.87Å; L179-Y182 VanDerWaalsContact O-N 3.11Å; L179-F183 HydrophobicContact CB-CE2 4.35Å; L179-F183 WeakPolarHBondContact O-CD2 3.38Å; L179-F183 PolarHBondContact O-N 2.98Å; L179-Y205 HydrophobicContact CD1-CE1 4.37Å; L179-L208 HydrophobicContact CD2-CD1 3.68Å
180	T	95.9	Very high	93.1	Very high	33 Å²	33	51.8 Å²	51.8	20%	0.202	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-44.6	174.8	-57.7	0	0	0	0	110.9	V114 K176 E177 Y182 F183 N184	V114-T180 HydrophobicContact CG1-CG2 3.86Å; K176-T180 PolarHBondContact O-N 3.04Å; K176-T180 PolarHBondContact O-OG1 2.93Å; E177-T180 PolarHBondContact O-N 3.05Å; T180-Y182 VanDerWaalsContact C-N 3.34Å; T180-Y182 PolarHBondContact O-N 3.13Å; T180-F183 PolarHBondContact O-N 3.42Å; T180-N184 VanDerWaalsContact O-CB 3.3Å; T180-N184 WeakPolarHBondContact O-CB 3.28Å; T180-N184 VanDerWaalsContact O-CG 3.25Å; T180-N184 PolarHBondContact O-N 3.42Å; T180-N184 PolarHBondContact O-ND2 2.88Å
181	R	95.3	Very high	93.7	Very high	133 Å²	133	45.8 Å²	45.8	50%	0.502	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-40.9	175	-73.5	-172.5	-119.4	121	-8.5	112.2	E177 K178 L179 N184 S185	E177-R181 WeakPolarHBondContact O-CB 3.36Å; E177-R181 VanDerWaalsContact O-CG 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.18Å; E177-R181 PolarHBondContact O-N 3.2Å; E177-R181 IonicContact OE1-CZ 3.21Å; E177-R181 IonicContact OE1-NE 2.88Å; E177-R181 PolarHBondContact OE1-NE 3.36Å; E177-R181 IonicContact OE1-NH2 2.72Å; E177-R181 PolarHBondContact OE1-NH2 3.14Å; E177-R181 IonicContact OE2-NH2 3.17Å; E177-R181 PolarHBondContact OE2-NH2 3.1Å; E177-R181 VanDerWaalsContact OE2-NH2 3.17Å; K178-R181 PolarHBondContact O-N 2.8Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.87Å; R181-N184 PolarHBondContact O-N 2.79Å; R181-S185 PolarHBondContact O-N 3.03Å
182	Y	94.4	Very high	94.1	Very high	54 Å²	54	45.6 Å²	45.6	21%	0.212	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-50.2	175.7	177.5	-93	0	0	0	111.6	Y155 K178 L179 T180 N184 S185 Y186 L208	Y155-Y182 HydrophobicContact CE1-CD1 4.28Å; Y155-Y182 AromaticContact CE1-CD2 3.84Å; Y155-Y182 HydrophobicContact CE1-CD2 3.84Å; Y155-Y182 HydrophobicContact CE1-CE1 4.24Å; Y155-Y182 AromaticContact CE1-CE2 3.78Å; Y155-Y182 HydrophobicContact CE1-CE2 3.78Å; Y155-Y182 HydrophobicContact CE1-CG 4.09Å; Y155-Y182 AromaticContact CE1-CZ 3.98Å; Y155-Y182 PolarHBondContact OH-OH 2.9Å; K178-Y182 PolarHBondContact O-N 2.79Å; L179-Y182 WeakPolarHBondContact O-CB 3.43Å; L179-Y182 PolarHBondContact O-N 2.87Å; L179-Y182 VanDerWaalsContact O-N 3.11Å; T180-Y182 VanDerWaalsContact C-N 3.34Å; T180-Y182 PolarHBondContact O-N 3.13Å; Y182-N184 PolarHBondContact O-N 3.43Å; Y182-S185 VanDerWaalsContact O-CB 3.31Å; Y182-S185 WeakPolarHBondContact O-CB 3.42Å; Y182-S185 PolarHBondContact O-N 3.02Å; Y182-S185 VanDerWaalsContact O-N 3.16Å; Y182-S185 PolarHBondContact O-OG 2.81Å; Y182-Y186 HydrophobicContact CD1-CE2 4.14Å; Y182-Y186 AromaticContact CE1-CE2 3.58Å; Y182-Y186 HydrophobicContact CE1-CE2 3.58Å; Y182-Y186 AromaticContact CZ-CE2 3.82Å; Y182-Y186 PolarHBondContact OH-OH 3.36Å; Y182-L208 HydrophobicContact CD1-CD2 3.95Å; Y182-L208 HydrophobicContact CE1-CD2 3.56Å
183	F	95.1	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-35.9	178.5	-68.2	-55.8	0	0	0	112.7	V114 I117 M118 L179 T180 S185 Y186 L191 I194 V204 L208	V114-F183 HydrophobicContact CG1-CB 4.12Å; V114-F183 HydrophobicContact CG2-CB 4.25Å; I117-F183 HydrophobicContact CG2-CD1 4.5Å; I117-F183 HydrophobicContact CG2-CD2 4Å; I117-F183 HydrophobicContact CG2-CE1 4.31Å; I117-F183 HydrophobicContact CG2-CE2 3.77Å; I117-F183 HydrophobicContact CG2-CG 4.37Å; I117-F183 HydrophobicContact CG2-CZ 3.94Å; M118-F183 HydrophobicContact SD-CD2 3.69Å; M118-F183 HydrophobicContact SD-CE2 3.78Å; L179-F183 HydrophobicContact CB-CE2 4.35Å; L179-F183 WeakPolarHBondContact O-CD2 3.38Å; L179-F183 PolarHBondContact O-N 2.98Å; T180-F183 PolarHBondContact O-N 3.42Å; F183-S185 PolarHBondContact O-N 3.11Å; F183-S185 VanDerWaalsContact O-N 3.09Å; F183-Y186 WeakPolarHBondContact O-CB 3.46Å; F183-Y186 PolarHBondContact O-N 2.93Å; F183-L191 HydrophobicContact CB-CD2 4.21Å; F183-L191 WeakPolarHBondContact O-CD2 3.39Å; F183-I194 HydrophobicContact CD1-CD1 4.14Å; F183-I194 HydrophobicContact CD1-CG2 4.08Å; F183-I194 HydrophobicContact CE1-CD1 4.32Å; F183-I194 HydrophobicContact CE1-CG2 3.73Å; F183-V204 HydrophobicContact CE2-CG1 3.83Å; F183-V204 HydrophobicContact CZ-CG1 3.66Å; F183-L208 HydrophobicContact CE1-CD2 3.85Å; F183-L208 HydrophobicContact CZ-CD2 3.62Å; F183-L208 HydrophobicContact CZ-CG 4.26Å
184	N	94.3	Very high	94.7	Very high	60 Å²	60	38.2 Å²	38.2	32%	0.321	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-23.8	175	-82.1	-23.8	0	0	0	113.3	V114 T180 R181 Y182 Y186	V114-N184 WeakPolarHBondContact CG2-OD1 3.47Å; T180-N184 VanDerWaalsContact O-CB 3.3Å; T180-N184 WeakPolarHBondContact O-CB 3.28Å; T180-N184 VanDerWaalsContact O-CG 3.25Å; T180-N184 PolarHBondContact O-N 3.42Å; T180-N184 PolarHBondContact O-ND2 2.88Å; R181-N184 PolarHBondContact O-N 2.79Å; Y182-N184 PolarHBondContact O-N 3.43Å; N184-Y186 PolarHBondContact O-N 2.87Å
185	S	93	Very high	94.8	Very high	46 Å²	46	34 Å²	34	32%	0.322	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-23	174.3	81.4	0	0	0	0	112.7	R181 Y182 F183 R267	R181-S185 PolarHBondContact O-N 3.03Å; Y182-S185 VanDerWaalsContact O-CB 3.31Å; Y182-S185 WeakPolarHBondContact O-CB 3.42Å; Y182-S185 PolarHBondContact O-N 3.02Å; Y182-S185 VanDerWaalsContact O-N 3.16Å; Y182-S185 PolarHBondContact O-OG 2.81Å; F183-S185 PolarHBondContact O-N 3.11Å; F183-S185 VanDerWaalsContact O-N 3.09Å; S185-R267 PolarHBondContact O-NH1 3.17Å; S185-R267 PolarHBondContact O-NH2 2.72Å
186	Y	93.1	Very high	95	Very high	13 Å²	13	34.2 Å²	34.2	5%	0.051	16%	0.163	C	C	.	.	S	Bend	trans	-78.2	150.4	-178.5	-75.1	-100.8	0	0	0	112.2	H110 Y182 F183 N184 I194 H264	H110-Y186 PolarHBondContact NE2-O 3.24Å; Y182-Y186 HydrophobicContact CD1-CE2 4.14Å; Y182-Y186 AromaticContact CE1-CE2 3.58Å; Y182-Y186 HydrophobicContact CE1-CE2 3.58Å; Y182-Y186 AromaticContact CZ-CE2 3.82Å; Y182-Y186 PolarHBondContact OH-OH 3.36Å; F183-Y186 WeakPolarHBondContact O-CB 3.46Å; F183-Y186 PolarHBondContact O-N 2.93Å; N184-Y186 PolarHBondContact O-N 2.87Å; Y186-I194 HydrophobicContact CD1-CD1 3.68Å; Y186-I194 HydrophobicContact CD2-CD1 4Å; Y186-I194 HydrophobicContact CE1-CD1 3.77Å; Y186-I194 HydrophobicContact CE2-CD1 4.09Å; Y186-I194 HydrophobicContact CG-CD1 3.79Å; Y186-H264 HydrophobicContact CD1-CB 4.38Å; Y186-H264 AromaticContact CD1-ND1 3.69Å; Y186-H264 HydrophobicContact CE1-CB 4.04Å; Y186-H264 AromaticContact CE1-CG 3.92Å; Y186-H264 AromaticContact CE1-ND1 3.49Å; Y186-H264 WeakPolarHBondContact CE1-ND1 3.29Å; Y186-H264 AromaticContact CZ-ND1 3.91Å
187	N	91.5	Very high	95.2	Very high	47 Å²	47	31 Å²	31	25%	0.251	15%	0.149	S	C	.	.			trans	-80.9	172.7	171.3	62.4	28.5	0	0	0	111	W189 G190 L191 S263	N187-W189 VanDerWaalsContact C-N 3.27Å; N187-W189 PolarHBondContact O-N 2.89Å; N187-W189 PolarHBondContact OD1-N 3.28Å; N187-G190 WeakPolarHBondContact O-CA 3.35Å; N187-G190 PolarHBondContact O-N 3.44Å; N187-G190 PolarHBondContact OD1-N 3.06Å; N187-L191 PolarHBondContact O-N 3.38Å; N187-S263 PolarHBondContact ND2-O 3.13Å; N187-S263 WeakPolarHBondContact OD1-CB 3.06Å; N187-S263 PolarHBondContact OD1-OG 2.98Å; N187-S263 VanDerWaalsContact OD1-OG 3.13Å
188	I	92.8	Very high	95.3	Very high	32 Å²	32	26.5 Å²	26.5	16%	0.164	13%	0.128	C	C	.	.	H	α-helix	trans	-56.9	-38.3	-177.2	-159.7	77.8	0	0	0	113.3	T105 L113 T192	T105-I188 HydrophobicContact CG2-CD1 3.7Å; T105-I188 HydrophobicContact CG2-CG1 3.99Å; L113-I188 HydrophobicContact CD1-CD1 3.4Å; L113-I188 HydrophobicContact CD1-CG1 4.14Å; I188-T192 WeakPolarHBondContact O-CB 3.49Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 3.36Å
189	W	93.8	Very high	95.4	Very high	6 Å²	6	26 Å²	26	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-45	176.3	-65.4	91.1	0	0	0	111.3	Y44 H67 V68 P69 L73 C99 A102 L103 N187 T192 G193 L259	Y44-W189 PolarHBondContact OH-NE1 2.99Å; H67-W189 WeakPolarHBondContact O-CH2 3.39Å; V68-W189 HydrophobicContact CB-CH2 4.26Å; V68-W189 HydrophobicContact CG1-CH2 3.82Å; V68-W189 HydrophobicContact CG1-CZ3 3.97Å; P69-W189 VanDerWaalsContact CD-CZ2 3.43Å; P69-W189 HydrophobicContact CG-CD2 4.27Å; P69-W189 HydrophobicContact CG-CG 4.47Å; P69-W189 HydrophobicContact CG-CZ2 4.28Å; L73-W189 HydrophobicContact CD2-CE3 4.32Å; L73-W189 HydrophobicContact CD2-CZ3 4.23Å; C99-W189 HydrophobicContact CB-CZ3 3.98Å; A102-W189 HydrophobicContact CB-CD2 3.9Å; A102-W189 HydrophobicContact CB-CE3 3.53Å; A102-W189 HydrophobicContact CB-CG 4.49Å; A102-W189 HydrophobicContact CB-CH2 4.48Å; A102-W189 HydrophobicContact CB-CZ3 3.89Å; L103-W189 HydrophobicContact CD1-CH2 4.35Å; L103-W189 HydrophobicContact CD2-CH2 3.92Å; L103-W189 HydrophobicContact CD2-CZ2 3.8Å; L103-W189 HydrophobicContact CG-CH2 3.75Å; L103-W189 HydrophobicContact CG-CZ2 4.11Å; N187-W189 VanDerWaalsContact C-N 3.27Å; N187-W189 PolarHBondContact O-N 2.89Å; N187-W189 PolarHBondContact OD1-N 3.28Å; W189-T192 PolarHBondContact O-N 3.3Å; W189-G193 PolarHBondContact O-N 3.02Å; W189-G193 VanDerWaalsContact O-N 3.11Å; W189-L259 HydrophobicContact CB-CD1 4.39Å; W189-L259 HydrophobicContact CE3-CD1 3.77Å
190	G	94.6	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-52.3	176.6	0	0	0	0	0	111.6	N187 T192 G193 I194 S263	N187-G190 WeakPolarHBondContact O-CA 3.35Å; N187-G190 PolarHBondContact O-N 3.44Å; N187-G190 PolarHBondContact OD1-N 3.06Å; G190-T192 VanDerWaalsContact C-N 3.31Å; G190-T192 PolarHBondContact O-N 2.9Å; G190-G193 PolarHBondContact O-N 3.47Å; G190-I194 VanDerWaalsContact O-CG1 3.28Å; G190-I194 WeakPolarHBondContact O-CG1 3.31Å; G190-I194 PolarHBondContact O-N 2.98Å; G190-S263 WeakPolarHBondContact CA-OG 3.48Å; G190-S263 PolarHBondContact N-OG 2.85Å
191	L	96.1	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-36.5	178.1	-71.7	175.2	0	0	0	112.9	H110 L113 V114 I117 F183 N187 I194 K195	H110-L191 WeakPolarHBondContact CD2-CD1 3.33Å; H110-L191 VanDerWaalsContact NE2-CD1 3.34Å; H110-L191 WeakPolarHBondContact NE2-CD1 3.4Å; L113-L191 HydrophobicContact CB-CB 4.22Å; L113-L191 HydrophobicContact CB-CD1 4.35Å; L113-L191 HydrophobicContact CD1-CB 3.78Å; L113-L191 HydrophobicContact CD1-CD1 4.47Å; V114-L191 HydrophobicContact CG2-CD1 3.74Å; V114-L191 HydrophobicContact CG2-CD2 3.77Å; V114-L191 HydrophobicContact CG2-CG 4.43Å; I117-L191 HydrophobicContact CD1-CD2 3.9Å; F183-L191 HydrophobicContact CB-CD2 4.21Å; F183-L191 WeakPolarHBondContact O-CD2 3.39Å; N187-L191 PolarHBondContact O-N 3.38Å; L191-I194 PolarHBondContact O-N 3.23Å; L191-K195 WeakPolarHBondContact O-CB 3.38Å; L191-K195 PolarHBondContact O-N 3.38Å
192	T	96.2	Very high	95.7	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-44.1	175.4	-59.8	0	0	0	0	111.1	R101 A102 I188 W189 G190 S196 L259	R101-T192 HydrophobicContact CB-CG2 4.07Å; R101-T192 HydrophobicContact CG-CG2 3.9Å; A102-T192 HydrophobicContact CB-CG2 4.12Å; I188-T192 WeakPolarHBondContact O-CB 3.49Å; I188-T192 PolarHBondContact O-N 2.92Å; I188-T192 PolarHBondContact O-OG1 3.36Å; W189-T192 PolarHBondContact O-N 3.3Å; G190-T192 VanDerWaalsContact C-N 3.31Å; G190-T192 PolarHBondContact O-N 2.9Å; T192-S196 PolarHBondContact O-N 3.34Å; T192-S196 VanDerWaalsContact O-N 3.1Å; T192-L259 HydrophobicContact CG2-CD2 4.45Å
193	G	96.8	Very high	95.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-50.5	173.7	0	0	0	0	0	112.1	W189 G190 K195 S196 C197 A256	W189-G193 PolarHBondContact O-N 3.02Å; W189-G193 VanDerWaalsContact O-N 3.11Å; G190-G193 PolarHBondContact O-N 3.47Å; G193-K195 PolarHBondContact O-N 3.39Å; G193-S196 WeakPolarHBondContact O-CB 3.48Å; G193-S196 PolarHBondContact O-N 2.85Å; G193-S196 VanDerWaalsContact O-N 3.14Å; G193-C197 PolarHBondContact O-N 3Å; G193-A256 WeakPolarHBondContact CA-O 3.33Å; G193-A256 WeakPolarHBondContact O-CB 3.32Å
194	I	97.5	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-47.4	179.2	-66.8	172.9	0	0	0	111.1	I117 F183 Y186 G190 L191 S196 C197 V198 T207 L211 A260	I117-I194 HydrophobicContact CD1-CB 4.21Å; I117-I194 HydrophobicContact CD1-CG2 3.74Å; I117-I194 HydrophobicContact CG1-CG2 4.31Å; I117-I194 HydrophobicContact CG2-CG2 4.39Å; F183-I194 HydrophobicContact CD1-CD1 4.14Å; F183-I194 HydrophobicContact CD1-CG2 4.08Å; F183-I194 HydrophobicContact CE1-CD1 4.32Å; F183-I194 HydrophobicContact CE1-CG2 3.73Å; Y186-I194 HydrophobicContact CD1-CD1 3.68Å; Y186-I194 HydrophobicContact CD2-CD1 4Å; Y186-I194 HydrophobicContact CE1-CD1 3.77Å; Y186-I194 HydrophobicContact CE2-CD1 4.09Å; Y186-I194 HydrophobicContact CG-CD1 3.79Å; G190-I194 VanDerWaalsContact O-CG1 3.28Å; G190-I194 WeakPolarHBondContact O-CG1 3.31Å; G190-I194 PolarHBondContact O-N 2.98Å; L191-I194 PolarHBondContact O-N 3.23Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 3.38Å; I194-C197 WeakPolarHBondContact O-CB 3.2Å; I194-C197 PolarHBondContact O-N 3.22Å; I194-C197 VanDerWaalsContact O-N 3.11Å; I194-V198 HydrophobicContact CG2-CG2 4.3Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.73Å; I194-T207 HydrophobicContact CG2-CG2 4.06Å; I194-L211 HydrophobicContact CD1-CD1 3.83Å; I194-L211 HydrophobicContact CD1-CD2 4.43Å; I194-L211 HydrophobicContact CG1-CD1 3.91Å; I194-L211 HydrophobicContact CG1-CD2 4.14Å; I194-A260 HydrophobicContact CG1-CB 3.95Å
195	K	97.2	Very high	96	Very high	32 Å²	32	19.8 Å²	19.8	14%	0.139	10%	0.101	C	C	.	.	H	α-helix	trans	-55.3	-46.5	176.3	178.1	177	179.9	-70.4	0	110.9	L113 T116 I117 L191 G193 C197 V198 E199	L113-K195 HydrophobicContact CD2-CD 3.54Å; T116-K195 HydrophobicContact CG2-CD 4.37Å; I117-K195 HydrophobicContact CD1-CB 4.19Å; I117-K195 HydrophobicContact CG1-CB 4.01Å; L191-K195 WeakPolarHBondContact O-CB 3.38Å; L191-K195 PolarHBondContact O-N 3.38Å; G193-K195 PolarHBondContact O-N 3.39Å; K195-C197 PolarHBondContact O-N 3.11Å; K195-V198 PolarHBondContact O-N 3.22Å; K195-E199 WeakPolarHBondContact CE-OE1 3.47Å; K195-E199 HydrophobicContact CG-CG 4.32Å; K195-E199 IonicContact NZ-OE1 3.14Å; K195-E199 PolarHBondContact NZ-OE1 3.21Å; K195-E199 IonicContact NZ-OE2 3.32Å; K195-E199 PolarHBondContact NZ-OE2 3.07Å; K195-E199 WeakPolarHBondContact O-CB 3.37Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.47Å; K195-E199 PolarHBondContact O-N 2.91Å
196	S	97.7	Very high	96.2	Very high	18 Å²	18	17.6 Å²	17.6	13%	0.126	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-42.6	176.7	-176.8	0	0	0	0	112.1	T192 G193 I194 E199 N200	T192-S196 PolarHBondContact O-N 3.34Å; T192-S196 VanDerWaalsContact O-N 3.1Å; G193-S196 WeakPolarHBondContact O-CB 3.48Å; G193-S196 PolarHBondContact O-N 2.85Å; G193-S196 VanDerWaalsContact O-N 3.14Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 3.38Å; S196-E199 PolarHBondContact O-N 3.48Å; S196-N200 WeakPolarHBondContact O-CB 3.49Å; S196-N200 PolarHBondContact O-N 3.07Å; S196-N200 PolarHBondContact O-ND2 3.34Å; S196-N200 PolarHBondContact OG-ND2 3.43Å
197	C	98.1	Very high	96.4	Very high	1 Å²	1	17 Å²	17	1%	0.007	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-49.7	174.4	-71.4	0	0	0	0	111.7	G193 I194 K195 E199 N200 L201 T207 M210 A256 L257	G193-C197 PolarHBondContact O-N 3Å; I194-C197 WeakPolarHBondContact O-CB 3.2Å; I194-C197 PolarHBondContact O-N 3.22Å; I194-C197 VanDerWaalsContact O-N 3.11Å; K195-C197 PolarHBondContact O-N 3.11Å; C197-E199 PolarHBondContact O-N 2.97Å; C197-N200 PolarHBondContact O-N 3.34Å; C197-L201 WeakPolarHBondContact O-CB 3.4Å; C197-L201 WeakPolarHBondContact O-CG 3.41Å; C197-L201 PolarHBondContact O-N 2.96Å; C197-T207 HydrophobicContact CB-CG2 3.61Å; C197-M210 HydrophobicContact CB-CE 4.07Å; C197-A256 WeakPolarHBondContact SG-CB 3.44Å; C197-L257 PolarHBondContact SG-N 3.38Å
198	V	98	Very high	96.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-42.1	-179.3	174.7	0	0	0	0	111.4	I117 Y120 I194 K195 N200 K202 V204 T207	I117-V198 HydrophobicContact CG2-CG2 4.24Å; Y120-V198 VanDerWaalsContact CB-CG1 3.49Å; Y120-V198 HydrophobicContact CD1-CG1 4.05Å; Y120-V198 HydrophobicContact CD2-CG1 3.48Å; Y120-V198 VanDerWaalsContact CD2-CG1 3.48Å; Y120-V198 HydrophobicContact CE2-CG1 4.17Å; Y120-V198 HydrophobicContact CG-CG1 3.4Å; I194-V198 HydrophobicContact CG2-CG2 4.3Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.73Å; K195-V198 PolarHBondContact O-N 3.22Å; V198-N200 VanDerWaalsContact C-N 3.34Å; V198-N200 PolarHBondContact O-N 3.39Å; V198-K202 WeakPolarHBondContact O-CA 3.5Å; V198-K202 PolarHBondContact O-N 3.44Å; V198-V204 HydrophobicContact CG1-CG2 3.93Å; V198-V204 HydrophobicContact CG2-CG2 4.29Å; V198-T207 HydrophobicContact CG2-CG2 3.98Å; V198-T207 WeakPolarHBondContact CG2-OG1 3.41Å
199	E	97.2	Very high	96.9	Very high	63 Å²	63	13.2 Å²	13.2	29%	0.294	6%	0.063	S	C	.	.	H	α-helix	trans	-67.1	-33.4	178.7	-75.3	-179.7	144	0	0	113.1	Y120 K195 S196 C197 K202	Y120-E199 HydrophobicContact CE2-CG 4.19Å; K195-E199 WeakPolarHBondContact CE-OE1 3.47Å; K195-E199 HydrophobicContact CG-CG 4.32Å; K195-E199 IonicContact NZ-OE1 3.14Å; K195-E199 PolarHBondContact NZ-OE1 3.21Å; K195-E199 IonicContact NZ-OE2 3.32Å; K195-E199 PolarHBondContact NZ-OE2 3.07Å; K195-E199 WeakPolarHBondContact O-CB 3.37Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.47Å; K195-E199 PolarHBondContact O-N 2.91Å; S196-E199 PolarHBondContact O-N 3.48Å; C197-E199 PolarHBondContact O-N 2.97Å; E199-K202 WeakPolarHBondContact O-CD 3.4Å; E199-K202 WeakPolarHBondContact O-CE 3.42Å; E199-K202 PolarHBondContact O-NZ 3.2Å
200	N	97.4	Very high	97	Very high	40 Å²	40	13.2 Å²	13.2	21%	0.214	6%	0.063	C	C	.	.	H	α-helix	trans	-80.1	-43	178.5	-80.6	-72.5	0	0	0	111.9	S196 C197 V198 L249 V253	S196-N200 WeakPolarHBondContact O-CB 3.49Å; S196-N200 PolarHBondContact O-N 3.07Å; S196-N200 PolarHBondContact O-ND2 3.34Å; S196-N200 PolarHBondContact OG-ND2 3.43Å; C197-N200 PolarHBondContact O-N 3.34Å; V198-N200 VanDerWaalsContact C-N 3.34Å; V198-N200 PolarHBondContact O-N 3.39Å; N200-L249 HydrophobicContact CB-CD1 3.65Å; N200-V253 HydrophobicContact CB-CG2 3.75Å
201	L	97.8	Very high	97.1	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.067	C	C	.	.	H	α-helix	trans	-84.9	-15.8	-178.8	-65.1	176.4	0	0	0	113.9	C197 S203 L206 M210 A220 V221 S224 V253	C197-L201 WeakPolarHBondContact O-CB 3.4Å; C197-L201 WeakPolarHBondContact O-CG 3.41Å; C197-L201 PolarHBondContact O-N 2.96Å; L201-S203 PolarHBondContact O-N 3.23Å; L201-L206 HydrophobicContact CD1-CB 4.13Å; L201-M210 HydrophobicContact CD1-CE 3.24Å; L201-M210 HydrophobicContact CD1-SD 4.13Å; L201-A220 HydrophobicContact CD1-CB 4.01Å; L201-A220 HydrophobicContact CD2-CB 4.47Å; L201-V221 HydrophobicContact CD2-CB 4.42Å; L201-V221 HydrophobicContact CD2-CG2 3.84Å; L201-S224 WeakPolarHBondContact CD2-OG 3.47Å; L201-S224 WeakPolarHBondContact O-CB 3.4Å; L201-V253 HydrophobicContact CD1-CG1 4.21Å; L201-V253 HydrophobicContact CD2-CG1 4.44Å; L201-V253 HydrophobicContact CD2-CG2 3.99Å; L201-V253 HydrophobicContact CG-CG1 4.4Å; L201-V253 HydrophobicContact CG-CG2 4.05Å
202	K	96.6	Very high	97	Very high	104 Å²	104	16.9 Å²	16.9	45%	0.452	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	29.4	-170.1	-50	-59.8	-179.3	-166.9	0	112.9	Y120 T125 V198 E199	Y120-K202 HydrophobicContact CE1-CD 3.8Å; T125-K202 HydrophobicContact CG2-CB 4.46Å; T125-K202 PolarHBondContact N-O 3.13Å; V198-K202 WeakPolarHBondContact O-CA 3.5Å; V198-K202 PolarHBondContact O-N 3.44Å; E199-K202 WeakPolarHBondContact O-CD 3.4Å; E199-K202 WeakPolarHBondContact O-CE 3.42Å; E199-K202 PolarHBondContact O-NZ 3.2Å
203	S	97	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.			trans	-147.1	123.7	-176.1	-174.2	0	0	0	0	112.2	D124 L201 Y205 L206 T207	D124-S203 VanDerWaalsContact CG-OG 3.23Å; D124-S203 WeakPolarHBondContact OD1-CA 3.38Å; D124-S203 WeakPolarHBondContact OD1-CB 3.28Å; D124-S203 PolarHBondContact OD1-OG 2.76Å; D124-S203 VanDerWaalsContact OD2-CA 3.28Å; D124-S203 WeakPolarHBondContact OD2-CA 3.2Å; D124-S203 PolarHBondContact OD2-OG 3.34Å; L201-S203 PolarHBondContact O-N 3.23Å; S203-Y205 PolarHBondContact OG-N 3.03Å; S203-L206 WeakPolarHBondContact OG-CG 3.34Å; S203-L206 PolarHBondContact OG-N 2.99Å; S203-T207 PolarHBondContact O-OG1 3.16Å
204	V	96.7	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.9	-40.4	168	-178.5	0	0	0	0	109.6	I117 A121 D124 F183 V198 T207 L208	I117-V204 HydrophobicContact CG2-CG2 4.47Å; A121-V204 HydrophobicContact CB-CG2 4.32Å; D124-V204 PolarHBondContact OD2-N 2.71Å; F183-V204 HydrophobicContact CE2-CG1 3.83Å; F183-V204 HydrophobicContact CZ-CG1 3.66Å; V198-V204 HydrophobicContact CG1-CG2 3.93Å; V198-V204 HydrophobicContact CG2-CG2 4.29Å; V204-T207 CarbonylContact O-C 3.59Å; V204-T207 WeakPolarHBondContact O-CA 3.44Å; V204-T207 WeakPolarHBondContact O-CB 3.41Å; V204-T207 PolarHBondContact O-N 3.44Å; V204-T207 VanDerWaalsContact O-N 3.16Å; V204-L208 HydrophobicContact CG1-CD1 4.32Å; V204-L208 HydrophobicContact CG1-CG 4.39Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.07Å
205	Y	96.5	Very high	96.7	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-41.5	-175	-59.4	-47.6	0	0	0	113.5	D124 I126 C127 V151 I157 P159 L179 S203 T207 L208 A209	D124-Y205 HydrophobicContact CB-CD2 3.89Å; D124-Y205 HydrophobicContact CB-CE2 3.8Å; D124-Y205 WeakPolarHBondContact OD2-CD2 3.33Å; D124-Y205 PolarHBondContact OD2-N 3.34Å; I126-Y205 HydrophobicContact CD1-CD2 3.93Å; I126-Y205 HydrophobicContact CD1-CG 4.2Å; I126-Y205 HydrophobicContact CG1-CD2 3.99Å; C127-Y205 VanDerWaalsContact SG-CE2 3.59Å; V151-Y205 HydrophobicContact CG1-CD1 3.75Å; V151-Y205 HydrophobicContact CG1-CE1 4.11Å; V151-Y205 HydrophobicContact CG2-CD1 4.22Å; V151-Y205 HydrophobicContact CG2-CG 4.48Å; I157-Y205 HydrophobicContact CD1-CE1 3.82Å; P159-Y205 HydrophobicContact CB-CE1 4.45Å; P159-Y205 HydrophobicContact CB-CE2 3.82Å; P159-Y205 HydrophobicContact CG-CD1 4.46Å; P159-Y205 HydrophobicContact CG-CE1 3.93Å; P159-Y205 HydrophobicContact CG-CE2 4.13Å; L179-Y205 HydrophobicContact CD1-CE1 4.37Å; S203-Y205 PolarHBondContact OG-N 3.03Å; Y205-T207 PolarHBondContact O-N 2.84Å; Y205-L208 HydrophobicContact CD1-CD1 4.44Å; Y205-L208 PolarHBondContact O-N 2.91Å; Y205-A209 WeakPolarHBondContact O-CB 3.42Å; Y205-A209 PolarHBondContact O-N 3.09Å
206	L	97.9	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-36.4	171.1	-66.6	174	0	0	0	111	I126 I147 L201 S203 A209 M210 A220 L223	I126-L206 HydrophobicContact CG2-CD1 3.91Å; I126-L206 HydrophobicContact CG2-CD2 4.47Å; I126-L206 HydrophobicContact CG2-CG 4.02Å; I147-L206 HydrophobicContact CD1-CD2 4.3Å; I147-L206 HydrophobicContact CG1-CD2 4.12Å; I147-L206 HydrophobicContact CG2-CD2 4.16Å; L201-L206 HydrophobicContact CD1-CB 4.13Å; S203-L206 WeakPolarHBondContact OG-CG 3.34Å; S203-L206 PolarHBondContact OG-N 2.99Å; L206-A209 PolarHBondContact O-N 3.38Å; L206-M210 WeakPolarHBondContact O-CG 3.47Å; L206-M210 PolarHBondContact O-N 2.88Å; L206-A220 HydrophobicContact CB-CB 4.43Å; L206-L223 HydrophobicContact CD1-CB 4.14Å; L206-L223 HydrophobicContact CD2-CB 3.8Å; L206-L223 HydrophobicContact CD2-CD1 3.69Å; L206-L223 HydrophobicContact CD2-CG 4.41Å
207	T	97.8	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-45.1	175.7	-58.5	0	0	0	0	111.9	I194 C197 V198 S203 V204 Y205 A209 M210 L211	I194-T207 HydrophobicContact CG2-CG2 4.06Å; C197-T207 HydrophobicContact CB-CG2 3.61Å; V198-T207 HydrophobicContact CG2-CG2 3.98Å; V198-T207 WeakPolarHBondContact CG2-OG1 3.41Å; S203-T207 PolarHBondContact O-OG1 3.16Å; V204-T207 CarbonylContact O-C 3.59Å; V204-T207 WeakPolarHBondContact O-CA 3.44Å; V204-T207 WeakPolarHBondContact O-CB 3.41Å; V204-T207 PolarHBondContact O-N 3.44Å; V204-T207 VanDerWaalsContact O-N 3.16Å; Y205-T207 PolarHBondContact O-N 2.84Å; T207-A209 VanDerWaalsContact C-N 3.34Å; T207-A209 PolarHBondContact O-N 3.16Å; T207-M210 HydrophobicContact CG2-CE 4.47Å; T207-M210 PolarHBondContact O-N 3.33Å; T207-L211 HydrophobicContact CG2-CD1 4.13Å; T207-L211 HydrophobicContact CG2-CG 4.45Å; T207-L211 VanDerWaalsContact O-CG 3.31Å; T207-L211 WeakPolarHBondContact O-CG 3.49Å; T207-L211 PolarHBondContact O-N 3.43Å
208	L	96.6	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-43	174.1	-67.6	175.8	0	0	0	111.9	W150 Y155 L179 Y182 F183 V204 Y205 M210 L211 D212	W150-L208 HydrophobicContact CZ3-CB 4.46Å; Y155-L208 HydrophobicContact CD2-CD1 4.33Å; Y155-L208 HydrophobicContact CE1-CD1 4.32Å; Y155-L208 HydrophobicContact CE1-CD2 4.07Å; Y155-L208 HydrophobicContact CE2-CB 3.94Å; Y155-L208 HydrophobicContact CE2-CD1 4.13Å; Y155-L208 HydrophobicContact CE2-CG 4.42Å; L179-L208 HydrophobicContact CD2-CD1 3.68Å; Y182-L208 HydrophobicContact CD1-CD2 3.95Å; Y182-L208 HydrophobicContact CE1-CD2 3.56Å; F183-L208 HydrophobicContact CE1-CD2 3.85Å; F183-L208 HydrophobicContact CZ-CD2 3.62Å; F183-L208 HydrophobicContact CZ-CG 4.26Å; V204-L208 HydrophobicContact CG1-CD1 4.32Å; V204-L208 HydrophobicContact CG1-CG 4.39Å; V204-L208 WeakPolarHBondContact O-CG 3.45Å; V204-L208 PolarHBondContact O-N 3.07Å; Y205-L208 HydrophobicContact CD1-CD1 4.44Å; Y205-L208 PolarHBondContact O-N 2.91Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 2.87Å; L208-L211 HydrophobicContact CD2-CD1 4.45Å; L208-L211 PolarHBondContact O-N 2.66Å; L208-D212 PolarHBondContact O-N 3.16Å; L208-D212 VanDerWaalsContact O-N 3.11Å
209	A	96.9	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-35.4	176.8	0	0	0	0	0	112.8	I147 W150 Y205 L206 T207 G213 Y214 C215	I147-A209 HydrophobicContact CD1-CB 4.12Å; I147-A209 HydrophobicContact CG2-CB 4.37Å; W150-A209 HydrophobicContact CE3-CB 4.15Å; W150-A209 HydrophobicContact CH2-CB 4.5Å; W150-A209 VanDerWaalsContact CZ3-CA 3.42Å; W150-A209 HydrophobicContact CZ3-CB 3.85Å; Y205-A209 WeakPolarHBondContact O-CB 3.42Å; Y205-A209 PolarHBondContact O-N 3.09Å; L206-A209 PolarHBondContact O-N 3.38Å; T207-A209 VanDerWaalsContact C-N 3.34Å; T207-A209 PolarHBondContact O-N 3.16Å; A209-G213 PolarHBondContact O-N 2.97Å; A209-Y214 HydrophobicContact CB-CD1 4.16Å; A209-Y214 WeakPolarHBondContact O-CA 3.48Å; A209-Y214 WeakPolarHBondContact O-CB 3.49Å; A209-Y214 PolarHBondContact O-N 3.34Å; A209-C215 HydrophobicContact CB-CB 3.87Å; A209-C215 PolarHBondContact O-N 3.36Å
210	M	97.3	Very high	96.7	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-71.9	-43	173.3	-69.7	-173.2	-62.4	0	0	113.2	C197 L201 L206 T207 L208 D212 G213 C215 A217 A220 V253 L257	C197-M210 HydrophobicContact CB-CE 4.07Å; L201-M210 HydrophobicContact CD1-CE 3.24Å; L201-M210 HydrophobicContact CD1-SD 4.13Å; L206-M210 WeakPolarHBondContact O-CG 3.47Å; L206-M210 PolarHBondContact O-N 2.88Å; T207-M210 HydrophobicContact CG2-CE 4.47Å; T207-M210 PolarHBondContact O-N 3.33Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 2.87Å; M210-D212 VanDerWaalsContact C-N 3.29Å; M210-D212 PolarHBondContact O-N 3.36Å; M210-G213 PolarHBondContact O-N 2.92Å; M210-C215 WeakPolarHBondContact CA-O 3.31Å; M210-A217 HydrophobicContact SD-CB 4.2Å; M210-A220 HydrophobicContact CE-CB 4.26Å; M210-A220 HydrophobicContact CG-CB 3.57Å; M210-A220 HydrophobicContact SD-CB 3.39Å; M210-A220 WeakPolarHBondContact SD-CB 3.25Å; M210-V253 HydrophobicContact CE-CG1 3.84Å; M210-V253 HydrophobicContact SD-CG1 3.69Å; M210-L257 HydrophobicContact CB-CD1 3.91Å; M210-L257 HydrophobicContact CB-CD2 4.02Å; M210-L257 HydrophobicContact SD-CD2 4.28Å
211	L	95.4	Very high	96.7	Very high	15 Å²	15	29 Å²	29	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-39.8	-177.9	-72.3	168	0	0	0	111.9	I194 T207 L208 G213 L257 A260 L261	I194-L211 HydrophobicContact CD1-CD1 3.83Å; I194-L211 HydrophobicContact CD1-CD2 4.43Å; I194-L211 HydrophobicContact CG1-CD1 3.91Å; I194-L211 HydrophobicContact CG1-CD2 4.14Å; T207-L211 HydrophobicContact CG2-CD1 4.13Å; T207-L211 HydrophobicContact CG2-CG 4.45Å; T207-L211 VanDerWaalsContact O-CG 3.31Å; T207-L211 WeakPolarHBondContact O-CG 3.49Å; T207-L211 PolarHBondContact O-N 3.43Å; L208-L211 HydrophobicContact CD2-CD1 4.45Å; L208-L211 PolarHBondContact O-N 2.66Å; L211-G213 VanDerWaalsContact C-N 3.3Å; L211-L257 HydrophobicContact CD2-CD1 4Å; L211-L257 HydrophobicContact CG-CD1 4.49Å; L211-A260 HydrophobicContact CD2-CB 3.82Å; L211-L261 HydrophobicContact CD2-CD2 4.38Å
212	D	94	Very high	96.6	Very high	62 Å²	62	32.9 Å²	32.9	33%	0.332	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.4	177.5	-65.5	-27.3	0	0	0	113.3	W150 H154 Y155 L208 M210 Y214	W150-D212 HydrophobicContact CH2-CB 3.7Å; W150-D212 VanDerWaalsContact CH2-OD2 3.22Å; W150-D212 WeakPolarHBondContact CH2-OD2 3.37Å; W150-D212 HydrophobicContact CZ2-CB 3.65Å; H154-D212 IonicContact CE1-OD2 3.67Å; H154-D212 PolarHBondContact CE1-OD2 3.08Å; H154-D212 IonicContact ND1-OD2 3.03Å; H154-D212 PolarHBondContact ND1-OD2 2.67Å; H154-D212 VanDerWaalsContact ND1-OD2 3.14Å; Y155-D212 WeakPolarHBondContact CE2-OD2 3.4Å; Y155-D212 VanDerWaalsContact OH-CG 3.29Å; Y155-D212 PolarHBondContact OH-OD1 2.8Å; Y155-D212 PolarHBondContact OH-OD2 2.78Å; L208-D212 PolarHBondContact O-N 3.16Å; L208-D212 VanDerWaalsContact O-N 3.11Å; M210-D212 VanDerWaalsContact C-N 3.29Å; M210-D212 PolarHBondContact O-N 3.36Å; D212-Y214 VanDerWaalsContact C-N 3.31Å; D212-Y214 PolarHBondContact O-N 3.05Å
213	G	94.9	Very high	96.7	Very high	61 Å²	61	28.1 Å²	28.1	63%	0.629	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	15.8	177.7	0	0	0	0	0	115.4	A209 M210 L211 C215	A209-G213 PolarHBondContact O-N 2.97Å; M210-G213 PolarHBondContact O-N 2.92Å; L211-G213 VanDerWaalsContact C-N 3.3Å; G213-C215 VanDerWaalsContact C-N 3.32Å
214	Y	96.2	Very high	96.6	Very high	111 Å²	111	29.3 Å²	29.3	44%	0.435	17%	0.171	S	C	.	.	S	Bend	trans	-69.3	-32.6	171.2	-176.6	-106.9	0	0	0	112	I147 W150 A209 D212	I147-Y214 HydrophobicContact CD1-CD1 3.88Å; I147-Y214 HydrophobicContact CD1-CE1 3.76Å; W150-Y214 HydrophobicContact CB-CD1 4.15Å; W150-Y214 HydrophobicContact CB-CD2 4.48Å; W150-Y214 HydrophobicContact CB-CE1 3.77Å; W150-Y214 HydrophobicContact CB-CE2 4.13Å; W150-Y214 HydrophobicContact CB-CG 4.49Å; W150-Y214 AromaticContact CD1-CD2 3.26Å; W150-Y214 AromaticContact CD1-CE2 3.43Å; W150-Y214 VanDerWaalsContact CD1-CE2 3.43Å; W150-Y214 AromaticContact CD1-CG 3.67Å; W150-Y214 AromaticContact CD1-CZ 3.98Å; W150-Y214 AromaticContact CD2-CD1 3.85Å; W150-Y214 HydrophobicContact CD2-CD1 3.85Å; W150-Y214 HydrophobicContact CD2-CD2 4.12Å; W150-Y214 HydrophobicContact CD2-CE1 4.38Å; W150-Y214 AromaticContact CD2-CG 3.7Å; W150-Y214 HydrophobicContact CD2-CG 3.7Å; W150-Y214 AromaticContact CE2-CD2 3.99Å; W150-Y214 AromaticContact CE2-CG 3.71Å; W150-Y214 HydrophobicContact CE3-CD1 4.21Å; W150-Y214 HydrophobicContact CE3-CG 4.36Å; W150-Y214 AromaticContact CG-CD1 3.79Å; W150-Y214 HydrophobicContact CG-CD1 3.79Å; W150-Y214 AromaticContact CG-CD2 3.72Å; W150-Y214 HydrophobicContact CG-CD2 3.72Å; W150-Y214 AromaticContact CG-CE1 3.87Å; W150-Y214 HydrophobicContact CG-CE1 3.87Å; W150-Y214 AromaticContact CG-CE2 3.8Å; W150-Y214 HydrophobicContact CG-CE2 3.8Å; W150-Y214 AromaticContact CG-CG 3.71Å; W150-Y214 HydrophobicContact CG-CG 3.71Å; W150-Y214 AromaticContact CG-CZ 3.88Å; W150-Y214 HydrophobicContact CZ2-CG 4.39Å; W150-Y214 AromaticContact NE1-CD2 3.42Å; W150-Y214 AromaticContact NE1-CG 3.66Å; A209-Y214 HydrophobicContact CB-CD1 4.16Å; A209-Y214 WeakPolarHBondContact O-CA 3.48Å; A209-Y214 WeakPolarHBondContact O-CB 3.49Å; A209-Y214 PolarHBondContact O-N 3.34Å; D212-Y214 VanDerWaalsContact C-N 3.31Å; D212-Y214 PolarHBondContact O-N 3.05Å
215	C	94	Very high	96.6	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.081	18%	0.176	C	C	.	.	S	Bend	trans	-129.7	139.7	-178.1	-170.2	0	0	0	0	110.4	I147 A209 M210 G213 R219 A220	I147-C215 HydrophobicContact CD1-CB 4.42Å; A209-C215 HydrophobicContact CB-CB 3.87Å; A209-C215 PolarHBondContact O-N 3.36Å; M210-C215 WeakPolarHBondContact CA-O 3.31Å; G213-C215 VanDerWaalsContact C-N 3.32Å; C215-R219 VanDerWaalsContact SG-CB 3.56Å; C215-R219 WeakPolarHBondContact SG-CG 3.2Å; C215-A220 PolarHBondContact SG-N 3.33Å; C215-A220 VanDerWaalsContact SG-N 3.38Å
216	S	97.1	Very high	96.5	Very high	71 Å²	71	30.7 Å²	30.7	50%	0.497	18%	0.178	S	C	.	.			trans	-76.3	159.9	171.4	70.1	0	0	0	0	110.9	A218 R219 A220	S216-A218 VanDerWaalsContact C-N 3.3Å; S216-A218 PolarHBondContact O-N 3.33Å; S216-R219 PolarHBondContact O-N 3.16Å; S216-R219 WeakPolarHBondContact OG-CB 3.3Å; S216-R219 PolarHBondContact OG-N 3.07Å; S216-R219 VanDerWaalsContact OG-N 3.15Å; S216-A220 WeakPolarHBondContact O-CB 3.37Å; S216-A220 PolarHBondContact O-N 2.96Å
217	A	97.4	Very high	96.3	Very high	12 Å²	12	35 Å²	35	10%	0.099	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-45	174.4	0	0	0	0	0	112.2	M210 R219 A220 V221 V253 S254 L257	M210-A217 HydrophobicContact SD-CB 4.2Å; A217-R219 PolarHBondContact O-N 3.43Å; A217-A220 PolarHBondContact O-N 2.84Å; A217-V221 VanDerWaalsContact O-CG2 3.27Å; A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 2.52Å; A217-V253 HydrophobicContact CB-CG1 4.25Å; A217-S254 WeakPolarHBondContact CB-OG 3.5Å; A217-L257 HydrophobicContact CB-CD2 4.15Å
218	A	97	Very high	96	Very high	56 Å²	56	37 Å²	37	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-42.9	177.8	0	0	0	0	0	112.6	S216 V221 E222 N250	S216-A218 VanDerWaalsContact C-N 3.3Å; S216-A218 PolarHBondContact O-N 3.33Å; A218-V221 PolarHBondContact O-N 3.14Å; A218-E222 PolarHBondContact O-N 3.33Å; A218-N250 WeakPolarHBondContact CA-OD1 3.25Å
219	R	97.6	Very high	95.8	Very high	94 Å²	94	40.2 Å²	40.2	36%	0.355	23%	0.225	S	C	.	.	H	α-helix	trans	-68.6	-38.3	177.6	-179.3	59.2	178.8	173.3	4.4	111.6	C215 S216 A217 V221 E222 L223	C215-R219 VanDerWaalsContact SG-CB 3.56Å; C215-R219 WeakPolarHBondContact SG-CG 3.2Å; S216-R219 PolarHBondContact O-N 3.16Å; S216-R219 WeakPolarHBondContact OG-CB 3.3Å; S216-R219 PolarHBondContact OG-N 3.07Å; S216-R219 VanDerWaalsContact OG-N 3.15Å; A217-R219 PolarHBondContact O-N 3.43Å; R219-V221 VanDerWaalsContact C-N 3.33Å; R219-V221 PolarHBondContact O-N 3.03Å; R219-E222 WeakPolarHBondContact CD-OE2 3.47Å; R219-E222 IonicContact CZ-OE2 3.99Å; R219-E222 IonicContact NE-OE2 2.62Å; R219-E222 IonicContact NH1-OE1 2.78Å; R219-E222 PolarHBondContact NH1-OE1 3.43Å; R219-E222 IonicContact NH1-OE2 2.89Å; R219-E222 PolarHBondContact NH1-OE2 3.09Å; R219-E222 PolarHBondContact O-N 3.5Å; R219-L223 HydrophobicContact CG-CD1 4.09Å; R219-L223 HydrophobicContact CG-CG 4.33Å; R219-L223 WeakPolarHBondContact O-CB 3.22Å; R219-L223 WeakPolarHBondContact O-CG 3.32Å; R219-L223 PolarHBondContact O-N 3.16Å
220	A	98.2	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.5	0	0	0	0	0	111.8	L201 L206 M210 C215 S216 A217 L223 S224	L201-A220 HydrophobicContact CD1-CB 4.01Å; L201-A220 HydrophobicContact CD2-CB 4.47Å; L206-A220 HydrophobicContact CB-CB 4.43Å; M210-A220 HydrophobicContact CE-CB 4.26Å; M210-A220 HydrophobicContact CG-CB 3.57Å; M210-A220 HydrophobicContact SD-CB 3.39Å; M210-A220 WeakPolarHBondContact SD-CB 3.25Å; C215-A220 PolarHBondContact SG-N 3.33Å; C215-A220 VanDerWaalsContact SG-N 3.38Å; S216-A220 WeakPolarHBondContact O-CB 3.37Å; S216-A220 PolarHBondContact O-N 2.96Å; A217-A220 PolarHBondContact O-N 2.84Å; A220-L223 PolarHBondContact O-N 3.43Å; A220-S224 PolarHBondContact O-N 3.25Å; A220-S224 PolarHBondContact O-OG 3.14Å
221	V	97.8	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-40	175.9	170.6	0	0	0	0	111.9	L201 A217 A218 R219 S224 Q225 L249 V253	L201-V221 HydrophobicContact CD2-CB 4.42Å; L201-V221 HydrophobicContact CD2-CG2 3.84Å; A217-V221 VanDerWaalsContact O-CG2 3.27Å; A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 2.52Å; A218-V221 PolarHBondContact O-N 3.14Å; R219-V221 VanDerWaalsContact C-N 3.33Å; R219-V221 PolarHBondContact O-N 3.03Å; V221-S224 PolarHBondContact O-OG 3.23Å; V221-Q225 WeakPolarHBondContact O-CG 3.28Å; V221-Q225 PolarHBondContact O-N 3.5Å; V221-Q225 PolarHBondContact O-NE2 3.35Å; V221-L249 HydrophobicContact CG1-CB 4.39Å; V221-L249 HydrophobicContact CG1-CD2 3.82Å; V221-L249 HydrophobicContact CG1-CG 3.89Å; V221-L249 HydrophobicContact CG2-CG 4.29Å; V221-V253 HydrophobicContact CG2-CB 3.83Å; V221-V253 HydrophobicContact CG2-CG1 4.02Å; V221-V253 HydrophobicContact CG2-CG2 3.82Å
222	E	96.3	Very high	95	Very high	85 Å²	85	46.7 Å²	46.7	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-46.5	172.5	-171.4	-165.8	165.8	0	0	111.1	A218 R219 S224 Q225 I226 L229	A218-E222 PolarHBondContact O-N 3.33Å; R219-E222 WeakPolarHBondContact CD-OE2 3.47Å; R219-E222 IonicContact CZ-OE2 3.99Å; R219-E222 IonicContact NE-OE2 2.62Å; R219-E222 IonicContact NH1-OE1 2.78Å; R219-E222 PolarHBondContact NH1-OE1 3.43Å; R219-E222 IonicContact NH1-OE2 2.89Å; R219-E222 PolarHBondContact NH1-OE2 3.09Å; R219-E222 PolarHBondContact O-N 3.5Å; E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 2.99Å; E222-Q225 CarbonylContact O-C 3.57Å; E222-Q225 PolarHBondContact O-N 3.4Å; E222-I226 PolarHBondContact O-N 3.41Å; E222-L229 HydrophobicContact CG-CD1 3.77Å
223	L	97.6	Very high	94.7	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-33.3	179.6	-72.2	174.7	0	0	0	112.9	W144 I147 L206 R219 A220 Q225 I226	W144-L223 PolarHBondContact NE1-O 3.12Å; I147-L223 HydrophobicContact CD1-CD1 3.92Å; I147-L223 HydrophobicContact CG1-CD1 3.92Å; L206-L223 HydrophobicContact CD1-CB 4.14Å; L206-L223 HydrophobicContact CD2-CB 3.8Å; L206-L223 HydrophobicContact CD2-CD1 3.69Å; L206-L223 HydrophobicContact CD2-CG 4.41Å; R219-L223 HydrophobicContact CG-CD1 4.09Å; R219-L223 HydrophobicContact CG-CG 4.33Å; R219-L223 WeakPolarHBondContact O-CB 3.22Å; R219-L223 WeakPolarHBondContact O-CG 3.32Å; R219-L223 PolarHBondContact O-N 3.16Å; A220-L223 PolarHBondContact O-N 3.43Å; L223-Q225 PolarHBondContact O-N 2.9Å; L223-I226 HydrophobicContact CD2-CD1 3.99Å; L223-I226 WeakPolarHBondContact O-CG1 3.43Å
224	S	96.8	Very high	94.4	Very high	24 Å²	24	56.3 Å²	56.3	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-74.3	-14.8	175.7	63.5	0	0	0	0	113.2	L201 A220 V221 E222	L201-S224 WeakPolarHBondContact CD2-OG 3.47Å; L201-S224 WeakPolarHBondContact O-CB 3.4Å; A220-S224 PolarHBondContact O-N 3.25Å; A220-S224 PolarHBondContact O-OG 3.14Å; V221-S224 PolarHBondContact O-OG 3.23Å; E222-S224 VanDerWaalsContact C-N 3.31Å; E222-S224 PolarHBondContact O-N 2.99Å
225	Q	94.8	Very high	93.9	Very high	21 Å²	21	60 Å²	60	10%	0.098	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	12.8	-174.5	-70	176	89.6	0	0	113.2	V221 E222 L223 E227 M228 L229 N246 L249	V221-Q225 WeakPolarHBondContact O-CG 3.28Å; V221-Q225 PolarHBondContact O-N 3.5Å; V221-Q225 PolarHBondContact O-NE2 3.35Å; E222-Q225 CarbonylContact O-C 3.57Å; E222-Q225 PolarHBondContact O-N 3.4Å; L223-Q225 PolarHBondContact O-N 2.9Å; Q225-E227 PolarHBondContact O-N 2.88Å; Q225-E227 VanDerWaalsContact O-N 3.13Å; Q225-M228 HydrophobicContact CB-CE 4Å; Q225-M228 HydrophobicContact CG-CE 4.18Å; Q225-M228 PolarHBondContact O-N 3.22Å; Q225-L229 HydrophobicContact CB-CD1 4.43Å; Q225-L229 HydrophobicContact CB-CG 4.32Å; Q225-L229 WeakPolarHBondContact O-CG 3.39Å; Q225-L229 PolarHBondContact O-N 3.04Å; Q225-N246 PolarHBondContact NE2-OD1 2.89Å; Q225-L249 HydrophobicContact CG-CD2 4.27Å
226	I	94.9	Very high	93.3	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.062	31%	0.31	C	S	.	.	H	α-helix	trans	-49.9	-44.5	-175.9	-72.3	-177.8	0	0	0	112.5	L136 V139 Q140 W144 E222 L223 L229 F230	L136-I226 HydrophobicContact CD1-CG2 4.15Å; V139-I226 HydrophobicContact CG1-CG2 3.69Å; Q140-I226 HydrophobicContact CG-CG2 4.16Å; W144-I226 HydrophobicContact CZ2-CB 4.17Å; W144-I226 HydrophobicContact CZ2-CD1 4.28Å; W144-I226 VanDerWaalsContact NE1-CD1 3.32Å; E222-I226 PolarHBondContact O-N 3.41Å; L223-I226 HydrophobicContact CD2-CD1 3.99Å; L223-I226 WeakPolarHBondContact O-CG1 3.43Å; I226-L229 PolarHBondContact O-N 2.64Å; I226-F230 WeakPolarHBondContact O-CB 3.31Å; I226-F230 PolarHBondContact O-N 3.35Å
227	E	93.1	Very high	92.5	Very high	91 Å²	91	62.1 Å²	62.1	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-53.7	179.2	-173.5	174.4	172	0	0	110.5	L136 Q225 L229 F230 Q231	L136-E227 HydrophobicContact CD2-CG 4.25Å; Q225-E227 PolarHBondContact O-N 2.88Å; Q225-E227 VanDerWaalsContact O-N 3.13Å; E227-L229 VanDerWaalsContact C-N 3.3Å; E227-L229 PolarHBondContact O-N 2.92Å; E227-F230 WeakPolarHBondContact O-CA 3.46Å; E227-F230 VanDerWaalsContact O-CB 3.32Å; E227-F230 WeakPolarHBondContact O-CB 3.32Å; E227-F230 PolarHBondContact O-N 3.05Å; E227-Q231 VanDerWaalsContact O-CG 3.28Å; E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.34Å
228	M	92.4	Very high	91.6	Very high	40 Å²	40	65.3 Å²	65.3	20%	0.197	33%	0.326	C	S	.	.	H	α-helix	trans	-54.1	-45.7	176.4	-178.4	-82	-74.8	0	0	112	Q225 F230 Q231 V232	Q225-M228 HydrophobicContact CB-CE 4Å; Q225-M228 HydrophobicContact CG-CE 4.18Å; Q225-M228 PolarHBondContact O-N 3.22Å; M228-F230 VanDerWaalsContact C-N 3.31Å; M228-F230 PolarHBondContact O-N 2.96Å; M228-Q231 WeakPolarHBondContact O-CB 3.35Å; M228-Q231 PolarHBondContact O-N 3.06Å; M228-Q231 VanDerWaalsContact O-N 3.11Å; M228-V232 WeakPolarHBondContact O-CG2 3.39Å; M228-V232 PolarHBondContact O-N 3.47Å; M228-V232 HydrophobicContact SD-CG2 3.6Å
229	L	91.9	Very high	90.7	Very high	69 Å²	69	67.4 Å²	67.4	36%	0.361	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-37.4	178.1	-67.9	174.1	0	0	0	112.4	E222 Q225 I226 E227 Q231 N233	E222-L229 HydrophobicContact CG-CD1 3.77Å; Q225-L229 HydrophobicContact CB-CD1 4.43Å; Q225-L229 HydrophobicContact CB-CG 4.32Å; Q225-L229 WeakPolarHBondContact O-CG 3.39Å; Q225-L229 PolarHBondContact O-N 3.04Å; I226-L229 PolarHBondContact O-N 2.64Å; E227-L229 VanDerWaalsContact C-N 3.3Å; E227-L229 PolarHBondContact O-N 2.92Å; L229-Q231 VanDerWaalsContact C-N 3.35Å; L229-N233 WeakPolarHBondContact O-CB 3.37Å; L229-N233 PolarHBondContact O-N 3.44Å
230	F	92.2	Very high	89.7	Confident	39 Å²	39	67.3 Å²	67.3	17%	0.171	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-42.8	173.3	180	-91	0	0	0	111.3	P133 D135 L136 I226 E227 M228 N233 R234	P133-F230 HydrophobicContact CG-CE1 3.66Å; P133-F230 HydrophobicContact CG-CZ 3.65Å; D135-F230 HydrophobicContact CB-CE2 3.84Å; D135-F230 HydrophobicContact CB-CZ 4.13Å; L136-F230 HydrophobicContact CB-CD1 4.19Å; L136-F230 HydrophobicContact CB-CD2 4.18Å; L136-F230 HydrophobicContact CB-CE1 4.07Å; L136-F230 HydrophobicContact CB-CE2 4.06Å; L136-F230 HydrophobicContact CB-CG 4.25Å; L136-F230 HydrophobicContact CB-CZ 4.01Å; L136-F230 HydrophobicContact CD1-CB 3.83Å; L136-F230 HydrophobicContact CD1-CD1 4.24Å; L136-F230 HydrophobicContact CD1-CD2 4.18Å; L136-F230 HydrophobicContact CD1-CG 3.83Å; L136-F230 HydrophobicContact CD2-CD1 4.37Å; L136-F230 HydrophobicContact CG-CG 4.49Å; I226-F230 WeakPolarHBondContact O-CB 3.31Å; I226-F230 PolarHBondContact O-N 3.35Å; E227-F230 WeakPolarHBondContact O-CA 3.46Å; E227-F230 VanDerWaalsContact O-CB 3.32Å; E227-F230 WeakPolarHBondContact O-CB 3.32Å; E227-F230 PolarHBondContact O-N 3.05Å; M228-F230 VanDerWaalsContact C-N 3.31Å; M228-F230 PolarHBondContact O-N 2.96Å; F230-N233 PolarHBondContact O-N 3.12Å; F230-R234 WeakPolarHBondContact O-CB 3.16Å; F230-R234 PolarHBondContact O-N 3.32Å; F230-R234 VanDerWaalsContact O-N 3.09Å
231	Q	90.7	Very high	88.9	Confident	87 Å²	87	73.6 Å²	73.6	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-46.4	177.2	-56	-167.6	-10.3	0	0	111.6	E227 M228 L229 N233 R234 W235	E227-Q231 VanDerWaalsContact O-CG 3.28Å; E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.34Å; M228-Q231 WeakPolarHBondContact O-CB 3.35Å; M228-Q231 PolarHBondContact O-N 3.06Å; M228-Q231 VanDerWaalsContact O-N 3.11Å; L229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-N233 VanDerWaalsContact C-N 3.33Å; Q231-N233 PolarHBondContact O-N 2.84Å; Q231-R234 PolarHBondContact O-N 3.48Å; Q231-R234 VanDerWaalsContact O-N 3.12Å; Q231-W235 HydrophobicContact CB-CE3 3.63Å; Q231-W235 HydrophobicContact CB-CZ3 3.56Å; Q231-W235 HydrophobicContact CG-CE3 4.22Å; Q231-W235 HydrophobicContact CG-CZ3 3.62Å; Q231-W235 VanDerWaalsContact O-CE3 3.27Å; Q231-W235 PolarHBondContact O-N 3.09Å
232	V	89.5	Confident	88.2	Confident	30 Å²	30	75.3 Å²	75.3	18%	0.182	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-42.8	176.7	166.6	0	0	0	0	111.4	M228 R234 G236 D237	M228-V232 WeakPolarHBondContact O-CG2 3.39Å; M228-V232 PolarHBondContact O-N 3.47Å; M228-V232 HydrophobicContact SD-CG2 3.6Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 3.36Å; V232-G236 CarbonylContact O-C 3.21Å; V232-G236 WeakPolarHBondContact O-CA 3.46Å; V232-G236 PolarHBondContact O-N 2.92Å; V232-D237 HydrophobicContact CG1-CB 3.9Å
233	N	87.9	Confident	87.6	Confident	145 Å²	145	75.3 Å²	75.3	78%	0.775	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-32.7	177.5	-171	32.3	0	0	0	112.6	L229 F230 Q231	L229-N233 WeakPolarHBondContact O-CB 3.37Å; L229-N233 PolarHBondContact O-N 3.44Å; F230-N233 PolarHBondContact O-N 3.12Å; Q231-N233 VanDerWaalsContact C-N 3.33Å; Q231-N233 PolarHBondContact O-N 2.84Å
234	R	88.6	Confident	87.3	Confident	180 Å²	180	79.3 Å²	79.3	68%	0.679	41%	0.409	S	S	*	.	H	α-helix	trans	-81.9	-39.2	-177.7	-172.2	61.7	165.8	177	-4	113.3	F230 Q231 V232	F230-R234 WeakPolarHBondContact O-CB 3.16Å; F230-R234 PolarHBondContact O-N 3.32Å; F230-R234 VanDerWaalsContact O-N 3.09Å; Q231-R234 PolarHBondContact O-N 3.48Å; Q231-R234 VanDerWaalsContact O-N 3.12Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 3.36Å
235	W	85.6	Confident	86.9	Confident	187 Å²	187	81.9 Å²	81.9	71%	0.708	42%	0.418	S	S	*	.	H	α-helix	trans	-115.3	-2.1	-171.1	-63.5	-65.2	0	0	0	114.4	Q231	Q231-W235 HydrophobicContact CB-CE3 3.63Å; Q231-W235 HydrophobicContact CB-CZ3 3.56Å; Q231-W235 HydrophobicContact CG-CE3 4.22Å; Q231-W235 HydrophobicContact CG-CZ3 3.62Å; Q231-W235 VanDerWaalsContact O-CE3 3.27Å; Q231-W235 PolarHBondContact O-N 3.09Å
236	G	82.2	Confident	86.8	Confident	44 Å²	44	83.8 Å²	83.8	45%	0.454	43%	0.429	S	S	.	.			trans	94.1	156.8	-177.4	0	0	0	0	0	112.4	V232	V232-G236 CarbonylContact O-C 3.21Å; V232-G236 WeakPolarHBondContact O-CA 3.46Å; V232-G236 PolarHBondContact O-N 2.92Å
237	D	80.7	Confident	86.7	Confident	84 Å²	84	86.1 Å²	86.1	45%	0.449	45%	0.45	S	S	.	.			trans	-76.9	153.2	175.8	-171.4	16.9	0	0	0	111.1	V232 P239 H242	V232-D237 HydrophobicContact CG1-CB 3.9Å; D237-P239 WeakPolarHBondContact O-CD 3.45Å; D237-H242 WeakPolarHBondContact OD1-CB 3.3Å; D237-H242 IonicContact OD1-CD2 3.2Å; D237-H242 PolarHBondContact OD1-CD2 3.01Å; D237-H242 IonicContact OD1-CG 3.03Å
238	V	78.9	Confident	86.8	Confident	79 Å²	79	83.7 Å²	83.7	48%	0.479	44%	0.44	S	S	.	.			trans	-102	97.8	167	-177.2	0	0	0	0	106.5	Y241 H242	V238-Y241 PolarHBondContact O-N 2.99Å; V238-H242 PolarHBondContact N-CD2 3.02Å; V238-H242 PolarHBondContact O-N 2.76Å
239	P	76.5	Confident	86.9	Confident	100 Å²	100	82.9 Å²	82.9	65%	0.649	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	145.8	-176.2	-23.6	34	0	0	0	111.5	D237 Y241	D237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-Y241 PolarHBondContact O-N 2.94Å
240	S	76.8	Confident	87.2	Confident	93 Å²	93	81.2 Å²	81.2	65%	0.65	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-6.3	-177.6	-48.4	0	0	0	0	116.2	D243 V244	S240-D243 WeakPolarHBondContact CA-OD1 3.29Å; S240-D243 PolarHBondContact N-OD1 3.11Å; S240-D243 VanDerWaalsContact N-OD1 3.1Å; S240-V244 WeakPolarHBondContact O-CG2 3.25Å
241	Y	82.2	Confident	87.4	Confident	131 Å²	131	81.7 Å²	81.7	51%	0.514	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-64.5	174.7	-175.3	-92.5	0	0	0	110.9	V238 P239 D243 V244 E245	V238-Y241 PolarHBondContact O-N 2.99Å; P239-Y241 PolarHBondContact O-N 2.94Å; Y241-D243 PolarHBondContact N-OD1 2.81Å; Y241-D243 PolarHBondContact O-N 2.96Å; Y241-V244 PolarHBondContact O-N 2.63Å; Y241-E245 VanDerWaalsContact CE1-OE2 3.24Å; Y241-E245 WeakPolarHBondContact CE1-OE2 3.18Å; Y241-E245 WeakPolarHBondContact O-CB 3.41Å; Y241-E245 PolarHBondContact O-N 2.86Å
242	H	81.6	Confident	87.7	Confident	37 Å²	37	82.7 Å²	82.7	17%	0.171	44%	0.439	C	S	.	.	H	α-helix	trans	-70	-33.7	-173.4	-66.7	-56.4	0	0	0	113.3	D237 V238 N246	D237-H242 WeakPolarHBondContact OD1-CB 3.3Å; D237-H242 IonicContact OD1-CD2 3.2Å; D237-H242 PolarHBondContact OD1-CD2 3.01Å; D237-H242 IonicContact OD1-CG 3.03Å; V238-H242 PolarHBondContact N-CD2 3.02Å; V238-H242 PolarHBondContact O-N 2.76Å; H242-N246 WeakPolarHBondContact O-CB 3.38Å; H242-N246 PolarHBondContact O-N 3.5Å
243	D	85.4	Confident	88.1	Confident	85 Å²	85	81.2 Å²	81.2	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-46	175.7	61.3	-25.3	0	0	0	112.1	S240 Y241 A247	S240-D243 WeakPolarHBondContact CA-OD1 3.29Å; S240-D243 PolarHBondContact N-OD1 3.11Å; S240-D243 VanDerWaalsContact N-OD1 3.1Å; Y241-D243 PolarHBondContact N-OD1 2.81Å; Y241-D243 PolarHBondContact O-N 2.96Å; D243-A247 WeakPolarHBondContact O-CB 3.31Å; D243-A247 PolarHBondContact O-N 3.32Å
244	V	89.6	Confident	88.6	Confident	87 Å²	87	76.9 Å²	76.9	53%	0.527	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-45.4	177.7	176.6	0	0	0	0	111	S240 Y241 A247 D248	S240-V244 WeakPolarHBondContact O-CG2 3.25Å; Y241-V244 PolarHBondContact O-N 2.63Å; V244-A247 PolarHBondContact O-N 3.38Å; V244-D248 VanDerWaalsContact O-CB 3.32Å; V244-D248 WeakPolarHBondContact O-CB 3.35Å; V244-D248 PolarHBondContact O-N 2.85Å
245	E	89.3	Confident	89	Confident	78 Å²	78	68.7 Å²	68.7	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-61.7	-44.7	178	-176.4	169.7	-145.9	0	0	111.2	Y241 A247 D248 L249	Y241-E245 VanDerWaalsContact CE1-OE2 3.24Å; Y241-E245 WeakPolarHBondContact CE1-OE2 3.18Å; Y241-E245 WeakPolarHBondContact O-CB 3.41Å; Y241-E245 PolarHBondContact O-N 2.86Å; E245-A247 PolarHBondContact O-N 2.91Å; E245-D248 PolarHBondContact O-N 3.45Å; E245-L249 VanDerWaalsContact O-CB 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.04Å
246	N	92	Very high	89.6	Confident	61 Å²	61	59.8 Å²	59.8	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-41.6	177.3	-175.7	48.8	0	0	0	112	Q225 H242 N250	Q225-N246 PolarHBondContact NE2-OD1 2.89Å; H242-N246 WeakPolarHBondContact O-CB 3.38Å; H242-N246 PolarHBondContact O-N 3.5Å; N246-N250 WeakPolarHBondContact O-CB 3.12Å; N246-N250 PolarHBondContact O-N 3.23Å; N246-N250 PolarHBondContact O-ND2 3.25Å; N246-N250 PolarHBondContact OD1-ND2 3.46Å
247	A	93.1	Very high	90.3	Very high	61 Å²	61	58.7 Å²	58.7	50%	0.504	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.8	0	0	0	0	0	112.2	D243 V244 E245 N250 A251	D243-A247 WeakPolarHBondContact O-CB 3.31Å; D243-A247 PolarHBondContact O-N 3.32Å; V244-A247 PolarHBondContact O-N 3.38Å; E245-A247 PolarHBondContact O-N 2.91Å; A247-N250 PolarHBondContact O-N 3.29Å; A247-A251 WeakPolarHBondContact O-CB 3.25Å; A247-A251 PolarHBondContact O-N 3.43Å
248	D	94.7	Very high	91.1	Very high	41 Å²	41	58.3 Å²	58.3	22%	0.219	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-42.9	177.2	171.5	65.8	0	0	0	111.8	V244 E245 A251 R252	V244-D248 VanDerWaalsContact O-CB 3.32Å; V244-D248 WeakPolarHBondContact O-CB 3.35Å; V244-D248 PolarHBondContact O-N 2.85Å; E245-D248 PolarHBondContact O-N 3.45Å; D248-A251 PolarHBondContact O-N 3.3Å; D248-R252 VanDerWaalsContact CG-CZ 3.45Å; D248-R252 VanDerWaalsContact CG-NE 3.28Å; D248-R252 VanDerWaalsContact CG-NH2 3.26Å; D248-R252 VanDerWaalsContact O-CG 3.28Å; D248-R252 WeakPolarHBondContact O-CG 3.3Å; D248-R252 PolarHBondContact O-N 3.02Å; D248-R252 IonicContact OD1-CZ 2.8Å; D248-R252 IonicContact OD1-NE 3.44Å; D248-R252 PolarHBondContact OD1-NE 3.38Å; D248-R252 IonicContact OD1-NH2 2.68Å; D248-R252 PolarHBondContact OD1-NH2 3Å; D248-R252 IonicContact OD2-CZ 2.91Å; D248-R252 IonicContact OD2-NE 2.75Å; D248-R252 PolarHBondContact OD2-NE 3.05Å; D248-R252 IonicContact OD2-NH1 3.75Å; D248-R252 PolarHBondContact OD2-NH1 2.86Å; D248-R252 IonicContact OD2-NH2 3.65Å; D248-R252 PolarHBondContact OD2-NH2 2.94Å
249	L	96.1	Very high	91.9	Very high	22 Å²	22	54.6 Å²	54.6	12%	0.115	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.9	-176.2	58.7	0	0	0	111.7	N200 V221 Q225 E245 A251 R252 V253	N200-L249 HydrophobicContact CB-CD1 3.65Å; V221-L249 HydrophobicContact CG1-CB 4.39Å; V221-L249 HydrophobicContact CG1-CD2 3.82Å; V221-L249 HydrophobicContact CG1-CG 3.89Å; V221-L249 HydrophobicContact CG2-CG 4.29Å; Q225-L249 HydrophobicContact CG-CD2 4.27Å; E245-L249 VanDerWaalsContact O-CB 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.04Å; L249-A251 VanDerWaalsContact C-N 3.33Å; L249-A251 PolarHBondContact O-N 2.83Å; L249-R252 PolarHBondContact O-N 2.87Å; L249-V253 HydrophobicContact CD1-CG2 4.03Å; L249-V253 HydrophobicContact CG-CG2 4.46Å; L249-V253 WeakPolarHBondContact O-CB 3.49Å; L249-V253 WeakPolarHBondContact O-CG2 3.27Å; L249-V253 PolarHBondContact O-N 2.84Å
250	N	97	Very high	92.8	Very high	34 Å²	34	49.9 Å²	49.9	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-44	173.7	-87.7	-73.3	0	0	0	112.1	A218 N246 A247 S254	A218-N250 WeakPolarHBondContact CA-OD1 3.25Å; N246-N250 WeakPolarHBondContact O-CB 3.12Å; N246-N250 PolarHBondContact O-N 3.23Å; N246-N250 PolarHBondContact O-ND2 3.25Å; N246-N250 PolarHBondContact OD1-ND2 3.46Å; A247-N250 PolarHBondContact O-N 3.29Å; N250-S254 WeakPolarHBondContact O-CB 3.41Å; N250-S254 PolarHBondContact O-N 2.74Å; N250-S254 PolarHBondContact O-OG 3.31Å
251	A	96.4	Very high	93.6	Very high	49 Å²	49	49 Å²	49	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-45.2	177.8	0	0	0	0	0	111.8	A247 D248 L249 A255	A247-A251 WeakPolarHBondContact O-CB 3.25Å; A247-A251 PolarHBondContact O-N 3.43Å; D248-A251 PolarHBondContact O-N 3.3Å; L249-A251 VanDerWaalsContact C-N 3.33Å; L249-A251 PolarHBondContact O-N 2.83Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.39Å
252	R	97.4	Very high	94	Very high	108 Å²	108	44.3 Å²	44.3	41%	0.408	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-47.7	178.8	-71	172.3	-171.2	-174.5	5.3	112.4	D248 L249 A255 A256	D248-R252 VanDerWaalsContact CG-CZ 3.45Å; D248-R252 VanDerWaalsContact CG-NE 3.28Å; D248-R252 VanDerWaalsContact CG-NH2 3.26Å; D248-R252 VanDerWaalsContact O-CG 3.28Å; D248-R252 WeakPolarHBondContact O-CG 3.3Å; D248-R252 PolarHBondContact O-N 3.02Å; D248-R252 IonicContact OD1-CZ 2.8Å; D248-R252 IonicContact OD1-NE 3.44Å; D248-R252 PolarHBondContact OD1-NE 3.38Å; D248-R252 IonicContact OD1-NH2 2.68Å; D248-R252 PolarHBondContact OD1-NH2 3Å; D248-R252 IonicContact OD2-CZ 2.91Å; D248-R252 IonicContact OD2-NE 2.75Å; D248-R252 PolarHBondContact OD2-NE 3.05Å; D248-R252 IonicContact OD2-NH1 3.75Å; D248-R252 PolarHBondContact OD2-NH1 2.86Å; D248-R252 IonicContact OD2-NH2 3.65Å; D248-R252 PolarHBondContact OD2-NH2 2.94Å; L249-R252 PolarHBondContact O-N 2.87Å; R252-A255 PolarHBondContact O-N 2.98Å; R252-A256 WeakPolarHBondContact O-CB 3.48Å; R252-A256 PolarHBondContact O-N 2.91Å
253	V	98.2	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-42.3	-179.9	173.7	0	0	0	0	110.7	N200 L201 M210 A217 V221 L249 A256 L257	N200-V253 HydrophobicContact CB-CG2 3.75Å; L201-V253 HydrophobicContact CD1-CG1 4.21Å; L201-V253 HydrophobicContact CD2-CG1 4.44Å; L201-V253 HydrophobicContact CD2-CG2 3.99Å; L201-V253 HydrophobicContact CG-CG1 4.4Å; L201-V253 HydrophobicContact CG-CG2 4.05Å; M210-V253 HydrophobicContact CE-CG1 3.84Å; M210-V253 HydrophobicContact SD-CG1 3.69Å; A217-V253 HydrophobicContact CB-CG1 4.25Å; V221-V253 HydrophobicContact CG2-CB 3.83Å; V221-V253 HydrophobicContact CG2-CG1 4.02Å; V221-V253 HydrophobicContact CG2-CG2 3.82Å; L249-V253 HydrophobicContact CD1-CG2 4.03Å; L249-V253 HydrophobicContact CG-CG2 4.46Å; L249-V253 WeakPolarHBondContact O-CB 3.49Å; L249-V253 WeakPolarHBondContact O-CG2 3.27Å; L249-V253 PolarHBondContact O-N 2.84Å; V253-A256 PolarHBondContact O-N 3.4Å; V253-L257 WeakPolarHBondContact O-CB 3.19Å; V253-L257 PolarHBondContact O-N 3.4Å
254	S	97.9	Very high	93.8	Very high	53 Å²	53	42.1 Å²	42.1	37%	0.371	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-43.4	177.8	-58.8	0	0	0	0	112	A217 N250 L257 F258	A217-S254 WeakPolarHBondContact CB-OG 3.5Å; N250-S254 WeakPolarHBondContact O-CB 3.41Å; N250-S254 PolarHBondContact O-N 2.74Å; N250-S254 PolarHBondContact O-OG 3.31Å; S254-L257 PolarHBondContact O-N 3.42Å; S254-F258 VanDerWaalsContact O-CB 3.27Å; S254-F258 WeakPolarHBondContact O-CB 3.45Å; S254-F258 PolarHBondContact O-N 3.5Å
255	A	97.6	Very high	92.3	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-40.8	175.8	0	0	0	0	0	112.2	P94 L95 L98 A251 R252 F258 L259	P94-A255 HydrophobicContact CB-CB 3.63Å; P94-A255 HydrophobicContact CG-CB 3.68Å; L95-A255 HydrophobicContact CD2-CB 3.71Å; L95-A255 WeakPolarHBondContact CD2-O 3.44Å; L95-A255 HydrophobicContact CG-CB 3.93Å; L98-A255 HydrophobicContact CD1-CB 4.17Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.39Å; R252-A255 PolarHBondContact O-N 2.98Å; A255-F258 PolarHBondContact O-N 3.46Å; A255-L259 PolarHBondContact O-N 2.88Å
256	A	98	Very high	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-44.6	177	0	0	0	0	0	112.4	L98 G193 C197 R252 V253 L259 A260	L98-A256 HydrophobicContact CD1-CB 4Å; G193-A256 WeakPolarHBondContact CA-O 3.33Å; G193-A256 WeakPolarHBondContact O-CB 3.32Å; C197-A256 WeakPolarHBondContact SG-CB 3.44Å; R252-A256 WeakPolarHBondContact O-CB 3.48Å; R252-A256 PolarHBondContact O-N 2.91Å; V253-A256 PolarHBondContact O-N 3.4Å; A256-L259 PolarHBondContact O-N 3.39Å; A256-A260 PolarHBondContact O-N 3.28Å
257	L	97.4	Very high	88.4	Confident	20 Å²	20	48 Å²	48	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-44.4	173.8	179.6	62.5	0	0	0	111.1	C197 M210 L211 A217 V253 S254 L259 A260 L261	C197-L257 PolarHBondContact SG-N 3.38Å; M210-L257 HydrophobicContact CB-CD1 3.91Å; M210-L257 HydrophobicContact CB-CD2 4.02Å; M210-L257 HydrophobicContact SD-CD2 4.28Å; L211-L257 HydrophobicContact CD2-CD1 4Å; L211-L257 HydrophobicContact CG-CD1 4.49Å; A217-L257 HydrophobicContact CB-CD2 4.15Å; V253-L257 WeakPolarHBondContact O-CB 3.19Å; V253-L257 PolarHBondContact O-N 3.4Å; S254-L257 PolarHBondContact O-N 3.42Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.3Å; L257-A260 PolarHBondContact O-N 3.12Å; L257-A260 VanDerWaalsContact O-N 3.14Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.48Å; L257-L261 HydrophobicContact CD1-CG 4.01Å; L257-L261 HydrophobicContact CG-CD1 3.87Å; L257-L261 HydrophobicContact CG-CG 4.31Å; L257-L261 WeakPolarHBondContact O-CG 3.11Å; L257-L261 PolarHBondContact O-N 3.22Å
258	F	96.6	Very high	85.8	Confident	77 Å²	77	51.4 Å²	51.4	34%	0.338	26%	0.255	S	S	.	.	H	α-helix	trans	-58.3	-44.4	177.3	-176.7	-107.7	0	0	0	111.9	L73 A76 L95 S254 A255 A260 L262	L73-F258 HydrophobicContact CD1-CD1 4.34Å; L73-F258 HydrophobicContact CD1-CE1 4.23Å; A76-F258 HydrophobicContact CB-CE1 3.73Å; A76-F258 HydrophobicContact CB-CZ 4.2Å; L95-F258 HydrophobicContact CD1-CD1 4.19Å; L95-F258 HydrophobicContact CD1-CE1 4.33Å; L95-F258 HydrophobicContact CD2-CD1 3.78Å; S254-F258 VanDerWaalsContact O-CB 3.27Å; S254-F258 WeakPolarHBondContact O-CB 3.45Å; S254-F258 PolarHBondContact O-N 3.5Å; A255-F258 PolarHBondContact O-N 3.46Å; F258-A260 PolarHBondContact O-N 3.14Å; F258-L262 HydrophobicContact CD1-CD1 3.91Å; F258-L262 HydrophobicContact CD2-CD1 4.3Å; F258-L262 HydrophobicContact CD2-CG 4.34Å; F258-L262 HydrophobicContact CE1-CD1 3.33Å; F258-L262 HydrophobicContact CE1-CG 4.32Å; F258-L262 HydrophobicContact CE2-CD1 3.77Å; F258-L262 HydrophobicContact CE2-CD2 4.5Å; F258-L262 HydrophobicContact CE2-CG 4.1Å; F258-L262 HydrophobicContact CG-CD1 4.38Å; F258-L262 HydrophobicContact CZ-CD1 3.28Å; F258-L262 HydrophobicContact CZ-CG 4.12Å; F258-L262 WeakPolarHBondContact O-CB 2.95Å; F258-L262 WeakPolarHBondContact O-CG 3.15Å; F258-L262 PolarHBondContact O-N 3.48Å
259	L	96.1	Very high	83.1	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-44.3	175.3	177.4	63.5	0	0	0	111.7	L73 L98 W189 T192 A255 A256 L257 S263	L73-L259 HydrophobicContact CD1-CD1 4.25Å; L73-L259 HydrophobicContact CD2-CD1 3.54Å; L98-L259 HydrophobicContact CB-CD2 3.78Å; W189-L259 HydrophobicContact CB-CD1 4.39Å; W189-L259 HydrophobicContact CE3-CD1 3.77Å; T192-L259 HydrophobicContact CG2-CD2 4.45Å; A255-L259 PolarHBondContact O-N 2.88Å; A256-L259 PolarHBondContact O-N 3.39Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.3Å; L259-S263 WeakPolarHBondContact O-CB 3.48Å; L259-S263 PolarHBondContact O-N 3.37Å; L259-S263 PolarHBondContact O-OG 3.03Å
260	A	95.3	Very high	80.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-43.6	-179.2	0	0	0	0	0	112.9	I194 L211 A256 L257 F258 S263 H264	I194-A260 HydrophobicContact CG1-CB 3.95Å; L211-A260 HydrophobicContact CD2-CB 3.82Å; A256-A260 PolarHBondContact O-N 3.28Å; L257-A260 PolarHBondContact O-N 3.12Å; L257-A260 VanDerWaalsContact O-N 3.14Å; F258-A260 PolarHBondContact O-N 3.14Å; A260-S263 PolarHBondContact O-OG 2.72Å; A260-H264 PolarHBondContact O-N 3.12Å
261	L	94.2	Very high	77.4	Confident	75 Å²	75	67 Å²	67	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-44.9	-179	-66.7	175.3	0	0	0	112.2	L211 L257 S263 H264 H265	L211-L261 HydrophobicContact CD2-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.48Å; L257-L261 HydrophobicContact CD1-CG 4.01Å; L257-L261 HydrophobicContact CG-CD1 3.87Å; L257-L261 HydrophobicContact CG-CG 4.31Å; L257-L261 WeakPolarHBondContact O-CG 3.11Å; L257-L261 PolarHBondContact O-N 3.22Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.3Å; L261-H264 PolarHBondContact O-N 3.03Å; L261-H265 PolarHBondContact O-N 3.43Å; L261-H265 VanDerWaalsContact O-N 3.15Å
262	L	91	Very high	74.5	Confident	32 Å²	32	74.3 Å²	74.3	17%	0.168	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-30	-178.1	-76.6	-169.5	0	0	0	113.8	N70 A72 L73 F258	N70-L262 PolarHBondContact ND2-O 3.29Å; N70-L262 VanDerWaalsContact ND2-O 3.16Å; A72-L262 HydrophobicContact CB-CD1 3.96Å; A72-L262 HydrophobicContact CB-CD2 4.32Å; L73-L262 HydrophobicContact CB-CD1 3.98Å; F258-L262 HydrophobicContact CD1-CD1 3.91Å; F258-L262 HydrophobicContact CD2-CD1 4.3Å; F258-L262 HydrophobicContact CD2-CG 4.34Å; F258-L262 HydrophobicContact CE1-CD1 3.33Å; F258-L262 HydrophobicContact CE1-CG 4.32Å; F258-L262 HydrophobicContact CE2-CD1 3.77Å; F258-L262 HydrophobicContact CE2-CD2 4.5Å; F258-L262 HydrophobicContact CE2-CG 4.1Å; F258-L262 HydrophobicContact CG-CD1 4.38Å; F258-L262 HydrophobicContact CZ-CD1 3.28Å; F258-L262 HydrophobicContact CZ-CG 4.12Å; F258-L262 WeakPolarHBondContact O-CB 2.95Å; F258-L262 WeakPolarHBondContact O-CG 3.15Å; F258-L262 PolarHBondContact O-N 3.48Å
263	S	84.8	Confident	71.7	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.028	37%	0.37	C	S	.	.	H	α-helix	trans	-76.5	-30.1	178.2	77.1	0	0	0	0	112.3	N187 G190 L259 A260 L261	N187-S263 PolarHBondContact ND2-O 3.13Å; N187-S263 WeakPolarHBondContact OD1-CB 3.06Å; N187-S263 PolarHBondContact OD1-OG 2.98Å; N187-S263 VanDerWaalsContact OD1-OG 3.13Å; G190-S263 WeakPolarHBondContact CA-OG 3.48Å; G190-S263 PolarHBondContact N-OG 2.85Å; L259-S263 WeakPolarHBondContact O-CB 3.48Å; L259-S263 PolarHBondContact O-N 3.37Å; L259-S263 PolarHBondContact O-OG 3.03Å; A260-S263 PolarHBondContact O-OG 2.72Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 3.3Å
264	H	76.1	Confident	68.8	Low	72 Å²	72	79.9 Å²	79.9	33%	0.333	41%	0.405	S	S	.	.	H	α-helix	trans	-76.4	-39.3	178.9	-166.5	85.3	0	0	0	111.8	Y186 A260 L261 Q266 R267	Y186-H264 HydrophobicContact CD1-CB 4.38Å; Y186-H264 AromaticContact CD1-ND1 3.69Å; Y186-H264 HydrophobicContact CE1-CB 4.04Å; Y186-H264 AromaticContact CE1-CG 3.92Å; Y186-H264 AromaticContact CE1-ND1 3.49Å; Y186-H264 WeakPolarHBondContact CE1-ND1 3.29Å; Y186-H264 AromaticContact CZ-ND1 3.91Å; A260-H264 PolarHBondContact O-N 3.12Å; L261-H264 PolarHBondContact O-N 3.03Å; H264-Q266 PolarHBondContact O-N 2.91Å; H264-R267 PolarHBondContact O-N 3.16Å
265	H	59.9	Low	66.2	Low	139 Å²	139	85 Å²	85	64%	0.644	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-63	-16	-174.5	-143.2	-53.6	0	0	0	114.7	L261 R267 D268	L261-H265 PolarHBondContact O-N 3.43Å; L261-H265 VanDerWaalsContact O-N 3.15Å; H265-R267 PolarHBondContact O-N 2.79Å; H265-R267 VanDerWaalsContact O-N 3.16Å; H265-D268 PolarHBondContact O-N 3.24Å
266	Q	52	Low	63.8	Low	70 Å²	70	99.6 Å²	99.6	33%	0.327	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-64	-14.4	175.8	-80.8	-166.6	-33.1	0	0	114.1	P69 H264	P69-Q266 PolarHBondContact O-NE2 3.05Å; H264-Q266 PolarHBondContact O-N 2.91Å
267	R	47.6	Very low	62.1	Low	142 Å²	142	104.6 Å²	104.6	54%	0.536	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-76.4	-17.6	-179.4	-72.8	-166.2	-178.2	134.9	-2.8	115.4	S185 H264 H265	S185-R267 PolarHBondContact O-NH1 3.17Å; S185-R267 PolarHBondContact O-NH2 2.72Å; H264-R267 PolarHBondContact O-N 3.16Å; H265-R267 PolarHBondContact O-N 2.79Å; H265-R267 VanDerWaalsContact O-N 3.16Å
268	D	37.6	Very low	60.3	Low	131 Å²	131	109 Å²	109	70%	0.701	52%	0.524	S	S	*	.			trans	-119.7	21.8	-168.5	-83.8	-31.4	0	0	0	116.8	H265 K270	H265-D268 PolarHBondContact O-N 3.24Å; D268-K270 PolarHBondContact O-N 2.89Å; D268-K270 VanDerWaalsContact O-N 3.13Å
269	I	38.3	Very low	58.2	Low	139 Å²	139	110.8 Å²	110.8	71%	0.713	54%	0.535	S	S	*	.			trans	-87.1	64.2	158.2	-46	177.1	0	0	0	108.4	V271	I269-V271 HydrophobicContact CG2-CG2 4.08Å; I269-V271 PolarHBondContact O-N 2.88Å
270	K	36.4	Very low	56	Low	186 Å²	186	117.2 Å²	117.2	81%	0.809	57%	0.566	S	S	*	*			trans	-66.5	95.3	151.7	-78.7	-174.9	-178.7	175	0	105.5	D268 K272	D268-K270 PolarHBondContact O-N 2.89Å; D268-K270 VanDerWaalsContact O-N 3.13Å; K270-K272 PolarHBondContact O-N 3.2Å
271	V	36.6	Very low	53.6	Low	101 Å²	101	124.6 Å²	124.6	61%	0.612	60%	0.601	S	S	*	*			trans	-46.9	111.4	170.3	178.1	0	0	0	0	106.9	I269 T273	I269-V271 HydrophobicContact CG2-CG2 4.08Å; I269-V271 PolarHBondContact O-N 2.88Å; V271-T273 HydrophobicContact CG1-CG2 4.05Å; V271-T273 PolarHBondContact O-N 3.17Å
272	K	35.1	Very low	50.8	Low	201 Å²	201	127.9 Å²	127.9	87%	0.874	62%	0.615	S	S	*	*			trans	-63.3	86.2	157.4	-92	-177.1	173.7	177.1	0	105.6	K270 S274	K270-K272 PolarHBondContact O-N 3.2Å; K272-S274 PolarHBondContact O-N 2.89Å
273	T	39.8	Very low	48	Very low	121 Å²	121	134.7 Å²	134.7	74%	0.742	65%	0.647	S	S	*	*			trans	-67.6	86.5	153.6	28.9	0	0	0	0	105.7	V271 I275	V271-T273 HydrophobicContact CG1-CG2 4.05Å; V271-T273 PolarHBondContact O-N 3.17Å; T273-I275 VanDerWaalsContact C-N 3.31Å; T273-I275 PolarHBondContact O-N 2.75Å
274	S	37.6	Very low	45.2	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	70%	0.695	S	S	*	*			trans	-68.3	99	161.1	55	0	0	0	0	107.2	K272	K272-S274 PolarHBondContact O-N 2.89Å
275	I	43	Very low	42.6	Very low	161 Å²	161	150.8 Å²	150.8	83%	0.826	73%	0.725	S	S	*	*			trans	-3.1	118	143.9	-57.4	159.5	0	0	0	112.2	T273	T273-I275 VanDerWaalsContact C-N 3.31Å; T273-I275 PolarHBondContact O-N 2.75Å
276	R	47	Very low	41	Very low	315 Å²	315	151.9 Å²	151.9	100%	1.189	73%	0.732	S	S	*	*			trans	-81.6	0	155.1	-82	-174	177	-178.2	-0.8	108.9

Retrieved 276 of 276 residues in 510.9 ms (Link to these results)

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