A0A087X9U7_POEFO Loading...

Enoyl-CoA delta isomerase 1, mitochondrial

Key enzyme of fatty acid beta-oxidation. Able to isomerize both 3-cis (3Z) and 3-trans (3E) double bonds into the 2-trans (2E) form in a range of enoyl-CoA species, with a preference for (3Z)-enoyl-CoAs over (3E)-enoyl-CoAs. The catalytic efficiency of this enzyme is not affected by the fatty acyl chain length.

AlphaFold DB , UniProt , Accession A0A087X9U7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	32.5	Very low	244 Å²	244	158.6 Å²	158.6	100%	1.202	88%	0.876	S	S	*	*				0	111.7	0	-112.3	168.8	152.4	0	0	108.2
2	A	33.4	Very low	32.2	Very low	92 Å²	92	153.3 Å²	153.3	76%	0.76	86%	0.858	S	S	*	*			trans	34.2	139.9	153	0	0	0	0	0	120.4
3	L	29.7	Very low	31.9	Very low	167 Å²	167	151.2 Å²	151.2	87%	0.874	86%	0.858	S	S	*	*			cis	-166.3	156.8	7.1	-146	84.9	0	0	0	108.2
4	R	34.4	Very low	31.7	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	85%	0.848	S	S	*	*			trans	-68.9	160.7	166	-68.8	170.5	162	-157.8	-4.4	111.9
5	A	33.8	Very low	32.1	Very low	103 Å²	103	144.3 Å²	144.3	85%	0.851	84%	0.837	S	S	*	*				138.7	132.3	118.4	0	0	0	0	0	115.5
6	A	33.9	Very low	32.1	Very low	89 Å²	89	146.4 Å²	146.4	74%	0.736	84%	0.836	S	S	*	*			trans	-55.6	158.4	167.3	0	0	0	0	0	114.7
7	L	32.4	Very low	32.1	Very low	177 Å²	177	142.4 Å²	142.4	93%	0.927	83%	0.834	S	S	*	*				-165.3	146.1	129.7	-108.9	138.8	0	0	0	113.3
8	R	31.8	Very low	32.2	Very low	237 Å²	237	147.9 Å²	147.9	89%	0.894	84%	0.838	S	S	*	*			trans	-72.8	155.3	-177.4	-66.4	168.1	167.8	-163.4	-4.2	112.2
9	G	28.6	Very low	32.2	Very low	79 Å²	79	148.9 Å²	148.9	81%	0.814	84%	0.84	S	S	*	*			trans	-157.4	105.6	160.1	0	0	0	0	0	110.9
10	L	31.8	Very low	32.5	Very low	164 Å²	164	147.9 Å²	147.9	86%	0.859	84%	0.841	S	S	*	*			trans	-69.2	153.7	166.7	-77.1	126.4	0	0	0	110.6
11	L	30.9	Very low	32.5	Very low	164 Å²	164	145.2 Å²	145.2	86%	0.859	84%	0.838	S	S	*	*			trans	165.4	98.8	146	-86	152.2	0	0	0	107.3
12	S	29.8	Very low	32.5	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	82%	0.815	S	S	*	*				85.8	129.3	88.3	78	0	0	0	0	114.9
13	C	27.3	Very low	32.5	Very low	126 Å²	126	139.5 Å²	139.5	85%	0.851	82%	0.816	S	S	*	*			trans	67.3	140.2	164	-67.2	0	0	0	0	115.7
14	S	29.7	Very low	32.9	Very low	104 Å²	104	137 Å²	137	73%	0.727	81%	0.808	S	S	*	*			cis	-167.3	159	10.5	34.9	0	0	0	0	107.1
15	S	37.4	Very low	33	Very low	96 Å²	96	131 Å²	131	67%	0.671	80%	0.801	S	S	*	*			trans	-3.4	134.7	158.7	48.5	0	0	0	0	117.9
16	H	32.8	Very low	33.2	Very low	178 Å²	178	135.5 Å²	135.5	82%	0.824	80%	0.802	S	S	*	*				-176.8	90	120.1	-94.7	76.7	0	0	0	107.5	R18	H16-R18 PolarHBondContact O-N 3.08Å; H16-R18 VanDerWaalsContact O-N 3.14Å
17	G	32	Very low	33.8	Very low	78 Å²	78	134.2 Å²	134.2	80%	0.804	79%	0.787	S	S	*	*			trans	-62.7	111.9	164.7	0	0	0	0	0	108.6	L19	G17-L19 VanDerWaalsContact C-N 3.33Å; G17-L19 PolarHBondContact O-N 3.14Å; G17-L19 VanDerWaalsContact O-N 3.08Å
18	R	32.9	Very low	35	Very low	242 Å²	242	132.1 Å²	132.1	91%	0.913	77%	0.773	S	S	*	*			trans	-73.9	94.6	163.5	-75.5	-174.6	-162.9	-156.7	3	107.5	H16 C20	H16-R18 PolarHBondContact O-N 3.08Å; H16-R18 VanDerWaalsContact O-N 3.14Å; R18-C20 PolarHBondContact O-N 3.12Å; R18-C20 VanDerWaalsContact O-N 3.12Å
19	L	33.4	Very low	36.6	Very low	167 Å²	167	129 Å²	129	87%	0.874	76%	0.761	S	S	*	*			trans	-62.4	104.7	153.7	-82.8	142.5	0	0	0	106.6	G17 A21	G17-L19 VanDerWaalsContact C-N 3.33Å; G17-L19 PolarHBondContact O-N 3.14Å; G17-L19 VanDerWaalsContact O-N 3.08Å; L19-A21 PolarHBondContact O-N 3.03Å
20	C	36.9	Very low	38.9	Very low	128 Å²	128	129.6 Å²	129.6	87%	0.865	75%	0.746	S	S	*	*			trans	-62.4	93.7	158	-88	0	0	0	0	106.8	R18 S22	R18-C20 PolarHBondContact O-N 3.12Å; R18-C20 VanDerWaalsContact O-N 3.12Å; C20-S22 PolarHBondContact O-N 2.92Å
21	A	33.7	Very low	41.1	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	73%	0.73	S	S	*	*			trans	-66.2	102.1	165.3	0	0	0	0	0	107	L19 S23	L19-A21 PolarHBondContact O-N 3.03Å; A21-S23 PolarHBondContact O-N 3.39Å
22	S	36.2	Very low	43.6	Very low	104 Å²	104	122.1 Å²	122.1	73%	0.727	71%	0.713	S	S	*	*			trans	-59.1	104.9	161.9	51.2	0	0	0	0	107.2	C20 T24	C20-S22 PolarHBondContact O-N 2.92Å; S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 2.98Å
23	S	33.8	Very low	45.9	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	71%	0.711	S	S	*	*			trans	-65.7	93.3	169.2	53.7	0	0	0	0	107.7	A21 S25	A21-S23 PolarHBondContact O-N 3.39Å; S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 2.89Å
24	T	36.3	Very low	48.7	Very low	115 Å²	115	118.3 Å²	118.3	71%	0.706	69%	0.688	S	S	*	*			trans	-61.2	102	160.7	39.8	0	0	0	0	106.7	S22 F26	S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 2.98Å; T24-F26 PolarHBondContact O-N 3.02Å
25	S	37.4	Very low	51.4	Low	103 Å²	103	117.3 Å²	117.3	72%	0.72	69%	0.686	S	S	*	*			trans	-59.6	109.7	171.8	54.1	0	0	0	0	108	S23 S27	S23-S25 VanDerWaalsContact C-N 3.34Å; S23-S25 PolarHBondContact O-N 2.89Å; S25-S27 PolarHBondContact O-N 3.01Å; S25-S27 VanDerWaalsContact O-N 3.07Å
26	F	38.4	Very low	54	Low	196 Å²	196	114.2 Å²	114.2	86%	0.86	66%	0.662	S	S	*	*			trans	-61.1	110	166.7	-102.6	-99	0	0	0	107.5	T24 Q28	T24-F26 PolarHBondContact O-N 3.02Å; F26-Q28 PolarHBondContact O-N 2.99Å
27	S	46.7	Very low	57	Low	62 Å²	62	105.8 Å²	105.8	43%	0.434	62%	0.623	S	S	.	*			trans	-65.7	106.2	173.3	60.6	0	0	0	0	108.5	S25 R29	S25-S27 PolarHBondContact O-N 3.01Å; S25-S27 VanDerWaalsContact O-N 3.07Å; S27-R29 PolarHBondContact O-N 2.89Å; S27-R29 VanDerWaalsContact O-N 3.09Å
28	Q	57.6	Low	60.2	Low	134 Å²	134	105.4 Å²	105.4	63%	0.626	60%	0.599	S	S	*	*			trans	-72.6	100.9	170.2	-82.7	179.4	-23.8	0	0	108.4	F26	F26-Q28 PolarHBondContact O-N 2.99Å
29	R	65.8	Low	63.3	Low	171 Å²	171	94 Å²	94	65%	0.645	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.6	115.9	169.5	-69.7	-175.4	-179.1	-177.7	0.3	108.2	S27 H41	S27-R29 PolarHBondContact O-N 2.89Å; S27-R29 VanDerWaalsContact O-N 3.09Å; R29-H41 WeakPolarHBondContact CA-O 3.49Å
30	N	74.9	Confident	66.3	Low	92 Å²	92	87.9 Å²	87.9	49%	0.492	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.4	170.7	-83.7	-12	0	0	0	108.1	H41 Q43	N30-H41 PolarHBondContact N-O 2.87Å; N30-H41 VanDerWaalsContact N-O 3.15Å; N30-H41 WeakPolarHBondContact O-CB 3.48Å; N30-H41 PolarHBondContact O-N 3.33Å; N30-H41 VanDerWaalsContact O-N 3.12Å; N30-Q43 PolarHBondContact ND2-NE2 3.4Å
31	N	79.4	Confident	69.2	Low	100 Å²	100	82.2 Å²	82.2	54%	0.535	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.5	176.3	-70.1	2.1	0	0	0	109	V39 D40	N31-V39 WeakPolarHBondContact CA-O 3.31Å; N31-D40 PolarHBondContact ND2-OD1 3.45Å; N31-D40 PolarHBondContact OD1-OD1 2.88Å
32	S	81.9	Confident	72.2	Confident	71 Å²	71	79.7 Å²	79.7	50%	0.497	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.4	167.4	68.1	0	0	0	0	108.9	V39	S32-V39 PolarHBondContact N-O 3.22Å; S32-V39 PolarHBondContact O-N 2.75Å
33	S	80.2	Confident	74.9	Confident	88 Å²	88	78.2 Å²	78.2	62%	0.615	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	138	178.8	-166.6	0	0	0	0	108.7
34	S	85.9	Confident	77.7	Confident	52 Å²	52	77.7 Å²	77.7	36%	0.364	43%	0.433	S	S	.	.			trans	-124.4	-175.1	167.9	38.1	0	0	0	0	108.4	N36 L37 Q53 E67	S34-N36 VanDerWaalsContact C-N 3.3Å; S34-N36 PolarHBondContact O-N 2.88Å; S34-L37 PolarHBondContact N-O 2.78Å; S34-L37 PolarHBondContact OG-O 3.15Å; S34-Q53 PolarHBondContact O-NE2 2.82Å; S34-E67 WeakPolarHBondContact CB-OE1 3.38Å; S34-E67 VanDerWaalsContact OG-CD 3.27Å; S34-E67 PolarHBondContact OG-OE1 3.19Å
35	A	85	Confident	80.6	Confident	83 Å²	83	75.8 Å²	75.8	69%	0.686	42%	0.421	S	S	*	.	S	Bend	trans	-61	-39	-174.3	0	0	0	0	0	112.4
36	N	93.2	Very high	83.4	Confident	31 Å²	31	71.1 Å²	71.1	17%	0.166	39%	0.389	C	S	.	.	S	Bend	trans	-112.9	-11.2	-172.2	-58.4	-63.6	0	0	0	114.3	S34 Q53 S54 F64 E67	S34-N36 VanDerWaalsContact C-N 3.3Å; S34-N36 PolarHBondContact O-N 2.88Å; N36-Q53 VanDerWaalsContact C-CG 3.47Å; N36-Q53 CarbonylContact O-C 3.52Å; N36-Q53 WeakPolarHBondContact O-CA 3.49Å; N36-Q53 VanDerWaalsContact O-CG 3.28Å; N36-Q53 WeakPolarHBondContact O-CG 3.39Å; N36-Q53 PolarHBondContact O-N 3.27Å; N36-S54 PolarHBondContact O-N 3.43Å; N36-S54 WeakPolarHBondContact OD1-CB 3.47Å; N36-S54 PolarHBondContact OD1-OG 2.91Å; N36-F64 HydrophobicContact CB-CD2 3.39Å; N36-F64 HydrophobicContact CB-CE2 3.62Å; N36-F64 HydrophobicContact CB-CG 4.28Å; N36-F64 WeakPolarHBondContact O-CE2 3.5Å; N36-E67 WeakPolarHBondContact CB-OE2 3.31Å; N36-E67 PolarHBondContact N-OE1 3Å; N36-E67 VanDerWaalsContact N-OE1 3.14Å; N36-E67 PolarHBondContact ND2-OE2 3.4Å
37	L	95.9	Very high	86.3	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.7	177.9	-66.4	177.9	0	0	0	112	S34 M50 H51 M52 F64 E67 I68	S34-L37 PolarHBondContact N-O 2.78Å; S34-L37 PolarHBondContact OG-O 3.15Å; L37-M50 HydrophobicContact CD1-SD 4.39Å; L37-M50 HydrophobicContact CD2-CG 3.9Å; L37-M50 HydrophobicContact CD2-SD 4.17Å; L37-H51 WeakPolarHBondContact CA-O 3.49Å; L37-M52 HydrophobicContact CD2-CG 4.12Å; L37-F64 HydrophobicContact CD2-CE2 3.46Å; L37-F64 VanDerWaalsContact CD2-CE2 3.46Å; L37-F64 HydrophobicContact CD2-CZ 3.96Å; L37-F64 HydrophobicContact CG-CD2 4.44Å; L37-F64 HydrophobicContact CG-CE2 3.74Å; L37-E67 WeakPolarHBondContact CB-OE1 3.31Å; L37-E67 HydrophobicContact CD1-CB 4.31Å; L37-E67 HydrophobicContact CD1-CG 3.97Å; L37-E67 HydrophobicContact CG-CG 4.3Å; L37-E67 PolarHBondContact N-OE1 2.85Å; L37-I68 HydrophobicContact CD1-CB 4.46Å; L37-I68 HydrophobicContact CD1-CG1 3.86Å; L37-I68 HydrophobicContact CD2-CG1 4.27Å
38	K	97.7	Very high	88.8	Confident	70 Å²	70	59.6 Å²	59.6	30%	0.304	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.2	162.6	177.1	-173.8	-178.8	-118	0	108.8	D40 H51	K38-D40 VanDerWaalsContact CE-OD1 3.24Å; K38-D40 WeakPolarHBondContact CE-OD1 3.36Å; K38-D40 IonicContact NZ-OD1 2.7Å; K38-D40 PolarHBondContact NZ-OD1 2.96Å; K38-D40 IonicContact NZ-OD2 3.94Å; K38-D40 PolarHBondContact NZ-OD2 2.62Å; K38-H51 HydrophobicContact CB-CB 4.19Å; K38-H51 PolarHBondContact N-O 3.41Å; K38-H51 PolarHBondContact O-N 3.22Å
39	V	98.3	Very high	90.7	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.2	176.3	-176.5	0	0	0	0	109.6	N31 S32 A48 V49 M50 T71 L75	N31-V39 WeakPolarHBondContact CA-O 3.31Å; S32-V39 PolarHBondContact N-O 3.22Å; S32-V39 PolarHBondContact O-N 2.75Å; V39-A48 HydrophobicContact CG1-CB 4.07Å; V39-V49 VanDerWaalsContact CA-O 3.31Å; V39-V49 WeakPolarHBondContact CA-O 3.5Å; V39-M50 HydrophobicContact CG2-CB 4.45Å; V39-M50 HydrophobicContact CG2-CG 4.42Å; V39-T71 HydrophobicContact CG2-CG2 3.57Å; V39-L75 HydrophobicContact CG1-CD1 4.45Å; V39-L75 HydrophobicContact CG1-CD2 4.32Å
40	D	97.7	Very high	92.3	Very high	37 Å²	37	46 Å²	46	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.3	169.8	-62	-51.7	0	0	0	108.2	N31 K38 A48 V49 H51	N31-D40 PolarHBondContact ND2-OD1 3.45Å; N31-D40 PolarHBondContact OD1-OD1 2.88Å; K38-D40 VanDerWaalsContact CE-OD1 3.24Å; K38-D40 WeakPolarHBondContact CE-OD1 3.36Å; K38-D40 IonicContact NZ-OD1 2.7Å; K38-D40 PolarHBondContact NZ-OD1 2.96Å; K38-D40 IonicContact NZ-OD2 3.94Å; K38-D40 PolarHBondContact NZ-OD2 2.62Å; D40-A48 CarbonylContact O-C 3.45Å; D40-A48 WeakPolarHBondContact O-CA 3.37Å; D40-V49 PolarHBondContact N-O 2.87Å; D40-V49 PolarHBondContact O-N 3.19Å; D40-H51 IonicContact OD2-CD2 3.54Å; D40-H51 IonicContact OD2-NE2 3.38Å; D40-H51 PolarHBondContact OD2-NE2 2.94Å
41	H	96.8	Very high	93.4	Very high	9 Å²	9	43 Å²	43	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.3	179.3	-175.3	-163	0	0	0	110.9	R29 N30 A48 D78	R29-H41 WeakPolarHBondContact CA-O 3.49Å; N30-H41 PolarHBondContact N-O 2.87Å; N30-H41 VanDerWaalsContact N-O 3.15Å; N30-H41 WeakPolarHBondContact O-CB 3.48Å; N30-H41 PolarHBondContact O-N 3.33Å; N30-H41 VanDerWaalsContact O-N 3.12Å; H41-A48 HydrophobicContact CB-CB 4.32Å; H41-D78 IonicContact CE1-OD2 2.88Å; H41-D78 PolarHBondContact CE1-OD2 3.26Å; H41-D78 IonicContact ND1-OD2 2.92Å; H41-D78 PolarHBondContact ND1-OD2 2.81Å
42	D	96.4	Very high	94.3	Very high	39 Å²	39	38.2 Å²	38.2	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	101.9	172.2	-175.3	-39.2	0	0	0	109.8	T44 T45 G46 V47	D42-T44 PolarHBondContact O-N 2.93Å; D42-T44 WeakPolarHBondContact OD1-CA 3.33Å; D42-T44 VanDerWaalsContact OD1-CB 3.25Å; D42-T44 WeakPolarHBondContact OD1-CB 3.47Å; D42-T44 PolarHBondContact OD1-N 2.93Å; D42-T45 WeakPolarHBondContact CB-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.2Å; D42-T45 PolarHBondContact O-OG1 3.49Å; D42-T45 PolarHBondContact OD1-N 3.15Å; D42-T45 PolarHBondContact OD1-OG1 3.09Å; D42-G46 WeakPolarHBondContact O-CA 3.38Å; D42-G46 PolarHBondContact O-N 3.45Å; D42-V47 PolarHBondContact N-O 3.43Å; D42-V47 PolarHBondContact O-N 3.05Å
43	Q	93.1	Very high	95.1	Very high	74 Å²	74	37.3 Å²	37.3	35%	0.346	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.3	-179.1	-65.2	-162.8	-32.6	0	0	113.9	N30	N30-Q43 PolarHBondContact ND2-NE2 3.4Å
44	T	94.1	Very high	95.9	Very high	101 Å²	101	33.8 Å²	33.8	62%	0.62	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-39.8	178.1	-54.1	0	0	0	0	110.4	D42	D42-T44 PolarHBondContact O-N 2.93Å; D42-T44 WeakPolarHBondContact OD1-CA 3.33Å; D42-T44 VanDerWaalsContact OD1-CB 3.25Å; D42-T44 WeakPolarHBondContact OD1-CB 3.47Å; D42-T44 PolarHBondContact OD1-N 2.93Å
45	T	95.8	Very high	96.3	Very high	75 Å²	75	35.7 Å²	35.7	46%	0.46	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-19.9	177.8	64.9	0	0	0	0	113.2	D42 V47	D42-T45 WeakPolarHBondContact CB-OG1 3.5Å; D42-T45 PolarHBondContact O-N 3.2Å; D42-T45 PolarHBondContact O-OG1 3.49Å; D42-T45 PolarHBondContact OD1-N 3.15Å; D42-T45 PolarHBondContact OD1-OG1 3.09Å; T45-V47 VanDerWaalsContact C-N 3.29Å; T45-V47 PolarHBondContact OG1-N 3.07Å
46	G	96.9	Very high	96.8	Very high	4 Å²	4	35.7 Å²	35.7	4%	0.041	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	27.1	-171.8	0	0	0	0	0	113.2	D42 G80 R82 G83	D42-G46 WeakPolarHBondContact O-CA 3.38Å; D42-G46 PolarHBondContact O-N 3.45Å; G46-G80 WeakPolarHBondContact CA-O 3.44Å; G46-R82 PolarHBondContact O-N 3.06Å; G46-G83 PolarHBondContact O-N 3.05Å; G46-G83 VanDerWaalsContact O-N 3.13Å
47	V	98.6	Very high	96.9	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.2	-178.3	-178.4	0	0	0	0	110	D42 T45 G83 I85 M230 L234	D42-V47 PolarHBondContact N-O 3.43Å; D42-V47 PolarHBondContact O-N 3.05Å; T45-V47 VanDerWaalsContact C-N 3.29Å; T45-V47 PolarHBondContact OG1-N 3.07Å; V47-G83 WeakPolarHBondContact CA-O 3.39Å; V47-I85 HydrophobicContact CG1-CD1 4.08Å; V47-I85 HydrophobicContact CG1-CG1 4.31Å; V47-M230 HydrophobicContact CG1-CG 4.11Å; V47-M230 HydrophobicContact CG2-CG 3.59Å; V47-L234 HydrophobicContact CG2-CD1 3.56Å
48	A	98.7	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.5	168.8	0	0	0	0	0	110.9	V39 D40 H41 L75 G83 L84 I85	V39-A48 HydrophobicContact CG1-CB 4.07Å; D40-A48 CarbonylContact O-C 3.45Å; D40-A48 WeakPolarHBondContact O-CA 3.37Å; H41-A48 HydrophobicContact CB-CB 4.32Å; A48-L75 HydrophobicContact CB-CD1 4Å; A48-L75 HydrophobicContact CB-CD2 3.83Å; A48-G83 PolarHBondContact N-O 3.01Å; A48-L84 HydrophobicContact CB-CD1 4.28Å; A48-L84 CarbonylContact O-C 3.57Å; A48-L84 WeakPolarHBondContact O-CA 3.43Å; A48-I85 PolarHBondContact O-N 2.93Å
49	V	98.8	Very high	97.1	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.121	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.4	168.7	-171.3	0	0	0	0	108.5	V39 D40 H51 I85 T87 L223	V39-V49 VanDerWaalsContact CA-O 3.31Å; V39-V49 WeakPolarHBondContact CA-O 3.5Å; D40-V49 PolarHBondContact N-O 2.87Å; D40-V49 PolarHBondContact O-N 3.19Å; V49-H51 VanDerWaalsContact CG1-NE2 3.31Å; V49-H51 WeakPolarHBondContact CG1-NE2 3.37Å; V49-I85 CarbonylContact C-O 3.56Å; V49-I85 WeakPolarHBondContact CA-O 3.5Å; V49-I85 HydrophobicContact CG1-CB 4.39Å; V49-I85 HydrophobicContact CG1-CG2 4.44Å; V49-I85 HydrophobicContact CG2-CB 4.38Å; V49-I85 HydrophobicContact CG2-CD1 4.44Å; V49-T87 HydrophobicContact CG1-CG2 4.07Å; V49-L223 HydrophobicContact CG1-CD1 3.87Å
50	M	98.8	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.7	174.3	179.4	-168.4	-69.6	0	0	109.4	L37 V39 T71 L72 L84 I85 I86 T87	L37-M50 HydrophobicContact CD1-SD 4.39Å; L37-M50 HydrophobicContact CD2-CG 3.9Å; L37-M50 HydrophobicContact CD2-SD 4.17Å; V39-M50 HydrophobicContact CG2-CB 4.45Å; V39-M50 HydrophobicContact CG2-CG 4.42Å; M50-T71 HydrophobicContact CE-CG2 3.5Å; M50-T71 VanDerWaalsContact CE-CG2 3.5Å; M50-L72 HydrophobicContact CE-CD2 4.22Å; M50-L72 HydrophobicContact CE-CG 4.38Å; M50-L84 HydrophobicContact CB-CD1 3.7Å; M50-L84 HydrophobicContact CE-CD1 4.41Å; M50-L84 HydrophobicContact CE-CD2 4.22Å; M50-I85 PolarHBondContact N-O 3.05Å; M50-I86 HydrophobicContact SD-CG1 4.46Å; M50-T87 PolarHBondContact O-N 2.92Å
51	H	98.6	Very high	97.1	Very high	28 Å²	28	33.2 Å²	33.2	13%	0.13	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.8	174.6	-65.8	-91.6	0	0	0	110.1	L37 K38 D40 V49 T87	L37-H51 WeakPolarHBondContact CA-O 3.49Å; K38-H51 HydrophobicContact CB-CB 4.19Å; K38-H51 PolarHBondContact N-O 3.41Å; K38-H51 PolarHBondContact O-N 3.22Å; D40-H51 IonicContact OD2-CD2 3.54Å; D40-H51 IonicContact OD2-NE2 3.38Å; D40-H51 PolarHBondContact OD2-NE2 2.94Å; V49-H51 VanDerWaalsContact CG1-NE2 3.31Å; V49-H51 WeakPolarHBondContact CG1-NE2 3.37Å; H51-T87 WeakPolarHBondContact CA-O 3.46Å; H51-T87 WeakPolarHBondContact ND1-CG2 3.39Å
52	M	98.6	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.3	170.7	-64.1	-172.6	-68.1	0	0	110.4	L37 N58 F64 I86 T87 S89 F94 M147	L37-M52 HydrophobicContact CD2-CG 4.12Å; M52-N58 HydrophobicContact CB-CB 4.42Å; M52-N58 WeakPolarHBondContact CB-ND2 3.42Å; M52-N58 PolarHBondContact O-ND2 2.76Å; M52-N58 PolarHBondContact O-OD1 3.48Å; M52-F64 HydrophobicContact CB-CZ 3.89Å; M52-F64 HydrophobicContact CG-CZ 3.87Å; M52-F64 HydrophobicContact SD-CE1 4.44Å; M52-F64 HydrophobicContact SD-CZ 4.19Å; M52-I86 HydrophobicContact CE-CG2 4.03Å; M52-I86 HydrophobicContact CG-CG2 4.33Å; M52-I86 HydrophobicContact SD-CG2 4.22Å; M52-T87 PolarHBondContact N-O 2.72Å; M52-S89 PolarHBondContact O-N 2.85Å; M52-F94 HydrophobicContact CE-CD1 3.91Å; M52-F94 HydrophobicContact CE-CD2 3.74Å; M52-F94 HydrophobicContact CE-CE1 3.68Å; M52-F94 HydrophobicContact CE-CE2 3.5Å; M52-F94 VanDerWaalsContact CE-CE2 3.5Å; M52-F94 HydrophobicContact CE-CG 3.95Å; M52-F94 HydrophobicContact CE-CZ 3.46Å; M52-F94 VanDerWaalsContact CE-CZ 3.46Å; M52-F94 VanDerWaalsContact CE-O 3.22Å; M52-F94 WeakPolarHBondContact CE-O 3.37Å; M52-M147 HydrophobicContact CE-SD 4.18Å; M52-M147 HydrophobicContact SD-CE 4.27Å; M52-M147 HydrophobicContact SD-SD 3.64Å; M52-M147 VanDerWaalsContact SD-SD 3.64Å
53	Q	97.5	Very high	97.2	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.243	22%	0.218	C	C	.	.			trans	-137.3	31.2	-174.6	64.6	-179.3	22.8	0	0	112.9	S34 N36 P55 N58 Q90	S34-Q53 PolarHBondContact O-NE2 2.82Å; N36-Q53 VanDerWaalsContact C-CG 3.47Å; N36-Q53 CarbonylContact O-C 3.52Å; N36-Q53 WeakPolarHBondContact O-CA 3.49Å; N36-Q53 VanDerWaalsContact O-CG 3.28Å; N36-Q53 WeakPolarHBondContact O-CG 3.39Å; N36-Q53 PolarHBondContact O-N 3.27Å; Q53-P55 WeakPolarHBondContact O-CD 3.48Å; Q53-N58 PolarHBondContact N-OD1 3.46Å; Q53-Q90 VanDerWaalsContact C-NE2 3.28Å; Q53-Q90 PolarHBondContact O-NE2 3.49Å; Q53-Q90 VanDerWaalsContact O-NE2 3.16Å
54	S	97	Very high	97.4	Very high	13 Å²	13	33.6 Å²	33.6	9%	0.091	20%	0.202	C	C	.	.			trans	-79.8	105.1	172.8	-162.6	0	0	0	0	111	N36 N58	N36-S54 PolarHBondContact O-N 3.43Å; N36-S54 WeakPolarHBondContact OD1-CB 3.47Å; N36-S54 PolarHBondContact OD1-OG 2.91Å; S54-N58 PolarHBondContact N-OD1 2.83Å; S54-N58 VanDerWaalsContact O-CA 3.24Å; S54-N58 WeakPolarHBondContact O-CA 3.48Å; S54-N58 PolarHBondContact O-N 2.97Å; S54-N58 PolarHBondContact O-OD1 2.88Å; S54-N58 VanDerWaalsContact O-OD1 3.1Å
55	P	94.9	Very high	97.6	Very high	92 Å²	92	28.8 Å²	28.8	60%	0.597	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	155.2	-175.6	31.5	-35.5	0	0	0	111.9	Q53	Q53-P55 WeakPolarHBondContact O-CD 3.48Å
56	P	95.1	Very high	97.7	Very high	83 Å²	83	28.1 Å²	28.1	54%	0.539	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.5	-12	-3.1	32.4	-32.6	0	0	0	113.9
57	V	96.9	Very high	97.7	Very high	42 Å²	42	29.4 Å²	29.4	26%	0.255	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	17.9	-164.8	-63.6	0	0	0	0	114.9	S59 V93 A96	V57-S59 VanDerWaalsContact C-N 3.25Å; V57-S59 WeakPolarHBondContact CG2-OG 3.42Å; V57-S59 PolarHBondContact O-N 3.27Å; V57-V93 HydrophobicContact CB-CG1 4.04Å; V57-V93 HydrophobicContact CB-CG2 4.22Å; V57-V93 HydrophobicContact CG1-CG1 4.24Å; V57-V93 WeakPolarHBondContact O-CG2 3.49Å; V57-A96 HydrophobicContact CB-CB 3.86Å; V57-A96 HydrophobicContact CG2-CB 3.53Å; V57-A96 PolarHBondContact O-N 3.28Å
58	N	98.4	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.			trans	50.8	45.5	-174	-63.5	-32.6	0	0	0	112.2	M52 Q53 S54 L60 F64 S88 Q90 F94 S95	M52-N58 HydrophobicContact CB-CB 4.42Å; M52-N58 WeakPolarHBondContact CB-ND2 3.42Å; M52-N58 PolarHBondContact O-ND2 2.76Å; M52-N58 PolarHBondContact O-OD1 3.48Å; Q53-N58 PolarHBondContact N-OD1 3.46Å; S54-N58 PolarHBondContact N-OD1 2.83Å; S54-N58 VanDerWaalsContact O-CA 3.24Å; S54-N58 WeakPolarHBondContact O-CA 3.48Å; S54-N58 PolarHBondContact O-N 2.97Å; S54-N58 PolarHBondContact O-OD1 2.88Å; S54-N58 VanDerWaalsContact O-OD1 3.1Å; N58-L60 PolarHBondContact O-N 2.9Å; N58-F64 HydrophobicContact CB-CE1 4.14Å; N58-S88 PolarHBondContact ND2-OG 2.79Å; N58-Q90 VanDerWaalsContact OD1-CG 3.26Å; N58-Q90 WeakPolarHBondContact OD1-CG 3.5Å; N58-F94 WeakPolarHBondContact CB-O 3.38Å; N58-F94 PolarHBondContact ND2-O 3.47Å; N58-S95 WeakPolarHBondContact O-CB 3.4Å; N58-S95 PolarHBondContact O-OG 3.43Å
59	S	97.6	Very high	97.7	Very high	29 Å²	29	29.4 Å²	29.4	20%	0.203	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	131	170.1	-64.8	0	0	0	0	109	V57 S61 F64 G97	V57-S59 VanDerWaalsContact C-N 3.25Å; V57-S59 WeakPolarHBondContact CG2-OG 3.42Å; V57-S59 PolarHBondContact O-N 3.27Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.22Å; S59-F64 WeakPolarHBondContact O-CD1 3.44Å; S59-G97 WeakPolarHBondContact CA-O 3.28Å
60	L	98.3	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	79.8	-178.7	-57	174	0	0	0	109.1	N58 F64 L65 I68 G97 L98 D99 F114 M121 M147	N58-L60 PolarHBondContact O-N 2.9Å; L60-F64 HydrophobicContact CD2-CD1 3.88Å; L60-F64 HydrophobicContact CD2-CE1 3.9Å; L60-L65 HydrophobicContact CB-CD1 4.37Å; L60-L65 HydrophobicContact CB-CD2 4.03Å; L60-L65 HydrophobicContact CB-CG 4.04Å; L60-L65 HydrophobicContact CD1-CD2 4.45Å; L60-L65 HydrophobicContact CD2-CD2 4.41Å; L60-I68 HydrophobicContact CD2-CD1 4.06Å; L60-G97 PolarHBondContact N-O 3.26Å; L60-L98 HydrophobicContact CB-CD2 4.16Å; L60-L98 HydrophobicContact CD1-CD2 4.12Å; L60-D99 PolarHBondContact O-N 3.46Å; L60-D99 VanDerWaalsContact O-N 3.12Å; L60-F114 VanDerWaalsContact O-CE2 3.29Å; L60-F114 WeakPolarHBondContact O-CE2 3.43Å; L60-M121 HydrophobicContact CD1-CE 4.46Å; L60-M147 HydrophobicContact CD1-CE 4.29Å; L60-M147 HydrophobicContact CD2-CE 3.67Å
61	S	98.1	Very high	97.6	Very high	20 Å²	20	32.6 Å²	32.6	14%	0.14	19%	0.189	C	C	.	.			trans	-72.8	167.9	168.5	67.5	0	0	0	0	111	S59 D63 F64 L65	S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.22Å; S61-D63 VanDerWaalsContact C-N 3.3Å; S61-D63 PolarHBondContact O-N 3.34Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 WeakPolarHBondContact OG-CB 3.41Å; S61-F64 PolarHBondContact OG-N 2.66Å; S61-L65 WeakPolarHBondContact O-CB 3.38Å; S61-L65 WeakPolarHBondContact O-CD1 3.36Å; S61-L65 VanDerWaalsContact O-CG 3.28Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 3.02Å
62	L	97.9	Very high	97.6	Very high	20 Å²	20	31.3 Å²	31.3	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-44.7	177.3	175.5	61.7	0	0	0	111.6	F64 L65 T66 E102 E113 F114 A117	L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.26Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 PolarHBondContact O-N 3.47Å; L62-T66 PolarHBondContact O-OG1 3.3Å; L62-E102 WeakPolarHBondContact CB-OE1 3.45Å; L62-E102 PolarHBondContact N-OE1 2.87Å; L62-E113 HydrophobicContact CD2-CB 4.39Å; L62-F114 HydrophobicContact CB-CD2 4.29Å; L62-A117 HydrophobicContact CD1-CB 3.35Å
63	D	96.6	Very high	97.5	Very high	110 Å²	110	35.3 Å²	35.3	59%	0.588	20%	0.202	S	C	*	.	H	α-helix	trans	-63.1	-43.9	-178.5	-67	-9.7	0	0	0	110.5	S61 T66 E67	S61-D63 VanDerWaalsContact C-N 3.3Å; S61-D63 PolarHBondContact O-N 3.34Å; D63-T66 PolarHBondContact O-N 3.27Å; D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 2.77Å
64	F	98.2	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-41.1	180	-172.5	-144.9	0	0	0	112.3	N36 L37 M52 N58 S59 L60 S61 L62 T66 E67 I68	N36-F64 HydrophobicContact CB-CD2 3.39Å; N36-F64 HydrophobicContact CB-CE2 3.62Å; N36-F64 HydrophobicContact CB-CG 4.28Å; N36-F64 WeakPolarHBondContact O-CE2 3.5Å; L37-F64 HydrophobicContact CD2-CE2 3.46Å; L37-F64 VanDerWaalsContact CD2-CE2 3.46Å; L37-F64 HydrophobicContact CD2-CZ 3.96Å; L37-F64 HydrophobicContact CG-CD2 4.44Å; L37-F64 HydrophobicContact CG-CE2 3.74Å; M52-F64 HydrophobicContact CB-CZ 3.89Å; M52-F64 HydrophobicContact CG-CZ 3.87Å; M52-F64 HydrophobicContact SD-CE1 4.44Å; M52-F64 HydrophobicContact SD-CZ 4.19Å; N58-F64 HydrophobicContact CB-CE1 4.14Å; S59-F64 WeakPolarHBondContact O-CD1 3.44Å; L60-F64 HydrophobicContact CD2-CD1 3.88Å; L60-F64 HydrophobicContact CD2-CE1 3.9Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-F64 WeakPolarHBondContact OG-CB 3.41Å; S61-F64 PolarHBondContact OG-N 2.66Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.26Å; F64-T66 VanDerWaalsContact C-N 3.3Å; F64-T66 PolarHBondContact O-N 3.1Å; F64-E67 WeakPolarHBondContact O-CB 3.29Å; F64-E67 PolarHBondContact O-N 3.12Å; F64-I68 HydrophobicContact CD1-CD1 4.24Å; F64-I68 HydrophobicContact CD2-CD1 4.23Å; F64-I68 HydrophobicContact CD2-CG1 4.31Å; F64-I68 HydrophobicContact CE1-CD1 4.06Å; F64-I68 HydrophobicContact CE2-CD1 4.09Å; F64-I68 HydrophobicContact CE2-CG1 4.14Å; F64-I68 HydrophobicContact CG-CD1 4.31Å; F64-I68 HydrophobicContact CZ-CD1 3.98Å; F64-I68 HydrophobicContact CZ-CG1 4.45Å; F64-I68 VanDerWaalsContact O-CG1 3.3Å; F64-I68 WeakPolarHBondContact O-CG1 3.43Å; F64-I68 PolarHBondContact O-N 3.35Å
65	L	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-41.4	173.4	-74.8	164.6	0	0	0	111.9	L60 S61 L62 I68 C69 F114 A117 V118 M121	L60-L65 HydrophobicContact CB-CD1 4.37Å; L60-L65 HydrophobicContact CB-CD2 4.03Å; L60-L65 HydrophobicContact CB-CG 4.04Å; L60-L65 HydrophobicContact CD1-CD2 4.45Å; L60-L65 HydrophobicContact CD2-CD2 4.41Å; S61-L65 WeakPolarHBondContact O-CB 3.38Å; S61-L65 WeakPolarHBondContact O-CD1 3.36Å; S61-L65 VanDerWaalsContact O-CG 3.28Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 3.41Å; L65-I68 PolarHBondContact O-N 3.33Å; L65-C69 PolarHBondContact O-N 3.29Å; L65-C69 PolarHBondContact O-SG 3.49Å; L65-F114 HydrophobicContact CD1-CD2 4.1Å; L65-F114 HydrophobicContact CD1-CE2 3.59Å; L65-F114 HydrophobicContact CD1-CZ 4.36Å; L65-A117 HydrophobicContact CB-CB 4.11Å; L65-A117 HydrophobicContact CD1-CB 4.36Å; L65-V118 HydrophobicContact CD1-CB 4.47Å; L65-V118 HydrophobicContact CD1-CG2 3.43Å; L65-V118 VanDerWaalsContact CD1-CG2 3.43Å; L65-M121 HydrophobicContact CD2-CB 3.94Å; L65-M121 HydrophobicContact CD2-CE 4.02Å; L65-M121 HydrophobicContact CD2-CG 4.08Å
66	T	97.5	Very high	97.7	Very high	60 Å²	60	38.8 Å²	38.8	37%	0.368	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-43.3	177.9	-56.9	0	0	0	0	110.9	L62 D63 F64 I68 C69 I70	L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 PolarHBondContact O-N 3.47Å; L62-T66 PolarHBondContact O-OG1 3.3Å; D63-T66 PolarHBondContact O-N 3.27Å; F64-T66 VanDerWaalsContact C-N 3.3Å; F64-T66 PolarHBondContact O-N 3.1Å; T66-I68 VanDerWaalsContact C-N 3.35Å; T66-I68 PolarHBondContact O-N 3.08Å; T66-C69 PolarHBondContact O-N 3.32Å; T66-I70 HydrophobicContact CG2-CD1 3.93Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.33Å
67	E	97.4	Very high	97.7	Very high	31 Å²	31	42.5 Å²	42.5	15%	0.145	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-42.8	175.8	-160.4	-179.5	141.8	0	0	111.7	S34 N36 L37 D63 F64 T71	S34-E67 WeakPolarHBondContact CB-OE1 3.38Å; S34-E67 VanDerWaalsContact OG-CD 3.27Å; S34-E67 PolarHBondContact OG-OE1 3.19Å; N36-E67 WeakPolarHBondContact CB-OE2 3.31Å; N36-E67 PolarHBondContact N-OE1 3Å; N36-E67 VanDerWaalsContact N-OE1 3.14Å; N36-E67 PolarHBondContact ND2-OE2 3.4Å; L37-E67 WeakPolarHBondContact CB-OE1 3.31Å; L37-E67 HydrophobicContact CD1-CB 4.31Å; L37-E67 HydrophobicContact CD1-CG 3.97Å; L37-E67 HydrophobicContact CG-CG 4.3Å; L37-E67 PolarHBondContact N-OE1 2.85Å; D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 2.77Å; F64-E67 WeakPolarHBondContact O-CB 3.29Å; F64-E67 PolarHBondContact O-N 3.12Å; E67-T71 WeakPolarHBondContact O-CB 3.44Å; E67-T71 PolarHBondContact O-N 3.38Å; E67-T71 PolarHBondContact O-OG1 3Å
68	I	98.4	Very high	97.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-48.8	173.7	-68.8	164.6	0	0	0	110.4	L37 L60 F64 L65 T66 I70 T71 L72 M121 M147	L37-I68 HydrophobicContact CD1-CB 4.46Å; L37-I68 HydrophobicContact CD1-CG1 3.86Å; L37-I68 HydrophobicContact CD2-CG1 4.27Å; L60-I68 HydrophobicContact CD2-CD1 4.06Å; F64-I68 HydrophobicContact CD1-CD1 4.24Å; F64-I68 HydrophobicContact CD2-CD1 4.23Å; F64-I68 HydrophobicContact CD2-CG1 4.31Å; F64-I68 HydrophobicContact CE1-CD1 4.06Å; F64-I68 HydrophobicContact CE2-CD1 4.09Å; F64-I68 HydrophobicContact CE2-CG1 4.14Å; F64-I68 HydrophobicContact CG-CD1 4.31Å; F64-I68 HydrophobicContact CZ-CD1 3.98Å; F64-I68 HydrophobicContact CZ-CG1 4.45Å; F64-I68 VanDerWaalsContact O-CG1 3.3Å; F64-I68 WeakPolarHBondContact O-CG1 3.43Å; F64-I68 PolarHBondContact O-N 3.35Å; L65-I68 PolarHBondContact O-N 3.33Å; T66-I68 VanDerWaalsContact C-N 3.35Å; T66-I68 PolarHBondContact O-N 3.08Å; I68-I70 PolarHBondContact O-N 3.37Å; I68-T71 PolarHBondContact O-N 2.7Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.25Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 2.9Å; I68-M121 HydrophobicContact CG2-CG 3.94Å; I68-M147 HydrophobicContact CD1-CE 3.8Å
69	C	98.4	Very high	97.4	Very high	12 Å²	12	53 Å²	53	8%	0.081	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-47.1	-178.9	-70.2	0	0	0	0	112.3	L65 T66 T71 L72 E73 M121 K124	L65-C69 PolarHBondContact O-N 3.29Å; L65-C69 PolarHBondContact O-SG 3.49Å; T66-C69 PolarHBondContact O-N 3.32Å; C69-T71 VanDerWaalsContact C-N 3.27Å; C69-T71 PolarHBondContact O-N 2.85Å; C69-L72 PolarHBondContact O-N 2.89Å; C69-E73 WeakPolarHBondContact O-CG 3.48Å; C69-E73 PolarHBondContact O-N 2.8Å; C69-M121 VanDerWaalsContact SG-CA 3.57Å; C69-M121 PolarHBondContact SG-N 3.46Å; C69-K124 HydrophobicContact CB-CD 3.94Å
70	I	97.8	Very high	97.3	Very high	75 Å²	75	53 Å²	53	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-40.3	177.1	-69.2	167.5	0	0	0	110.5	T66 I68 E73 K74	T66-I70 HydrophobicContact CG2-CD1 3.93Å; T66-I70 WeakPolarHBondContact O-CG1 3.47Å; T66-I70 PolarHBondContact O-N 3.33Å; I68-I70 PolarHBondContact O-N 3.37Å; I70-E73 PolarHBondContact O-N 3.25Å; I70-K74 HydrophobicContact CG2-CD 4.12Å; I70-K74 VanDerWaalsContact O-CG 3.31Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 2.88Å
71	T	97.9	Very high	97.3	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-43.5	179.3	-57.8	0	0	0	0	111.7	V39 M50 E67 I68 C69 E73 K74 L75	V39-T71 HydrophobicContact CG2-CG2 3.57Å; M50-T71 HydrophobicContact CE-CG2 3.5Å; M50-T71 VanDerWaalsContact CE-CG2 3.5Å; E67-T71 WeakPolarHBondContact O-CB 3.44Å; E67-T71 PolarHBondContact O-N 3.38Å; E67-T71 PolarHBondContact O-OG1 3Å; I68-T71 PolarHBondContact O-N 2.7Å; C69-T71 VanDerWaalsContact C-N 3.27Å; C69-T71 PolarHBondContact O-N 2.85Å; T71-E73 PolarHBondContact O-N 2.83Å; T71-K74 PolarHBondContact O-N 3.32Å; T71-L75 HydrophobicContact CG2-CD1 4.18Å; T71-L75 WeakPolarHBondContact O-CG 3.31Å; T71-L75 PolarHBondContact O-N 2.96Å
72	L	98.3	Very high	97.3	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174.7	-72.5	171.6	0	0	0	111	M50 I68 C69 K74 L75 E76 L84 K124 L125	M50-L72 HydrophobicContact CE-CD2 4.22Å; M50-L72 HydrophobicContact CE-CG 4.38Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.25Å; I68-L72 WeakPolarHBondContact O-CG 3.42Å; I68-L72 PolarHBondContact O-N 2.9Å; C69-L72 PolarHBondContact O-N 2.89Å; L72-K74 PolarHBondContact O-N 3.29Å; L72-L75 PolarHBondContact O-N 3.33Å; L72-E76 WeakPolarHBondContact O-CG 3.42Å; L72-E76 PolarHBondContact O-N 2.86Å; L72-L84 HydrophobicContact CD2-CD2 3.4Å; L72-L84 VanDerWaalsContact CD2-CD2 3.4Å; L72-K124 HydrophobicContact CD1-CB 4.01Å; L72-L125 HydrophobicContact CD1-CB 4.17Å; L72-L125 HydrophobicContact CD2-CD1 4.09Å
73	E	97.7	Very high	97.3	Very high	84 Å²	84	55.4 Å²	55.4	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-45.7	177.2	-73.5	176.1	173.6	0	0	112.3	C69 I70 T71 L75 E76 M77 K124	C69-E73 WeakPolarHBondContact O-CG 3.48Å; C69-E73 PolarHBondContact O-N 2.8Å; I70-E73 PolarHBondContact O-N 3.25Å; T71-E73 PolarHBondContact O-N 2.83Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.15Å; E73-E76 PolarHBondContact O-N 3.17Å; E73-M77 VanDerWaalsContact O-CG 3.32Å; E73-M77 WeakPolarHBondContact O-CG 3.41Å; E73-M77 PolarHBondContact O-N 3.02Å; E73-K124 HydrophobicContact CG-CD 4.12Å; E73-K124 WeakPolarHBondContact OE1-CE 3.46Å; E73-K124 IonicContact OE1-NZ 3.51Å; E73-K124 PolarHBondContact OE1-NZ 3.07Å
74	K	97.6	Very high	97.4	Very high	142 Å²	142	50.1 Å²	50.1	62%	0.617	25%	0.247	S	C	*	.	H	α-helix	trans	-59.9	-44	177.9	-75.9	173.7	179.7	176	0	111.9	I70 T71 L72 M77 D78	I70-K74 HydrophobicContact CG2-CD 4.12Å; I70-K74 VanDerWaalsContact O-CG 3.31Å; I70-K74 WeakPolarHBondContact O-CG 3.4Å; I70-K74 PolarHBondContact O-N 2.88Å; T71-K74 PolarHBondContact O-N 3.32Å; L72-K74 PolarHBondContact O-N 3.29Å; K74-M77 PolarHBondContact O-N 2.93Å; K74-D78 PolarHBondContact O-N 2.83Å; K74-D78 VanDerWaalsContact O-N 3.13Å
75	L	97.8	Very high	97.4	Very high	13 Å²	13	50.1 Å²	50.1	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-37.4	178.2	-68.8	175.8	0	0	0	111.9	V39 A48 T71 L72 E73 M77 D78 C81 L84 M130	V39-L75 HydrophobicContact CG1-CD1 4.45Å; V39-L75 HydrophobicContact CG1-CD2 4.32Å; A48-L75 HydrophobicContact CB-CD1 4Å; A48-L75 HydrophobicContact CB-CD2 3.83Å; T71-L75 HydrophobicContact CG2-CD1 4.18Å; T71-L75 WeakPolarHBondContact O-CG 3.31Å; T71-L75 PolarHBondContact O-N 2.96Å; L72-L75 PolarHBondContact O-N 3.33Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 3.15Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 3.04Å; L75-D78 PolarHBondContact O-N 3.33Å; L75-C81 HydrophobicContact CD2-CB 4.45Å; L75-C81 WeakPolarHBondContact O-CB 3.25Å; L75-L84 HydrophobicContact CD1-CD1 3.89Å; L75-L84 HydrophobicContact CD1-CD2 4.47Å; L75-M130 HydrophobicContact CB-CE 3.95Å; L75-M130 HydrophobicContact CB-SD 3.88Å
76	E	96.4	Very high	97.5	Very high	75 Å²	75	50.2 Å²	50.2	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-66.7	-32.1	174.8	-75.4	-168.9	145.3	0	0	113.4	L72 E73 S128 M130	L72-E76 WeakPolarHBondContact O-CG 3.42Å; L72-E76 PolarHBondContact O-N 2.86Å; E73-E76 PolarHBondContact O-N 3.17Å; E76-S128 WeakPolarHBondContact OE1-CA 3.42Å; E76-S128 WeakPolarHBondContact OE1-CB 3.34Å; E76-S128 PolarHBondContact OE1-OG 3.08Å; E76-M130 HydrophobicContact CG-CE 3.84Å
77	M	96.5	Very high	97.5	Very high	161 Å²	161	47.7 Å²	47.7	79%	0.793	23%	0.232	S	C	*	.	H	α-helix	trans	-79	-21.8	176.8	-70.6	-179.5	67	0	0	113.1	E73 K74 L75 K79	E73-M77 VanDerWaalsContact O-CG 3.32Å; E73-M77 WeakPolarHBondContact O-CG 3.41Å; E73-M77 PolarHBondContact O-N 3.02Å; K74-M77 PolarHBondContact O-N 2.93Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 3.04Å; M77-K79 PolarHBondContact O-N 3.44Å
78	D	96.5	Very high	97.6	Very high	55 Å²	55	46.4 Å²	46.4	29%	0.294	23%	0.226	S	C	.	.			trans	-76.9	105.2	175.3	-173.6	-10.4	0	0	0	110.1	H41 K74 L75 G80 C81	H41-D78 IonicContact CE1-OD2 2.88Å; H41-D78 PolarHBondContact CE1-OD2 3.26Å; H41-D78 IonicContact ND1-OD2 2.92Å; H41-D78 PolarHBondContact ND1-OD2 2.81Å; K74-D78 PolarHBondContact O-N 2.83Å; K74-D78 VanDerWaalsContact O-N 3.13Å; L75-D78 PolarHBondContact O-N 3.33Å; D78-G80 PolarHBondContact O-N 3.33Å; D78-G80 PolarHBondContact OD1-N 2.82Å; D78-C81 HydrophobicContact CB-CB 4.16Å; D78-C81 PolarHBondContact O-N 3.33Å
79	K	92.3	Very high	97.6	Very high	206 Å²	206	49.1 Å²	49.1	90%	0.896	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.1	178.3	-64.5	-177	179.2	179.1	0	113.8	M77	M77-K79 PolarHBondContact O-N 3.44Å
80	G	94.7	Very high	97.5	Very high	31 Å²	31	49.9 Å²	49.9	32%	0.32	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.5	173	0	0	0	0	0	113.4	G46 D78	G46-G80 WeakPolarHBondContact CA-O 3.44Å; D78-G80 PolarHBondContact O-N 3.33Å; D78-G80 PolarHBondContact OD1-N 2.82Å
81	C	97.9	Very high	97.2	Very high	9 Å²	9	51 Å²	51	6%	0.061	26%	0.26	C	S	.	.			trans	-91.3	117.7	-177.9	-173.1	0	0	0	0	111.1	L75 D78 M130	L75-C81 HydrophobicContact CD2-CB 4.45Å; L75-C81 WeakPolarHBondContact O-CB 3.25Å; D78-C81 HydrophobicContact CB-CB 4.16Å; D78-C81 PolarHBondContact O-N 3.33Å; C81-M130 PolarHBondContact SG-SD 3.22Å
82	R	98.1	Very high	97.1	Very high	80 Å²	80	56.9 Å²	56.9	30%	0.302	28%	0.284	S	S	.	.			trans	-118.2	-20	-178.1	-67.1	171.9	34.3	175.8	-5.1	113.2	G46 M130 V131 L234	G46-R82 PolarHBondContact O-N 3.06Å; R82-M130 WeakPolarHBondContact O-CA 3.25Å; R82-V131 PolarHBondContact O-N 2.8Å; R82-L234 HydrophobicContact CB-CD2 3.86Å; R82-L234 PolarHBondContact NH2-O 3.24Å
83	G	98.7	Very high	97.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143	-177.9	0	0	0	0	0	112	G46 V47 A48 V131	G46-G83 PolarHBondContact O-N 3.05Å; G46-G83 VanDerWaalsContact O-N 3.13Å; V47-G83 WeakPolarHBondContact CA-O 3.39Å; A48-G83 PolarHBondContact N-O 3.01Å; G83-V131 CarbonylContact C-O 3.59Å; G83-V131 VanDerWaalsContact CA-O 3.31Å; G83-V131 WeakPolarHBondContact CA-O 3.44Å
84	L	98.9	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.5	177.4	172.8	61.1	0	0	0	109.7	A48 M50 L72 L75 I86 M130 V131 T132 I133	A48-L84 HydrophobicContact CB-CD1 4.28Å; A48-L84 CarbonylContact O-C 3.57Å; A48-L84 WeakPolarHBondContact O-CA 3.43Å; M50-L84 HydrophobicContact CB-CD1 3.7Å; M50-L84 HydrophobicContact CE-CD1 4.41Å; M50-L84 HydrophobicContact CE-CD2 4.22Å; L72-L84 HydrophobicContact CD2-CD2 3.4Å; L72-L84 VanDerWaalsContact CD2-CD2 3.4Å; L75-L84 HydrophobicContact CD1-CD1 3.89Å; L75-L84 HydrophobicContact CD1-CD2 4.47Å; L84-I86 HydrophobicContact CD1-CG1 4.4Å; L84-I86 HydrophobicContact CD2-CD1 4.14Å; L84-I86 HydrophobicContact CD2-CG1 4.03Å; L84-I86 HydrophobicContact CG-CG1 3.93Å; L84-M130 HydrophobicContact CB-CE 4.22Å; L84-M130 HydrophobicContact CB-SD 4.36Å; L84-M130 HydrophobicContact CD2-CE 4.15Å; L84-V131 PolarHBondContact N-O 3.19Å; L84-T132 HydrophobicContact CB-CG2 4.3Å; L84-T132 HydrophobicContact CD2-CG2 4.49Å; L84-T132 CarbonylContact O-C 3.55Å; L84-T132 WeakPolarHBondContact O-CA 3.24Å; L84-I133 PolarHBondContact O-N 3.05Å
85	I	98.9	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.2	166.6	-59.9	170.5	0	0	0	107.7	V47 A48 V49 M50 I133 A135 L223 A226 M230	V47-I85 HydrophobicContact CG1-CD1 4.08Å; V47-I85 HydrophobicContact CG1-CG1 4.31Å; A48-I85 PolarHBondContact O-N 2.93Å; V49-I85 CarbonylContact C-O 3.56Å; V49-I85 WeakPolarHBondContact CA-O 3.5Å; V49-I85 HydrophobicContact CG1-CB 4.39Å; V49-I85 HydrophobicContact CG1-CG2 4.44Å; V49-I85 HydrophobicContact CG2-CB 4.38Å; V49-I85 HydrophobicContact CG2-CD1 4.44Å; M50-I85 PolarHBondContact N-O 3.05Å; I85-I133 CarbonylContact C-O 3.59Å; I85-I133 WeakPolarHBondContact CA-O 3.46Å; I85-I133 HydrophobicContact CG1-CB 4.39Å; I85-A135 HydrophobicContact CG2-CB 3.77Å; I85-L223 HydrophobicContact CG2-CD1 3.92Å; I85-A226 HydrophobicContact CD1-CB 4.02Å; I85-A226 HydrophobicContact CG1-CB 4.36Å; I85-A226 HydrophobicContact CG2-CB 3.89Å; I85-M230 HydrophobicContact CG1-CE 3.82Å
86	I	98.9	Very high	97.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.8	174.8	-54.4	177.2	0	0	0	108	M50 M52 L84 F94 L125 I133 A135 M147	M50-I86 HydrophobicContact SD-CG1 4.46Å; M52-I86 HydrophobicContact CE-CG2 4.03Å; M52-I86 HydrophobicContact CG-CG2 4.33Å; M52-I86 HydrophobicContact SD-CG2 4.22Å; L84-I86 HydrophobicContact CD1-CG1 4.4Å; L84-I86 HydrophobicContact CD2-CD1 4.14Å; L84-I86 HydrophobicContact CD2-CG1 4.03Å; L84-I86 HydrophobicContact CG-CG1 3.93Å; I86-F94 HydrophobicContact CB-CZ 4.48Å; I86-F94 HydrophobicContact CG2-CE2 4.2Å; I86-F94 HydrophobicContact CG2-CZ 3.88Å; I86-L125 HydrophobicContact CD1-CD1 3.75Å; I86-L125 HydrophobicContact CD1-CD2 4.08Å; I86-I133 PolarHBondContact N-O 3.28Å; I86-A135 PolarHBondContact O-N 2.82Å; I86-M147 HydrophobicContact CG2-SD 4.22Å
87	T	98.9	Very high	97.2	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	173.1	178.1	-167.2	0	0	0	0	110.5	V49 M50 H51 M52 A135	V49-T87 HydrophobicContact CG1-CG2 4.07Å; M50-T87 PolarHBondContact O-N 2.92Å; H51-T87 WeakPolarHBondContact CA-O 3.46Å; H51-T87 WeakPolarHBondContact ND1-CG2 3.39Å; M52-T87 PolarHBondContact N-O 2.72Å; T87-A135 PolarHBondContact OG1-O 2.9Å
88	S	98.6	Very high	97.3	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.7	177.7	176.7	0	0	0	0	112.2	N58 Q90 V93 N137	N58-S88 PolarHBondContact ND2-OG 2.79Å; S88-Q90 WeakPolarHBondContact OG-CB 3.14Å; S88-Q90 PolarHBondContact OG-N 2.91Å; S88-Q90 PolarHBondContact OG-O 2.86Å; S88-V93 WeakPolarHBondContact CB-O 3.21Å; S88-V93 PolarHBondContact OG-O 3.38Å; S88-N137 WeakPolarHBondContact CB-OD1 3.33Å; S88-N137 PolarHBondContact N-OD1 3.11Å; S88-N137 PolarHBondContact O-ND2 3.32Å
89	S	98.1	Very high	97.3	Very high	61 Å²	61	36.9 Å²	36.9	43%	0.427	20%	0.198	S	C	.	.			trans	-91.1	-7.7	163.6	-62.3	0	0	0	0	112.3	M52	M52-S89 PolarHBondContact O-N 2.85Å
90	Q	96.8	Very high	97.4	Very high	29 Å²	29	28 Å²	28	14%	0.136	16%	0.16	C	C	.	.	S	Bend	trans	-78.6	136.1	176.9	-62.5	-60.1	-22.3	0	0	110.6	Q53 N58 S88 K92 V93	Q53-Q90 VanDerWaalsContact C-NE2 3.28Å; Q53-Q90 PolarHBondContact O-NE2 3.49Å; Q53-Q90 VanDerWaalsContact O-NE2 3.16Å; N58-Q90 VanDerWaalsContact OD1-CG 3.26Å; N58-Q90 WeakPolarHBondContact OD1-CG 3.5Å; S88-Q90 WeakPolarHBondContact OG-CB 3.14Å; S88-Q90 PolarHBondContact OG-N 2.91Å; S88-Q90 PolarHBondContact OG-O 2.86Å; Q90-K92 PolarHBondContact O-N 3.37Å; Q90-V93 HydrophobicContact CB-CG1 3.66Å
91	P	91.2	Very high	97.4	Very high	98 Å²	98	30.9 Å²	30.9	64%	0.636	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	134.3	-179.7	27.6	-33.8	0	0	0	110.4	V93	P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.1Å
92	K	96.1	Very high	97.4	Very high	137 Å²	137	31.2 Å²	31.2	60%	0.596	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	1.3	169.8	-52.5	171.8	-176.5	174.9	0	116.4	Q90 G138 S139 Y162	Q90-K92 PolarHBondContact O-N 3.37Å; K92-G138 WeakPolarHBondContact O-CA 3.31Å; K92-S139 PolarHBondContact O-N 3.22Å; K92-Y162 WeakPolarHBondContact CA-OH 3.36Å; K92-Y162 HydrophobicContact CB-CE1 3.77Å; K92-Y162 HydrophobicContact CG-CE1 4.25Å; K92-Y162 WeakPolarHBondContact O-CE1 3.36Å
93	V	98.2	Very high	97.3	Very high	13 Å²	13	27.6 Å²	27.6	8%	0.079	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-139.4	126.4	-177	61.2	0	0	0	0	110.5	V57 S88 Q90 P91	V57-V93 HydrophobicContact CB-CG1 4.04Å; V57-V93 HydrophobicContact CB-CG2 4.22Å; V57-V93 HydrophobicContact CG1-CG1 4.24Å; V57-V93 WeakPolarHBondContact O-CG2 3.49Å; S88-V93 WeakPolarHBondContact CB-O 3.21Å; S88-V93 PolarHBondContact OG-O 3.38Å; Q90-V93 HydrophobicContact CB-CG1 3.66Å; P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.1Å
94	F	98.8	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-73.4	-60.7	168.4	178.3	-102.1	0	0	0	108.7	M52 N58 I86 I136 S139 S140 M147	M52-F94 HydrophobicContact CE-CD1 3.91Å; M52-F94 HydrophobicContact CE-CD2 3.74Å; M52-F94 HydrophobicContact CE-CE1 3.68Å; M52-F94 HydrophobicContact CE-CE2 3.5Å; M52-F94 VanDerWaalsContact CE-CE2 3.5Å; M52-F94 HydrophobicContact CE-CG 3.95Å; M52-F94 HydrophobicContact CE-CZ 3.46Å; M52-F94 VanDerWaalsContact CE-CZ 3.46Å; M52-F94 VanDerWaalsContact CE-O 3.22Å; M52-F94 WeakPolarHBondContact CE-O 3.37Å; N58-F94 WeakPolarHBondContact CB-O 3.38Å; N58-F94 PolarHBondContact ND2-O 3.47Å; I86-F94 HydrophobicContact CB-CZ 4.48Å; I86-F94 HydrophobicContact CG2-CE2 4.2Å; I86-F94 HydrophobicContact CG2-CZ 3.88Å; F94-I136 HydrophobicContact CB-CG2 4.07Å; F94-I136 HydrophobicContact CG-CG2 4.28Å; F94-S139 PolarHBondContact N-O 3.32Å; F94-S140 WeakPolarHBondContact CD1-OG 3.48Å; F94-M147 HydrophobicContact CE1-CG 4.43Å; F94-M147 HydrophobicContact CE1-SD 4.18Å; F94-M147 HydrophobicContact CZ-SD 4.37Å
95	S	98.8	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.			trans	-156.5	138.7	167.7	169.6	0	0	0	0	110	N58 G97 S139 P141	N58-S95 WeakPolarHBondContact O-CB 3.4Å; N58-S95 PolarHBondContact O-OG 3.43Å; S95-G97 PolarHBondContact O-N 3.06Å; S95-G97 PolarHBondContact OG-N 3.36Å; S95-G97 VanDerWaalsContact OG-N 3.09Å; S95-S139 PolarHBondContact N-O 3.08Å; S95-P141 VanDerWaalsContact O-CD 3.32Å; S95-P141 WeakPolarHBondContact O-CD 3.28Å
96	A	97.5	Very high	97	Very high	38 Å²	38	37.7 Å²	37.7	31%	0.314	22%	0.215	S	C	.	.			trans	-74.8	-0.6	173.1	0	0	0	0	0	113.9	V57	V57-A96 HydrophobicContact CB-CB 3.86Å; V57-A96 HydrophobicContact CG2-CB 3.53Å; V57-A96 PolarHBondContact O-N 3.28Å
97	G	97.4	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87	-159	-178.6	0	0	0	0	0	113.5	S59 L60 S95	S59-G97 WeakPolarHBondContact CA-O 3.28Å; L60-G97 PolarHBondContact N-O 3.26Å; S95-G97 PolarHBondContact O-N 3.06Å; S95-G97 PolarHBondContact OG-N 3.36Å; S95-G97 VanDerWaalsContact OG-N 3.09Å
98	L	97.6	Very high	96.9	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.141	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	135.1	-176.1	-62.2	-171.9	0	0	0	111.6	L60 I100 M103 F114 W115 V118	L60-L98 HydrophobicContact CB-CD2 4.16Å; L60-L98 HydrophobicContact CD1-CD2 4.12Å; L98-I100 PolarHBondContact O-N 3.47Å; L98-M103 HydrophobicContact CB-CE 4.14Å; L98-F114 HydrophobicContact CB-CE1 4.46Å; L98-F114 HydrophobicContact CB-CZ 4.02Å; L98-F114 HydrophobicContact CD1-CE1 4.34Å; L98-F114 HydrophobicContact CD1-CZ 4.44Å; L98-F114 HydrophobicContact CD2-CZ 4.03Å; L98-F114 HydrophobicContact CG-CZ 4.38Å; L98-W115 HydrophobicContact CD1-CZ3 3.95Å; L98-V118 HydrophobicContact CD1-CG1 4.37Å; L98-V118 HydrophobicContact CD1-CG2 4.38Å; L98-V118 HydrophobicContact CD2-CG1 4.14Å; L98-V118 HydrophobicContact CD2-CG2 3.59Å
99	D	96.6	Very high	96.8	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.182	28%	0.277	C	S	.	.			trans	-71.2	112.9	176.4	-166.6	-15.6	0	0	0	110.4	L60 L101 E102	L60-D99 PolarHBondContact O-N 3.46Å; L60-D99 VanDerWaalsContact O-N 3.12Å; D99-L101 PolarHBondContact O-N 2.89Å; D99-L101 VanDerWaalsContact OD1-CB 3.3Å; D99-L101 WeakPolarHBondContact OD1-CB 3.27Å; D99-L101 PolarHBondContact OD1-N 2.67Å; D99-E102 HydrophobicContact CB-CG 4.07Å; D99-E102 WeakPolarHBondContact O-CB 3.48Å; D99-E102 PolarHBondContact O-N 2.85Å
100	I	94.7	Very high	96.8	Very high	18 Å²	18	49.1 Å²	49.1	9%	0.092	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.5	-26.9	179.1	-61.4	175.7	0	0	0	111.3	L98 E102 M103 Y104 L171 L280 Y283 M284	L98-I100 PolarHBondContact O-N 3.47Å; I100-E102 PolarHBondContact O-N 2.87Å; I100-M103 HydrophobicContact CB-CE 4.45Å; I100-M103 HydrophobicContact CG1-CE 4.12Å; I100-M103 PolarHBondContact O-N 2.68Å; I100-Y104 WeakPolarHBondContact O-CB 3.16Å; I100-Y104 PolarHBondContact O-N 3.32Å; I100-L171 HydrophobicContact CD1-CD2 3.67Å; I100-L171 HydrophobicContact CG1-CD2 4.42Å; I100-L280 HydrophobicContact CG2-CB 4.2Å; I100-L280 HydrophobicContact CG2-CD2 4.11Å; I100-Y283 HydrophobicContact CD1-CD1 3.29Å; I100-Y283 HydrophobicContact CD1-CE1 3.35Å; I100-M284 HydrophobicContact CG2-CG 3.83Å; I100-M284 HydrophobicContact CG2-SD 3.84Å
101	L	95.4	Very high	96.9	Very high	93 Å²	93	47.7 Å²	47.7	49%	0.487	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.5	-19.6	175.8	-61.6	178.9	0	0	0	112.7	D99 M103 K106 M284	D99-L101 PolarHBondContact O-N 2.89Å; D99-L101 VanDerWaalsContact OD1-CB 3.3Å; D99-L101 WeakPolarHBondContact OD1-CB 3.27Å; D99-L101 PolarHBondContact OD1-N 2.67Å; L101-M103 VanDerWaalsContact C-N 3.27Å; L101-K106 WeakPolarHBondContact O-CE 3.35Å; L101-M284 HydrophobicContact CD2-CE 3.32Å; L101-M284 HydrophobicContact CD2-SD 4.15Å
102	E	97.1	Very high	97.3	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.075	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-81.4	-9.2	172.6	-62.2	-75.3	-161.7	0	0	112.7	L62 D99 I100 K106 R110 F114	L62-E102 WeakPolarHBondContact CB-OE1 3.45Å; L62-E102 PolarHBondContact N-OE1 2.87Å; D99-E102 HydrophobicContact CB-CG 4.07Å; D99-E102 WeakPolarHBondContact O-CB 3.48Å; D99-E102 PolarHBondContact O-N 2.85Å; I100-E102 PolarHBondContact O-N 2.87Å; E102-K106 WeakPolarHBondContact O-CG 3.22Å; E102-R110 IonicContact OE1-NH2 4Å; E102-R110 PolarHBondContact OE1-NH2 2.81Å; E102-R110 IonicContact OE2-CZ 2.68Å; E102-R110 IonicContact OE2-NE 3.05Å; E102-R110 PolarHBondContact OE2-NE 2.86Å; E102-R110 VanDerWaalsContact OE2-NE 3.11Å; E102-R110 IonicContact OE2-NH2 3.25Å; E102-R110 PolarHBondContact OE2-NH2 2.82Å; E102-F114 HydrophobicContact CB-CB 4.33Å; E102-F114 HydrophobicContact CB-CD1 3.99Å; E102-F114 HydrophobicContact CB-CD2 3.54Å; E102-F114 HydrophobicContact CB-CE1 4.15Å; E102-F114 HydrophobicContact CB-CE2 3.71Å; E102-F114 HydrophobicContact CB-CG 3.67Å; E102-F114 HydrophobicContact CB-CZ 4.01Å; E102-F114 HydrophobicContact CG-CD2 3.81Å; E102-F114 HydrophobicContact CG-CE2 3.87Å; E102-F114 HydrophobicContact CG-CG 4.42Å
103	M	95.4	Very high	97.4	Very high	4 Å²	4	42 Å²	42	2%	0.02	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-30.4	-177.4	-61.6	-173.7	-76.7	0	0	112.9	L98 I100 L101 F114 F267 I271 Q277 L280	L98-M103 HydrophobicContact CB-CE 4.14Å; I100-M103 HydrophobicContact CB-CE 4.45Å; I100-M103 HydrophobicContact CG1-CE 4.12Å; I100-M103 PolarHBondContact O-N 2.68Å; L101-M103 VanDerWaalsContact C-N 3.27Å; M103-F114 HydrophobicContact CG-CD1 4.04Å; M103-F114 HydrophobicContact CG-CE1 3.77Å; M103-F114 HydrophobicContact SD-CE1 4.07Å; M103-F267 HydrophobicContact CG-CZ 4.02Å; M103-F267 HydrophobicContact SD-CE2 4.11Å; M103-F267 HydrophobicContact SD-CZ 3.95Å; M103-I271 HydrophobicContact CB-CD1 4.17Å; M103-I271 HydrophobicContact CB-CG1 3.87Å; M103-I271 HydrophobicContact CG-CG1 4.33Å; M103-I271 HydrophobicContact SD-CD1 4.06Å; M103-I271 HydrophobicContact SD-CG1 4.43Å; M103-Q277 PolarHBondContact O-NE2 3.4Å; M103-L280 HydrophobicContact CB-CD1 3.97Å
104	Y	96.6	Very high	97.4	Very high	58 Å²	58	41.4 Å²	41.4	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	124.7	-176.5	176.5	-105.5	0	0	0	112.1	I100 K106 Q277 L280 R281 M284	I100-Y104 WeakPolarHBondContact O-CB 3.16Å; I100-Y104 PolarHBondContact O-N 3.32Å; Y104-K106 PolarHBondContact O-N 2.82Å; Y104-Q277 WeakPolarHBondContact CE2-O 3.4Å; Y104-L280 HydrophobicContact CD2-CB 4.04Å; Y104-R281 HydrophobicContact CD2-CB 4.45Å; Y104-R281 HydrophobicContact CE2-CB 3.68Å; Y104-R281 HydrophobicContact CE2-CG 4.38Å; Y104-R281 PolarHBondContact OH-NE 2.85Å; Y104-R281 PolarHBondContact OH-NH2 3.1Å; Y104-R281 VanDerWaalsContact OH-NH2 3.11Å; Y104-M284 HydrophobicContact CD1-CE 4.07Å; Y104-M284 HydrophobicContact CD1-SD 3.63Å; Y104-M284 HydrophobicContact CE1-SD 4.36Å; Y104-M284 HydrophobicContact CG-SD 3.77Å
105	G	96.3	Very high	97.4	Very high	62 Å²	62	42 Å²	42	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	22.6	176.4	0	0	0	0	0	114.4
106	K	97.4	Very high	97.4	Very high	92 Å²	92	47.4 Å²	47.4	40%	0.4	26%	0.255	S	S	.	.			trans	-97.5	157	178.7	-62.3	-56	-176.8	172.1	0	111.5	L101 E102 Y104 R110	L101-K106 WeakPolarHBondContact O-CE 3.35Å; E102-K106 WeakPolarHBondContact O-CG 3.22Å; Y104-K106 PolarHBondContact O-N 2.82Å; K106-R110 HydrophobicContact CB-CB 4.23Å; K106-R110 HydrophobicContact CB-CG 4.12Å; K106-R110 HydrophobicContact CD-CG 4.26Å; K106-R110 HydrophobicContact CG-CG 4.26Å
107	S	97.8	Very high	97.4	Very high	55 Å²	55	46 Å²	46	39%	0.385	24%	0.244	S	C	.	.			trans	-69.2	154.9	174.3	84.3	0	0	0	0	110.6	E109 R110 C111	S107-E109 WeakPolarHBondContact CB-OE2 3.38Å; S107-E109 PolarHBondContact O-N 2.79Å; S107-E109 PolarHBondContact OG-OE2 3.44Å; S107-R110 PolarHBondContact O-N 3.37Å; S107-R110 VanDerWaalsContact O-N 3.13Å; S107-R110 PolarHBondContact OG-N 3.25Å; S107-C111 PolarHBondContact O-N 2.95Å
108	P	98.1	Very high	97.5	Very high	62 Å²	62	46 Å²	46	40%	0.403	24%	0.244	S	C	.	.	H	α-helix	trans	-51.3	-40.5	174.8	-28.4	36.7	0	0	0	113.3	C111 G112 V268 T272	P108-C111 PolarHBondContact O-N 2.79Å; P108-G112 PolarHBondContact O-N 2.88Å; P108-V268 HydrophobicContact CB-CG1 3.64Å; P108-T272 HydrophobicContact CG-CG2 4.33Å
109	E	98.1	Very high	97.6	Very high	126 Å²	126	44.8 Å²	44.8	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-63.7	-46.1	179.5	-56.4	70.8	-151.3	0	0	110.8	S107 C111 G112 E113	S107-E109 WeakPolarHBondContact CB-OE2 3.38Å; S107-E109 PolarHBondContact O-N 2.79Å; S107-E109 PolarHBondContact OG-OE2 3.44Å; E109-C111 PolarHBondContact O-N 2.85Å; E109-G112 WeakPolarHBondContact O-CA 3.33Å; E109-G112 PolarHBondContact O-N 3.13Å; E109-G112 VanDerWaalsContact O-N 3.1Å; E109-E113 PolarHBondContact O-N 2.81Å
110	R	97.8	Very high	97.7	Very high	69 Å²	69	45.6 Å²	45.6	26%	0.26	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-40.8	178.3	179.8	57.1	179.2	-165.4	1.2	112	E102 K106 S107 G112 E113 F114	E102-R110 IonicContact OE1-NH2 4Å; E102-R110 PolarHBondContact OE1-NH2 2.81Å; E102-R110 IonicContact OE2-CZ 2.68Å; E102-R110 IonicContact OE2-NE 3.05Å; E102-R110 PolarHBondContact OE2-NE 2.86Å; E102-R110 VanDerWaalsContact OE2-NE 3.11Å; E102-R110 IonicContact OE2-NH2 3.25Å; E102-R110 PolarHBondContact OE2-NH2 2.82Å; K106-R110 HydrophobicContact CB-CB 4.23Å; K106-R110 HydrophobicContact CB-CG 4.12Å; K106-R110 HydrophobicContact CD-CG 4.26Å; K106-R110 HydrophobicContact CG-CG 4.26Å; S107-R110 PolarHBondContact O-N 3.37Å; S107-R110 VanDerWaalsContact O-N 3.13Å; S107-R110 PolarHBondContact OG-N 3.25Å; R110-G112 VanDerWaalsContact C-N 3.27Å; R110-G112 PolarHBondContact O-N 3.32Å; R110-E113 IonicContact NH1-OE2 3.38Å; R110-E113 PolarHBondContact NH1-OE2 3.01Å; R110-E113 PolarHBondContact O-N 3.16Å; R110-F114 WeakPolarHBondContact O-CB 3.26Å; R110-F114 PolarHBondContact O-N 2.76Å
111	C	98.3	Very high	97.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-40.1	172.7	-71.1	0	0	0	0	111.3	S107 P108 E109 F114 W115 F267 V268 I271	S107-C111 PolarHBondContact O-N 2.95Å; P108-C111 PolarHBondContact O-N 2.79Å; E109-C111 PolarHBondContact O-N 2.85Å; C111-F114 PolarHBondContact O-N 2.98Å; C111-W115 WeakPolarHBondContact O-CB 3.4Å; C111-W115 PolarHBondContact O-N 3.47Å; C111-F267 HydrophobicContact CB-CE1 4.02Å; C111-F267 WeakPolarHBondContact O-CE1 3.39Å; C111-V268 HydrophobicContact CB-CG2 4.17Å; C111-I271 HydrophobicContact CB-CG2 4.06Å
112	G	98.6	Very high	98	Very high	12 Å²	12	40.3 Å²	40.3	12%	0.124	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45.3	176.7	0	0	0	0	0	113.2	P108 E109 R110 F114 W115 K116	P108-G112 PolarHBondContact O-N 2.88Å; E109-G112 WeakPolarHBondContact O-CA 3.33Å; E109-G112 PolarHBondContact O-N 3.13Å; E109-G112 VanDerWaalsContact O-N 3.1Å; R110-G112 VanDerWaalsContact C-N 3.27Å; R110-G112 PolarHBondContact O-N 3.32Å; G112-F114 PolarHBondContact O-N 3.12Å; G112-W115 PolarHBondContact O-N 3.45Å; G112-K116 WeakPolarHBondContact O-CB 3.5Å; G112-K116 PolarHBondContact O-N 3.37Å
113	E	98.5	Very high	98.1	Very high	104 Å²	104	40.2 Å²	40.2	49%	0.486	21%	0.213	S	C	.	.	H	α-helix	trans	-57.9	-47.6	174.1	-71.6	175.7	174	0	0	111.7	L62 E109 R110 W115 K116 A117	L62-E113 HydrophobicContact CD2-CB 4.39Å; E109-E113 PolarHBondContact O-N 2.81Å; R110-E113 IonicContact NH1-OE2 3.38Å; R110-E113 PolarHBondContact NH1-OE2 3.01Å; R110-E113 PolarHBondContact O-N 3.16Å; E113-W115 PolarHBondContact O-N 2.86Å; E113-K116 PolarHBondContact O-N 3.45Å; E113-A117 PolarHBondContact O-N 2.82Å; E113-A117 VanDerWaalsContact O-N 3.14Å
114	F	98.7	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-50.3	176.7	176.4	-114.1	0	0	0	111.5	L60 L62 L65 L98 E102 M103 R110 C111 G112 K116 A117 V118 F267	L60-F114 VanDerWaalsContact O-CE2 3.29Å; L60-F114 WeakPolarHBondContact O-CE2 3.43Å; L62-F114 HydrophobicContact CB-CD2 4.29Å; L65-F114 HydrophobicContact CD1-CD2 4.1Å; L65-F114 HydrophobicContact CD1-CE2 3.59Å; L65-F114 HydrophobicContact CD1-CZ 4.36Å; L98-F114 HydrophobicContact CB-CE1 4.46Å; L98-F114 HydrophobicContact CB-CZ 4.02Å; L98-F114 HydrophobicContact CD1-CE1 4.34Å; L98-F114 HydrophobicContact CD1-CZ 4.44Å; L98-F114 HydrophobicContact CD2-CZ 4.03Å; L98-F114 HydrophobicContact CG-CZ 4.38Å; E102-F114 HydrophobicContact CB-CB 4.33Å; E102-F114 HydrophobicContact CB-CD1 3.99Å; E102-F114 HydrophobicContact CB-CD2 3.54Å; E102-F114 HydrophobicContact CB-CE1 4.15Å; E102-F114 HydrophobicContact CB-CE2 3.71Å; E102-F114 HydrophobicContact CB-CG 3.67Å; E102-F114 HydrophobicContact CB-CZ 4.01Å; E102-F114 HydrophobicContact CG-CD2 3.81Å; E102-F114 HydrophobicContact CG-CE2 3.87Å; E102-F114 HydrophobicContact CG-CG 4.42Å; M103-F114 HydrophobicContact CG-CD1 4.04Å; M103-F114 HydrophobicContact CG-CE1 3.77Å; M103-F114 HydrophobicContact SD-CE1 4.07Å; R110-F114 WeakPolarHBondContact O-CB 3.26Å; R110-F114 PolarHBondContact O-N 2.76Å; C111-F114 PolarHBondContact O-N 2.98Å; G112-F114 PolarHBondContact O-N 3.12Å; F114-K116 VanDerWaalsContact C-N 3.31Å; F114-K116 PolarHBondContact O-N 3.16Å; F114-A117 PolarHBondContact O-N 3.38Å; F114-A117 VanDerWaalsContact O-N 3.14Å; F114-V118 HydrophobicContact CD1-CG2 4.43Å; F114-V118 HydrophobicContact CD2-CG2 4.42Å; F114-V118 HydrophobicContact CE1-CG2 4.03Å; F114-V118 HydrophobicContact CE2-CG2 4.02Å; F114-V118 HydrophobicContact CZ-CG2 3.82Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 3.49Å; F114-F267 HydrophobicContact CD1-CZ 4.43Å
115	W	98.6	Very high	98.4	Very high	11 Å²	11	39 Å²	39	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-37	-178.8	-161.1	-110.6	0	0	0	113	L98 C111 G112 E113 A117 V118 Q119 P176 W178 D263 F267	L98-W115 HydrophobicContact CD1-CZ3 3.95Å; C111-W115 WeakPolarHBondContact O-CB 3.4Å; C111-W115 PolarHBondContact O-N 3.47Å; G112-W115 PolarHBondContact O-N 3.45Å; E113-W115 PolarHBondContact O-N 2.86Å; W115-A117 VanDerWaalsContact C-N 3.3Å; W115-A117 PolarHBondContact O-N 3.27Å; W115-V118 HydrophobicContact CE3-CB 4.36Å; W115-V118 HydrophobicContact CE3-CG1 4.24Å; W115-V118 HydrophobicContact CZ3-CG1 4.13Å; W115-V118 WeakPolarHBondContact O-CB 3.39Å; W115-V118 PolarHBondContact O-N 2.95Å; W115-Q119 WeakPolarHBondContact O-CG 3.28Å; W115-Q119 PolarHBondContact O-N 3.47Å; W115-P176 HydrophobicContact CH2-CB 4.04Å; W115-P176 HydrophobicContact CH2-CG 3.67Å; W115-P176 HydrophobicContact CZ2-CB 3.63Å; W115-P176 HydrophobicContact CZ2-CG 3.69Å; W115-W178 HydrophobicContact CH2-CZ2 4.22Å; W115-W178 AromaticContact CZ2-CZ2 3.7Å; W115-W178 HydrophobicContact CZ2-CZ2 3.7Å; W115-D263 PolarHBondContact NE1-OD2 3.5Å; W115-F267 HydrophobicContact CB-CD1 3.43Å; W115-F267 VanDerWaalsContact CB-CD1 3.43Å; W115-F267 HydrophobicContact CB-CE1 3.77Å; W115-F267 HydrophobicContact CB-CG 4.06Å; W115-F267 HydrophobicContact CD2-CB 3.82Å; W115-F267 AromaticContact CD2-CD1 3.69Å; W115-F267 HydrophobicContact CD2-CD1 3.69Å; W115-F267 AromaticContact CD2-CD2 3.6Å; W115-F267 HydrophobicContact CD2-CD2 3.6Å; W115-F267 HydrophobicContact CD2-CE1 4.12Å; W115-F267 HydrophobicContact CD2-CE2 4.05Å; W115-F267 AromaticContact CD2-CG 3.39Å; W115-F267 HydrophobicContact CD2-CG 3.39Å; W115-F267 HydrophobicContact CD2-CZ 4.28Å; W115-F267 AromaticContact CE2-CD2 3.96Å; W115-F267 AromaticContact CE2-CG 3.83Å; W115-F267 AromaticContact CE3-CD1 3.93Å; W115-F267 HydrophobicContact CE3-CD1 3.93Å; W115-F267 AromaticContact CE3-CD2 3.43Å; W115-F267 HydrophobicContact CE3-CD2 3.43Å; W115-F267 VanDerWaalsContact CE3-CD2 3.43Å; W115-F267 AromaticContact CE3-CE1 3.9Å; W115-F267 HydrophobicContact CE3-CE1 3.9Å; W115-F267 AromaticContact CE3-CE2 3.42Å; W115-F267 HydrophobicContact CE3-CE2 3.42Å; W115-F267 VanDerWaalsContact CE3-CE2 3.42Å; W115-F267 AromaticContact CE3-CG 3.69Å; W115-F267 HydrophobicContact CE3-CG 3.69Å; W115-F267 AromaticContact CE3-CZ 3.65Å; W115-F267 HydrophobicContact CE3-CZ 3.65Å; W115-F267 HydrophobicContact CG-CB 3.79Å; W115-F267 AromaticContact CG-CD1 3.49Å; W115-F267 HydrophobicContact CG-CD1 3.49Å; W115-F267 VanDerWaalsContact CG-CD1 3.49Å; W115-F267 HydrophobicContact CG-CD2 4.27Å; W115-F267 HydrophobicContact CG-CE1 4.11Å; W115-F267 AromaticContact CG-CG 3.56Å; W115-F267 HydrophobicContact CG-CG 3.56Å; W115-F267 HydrophobicContact CH2-CD2 4.01Å; W115-F267 HydrophobicContact CH2-CE2 4.33Å; W115-F267 HydrophobicContact CZ2-CB 4.47Å; W115-F267 HydrophobicContact CZ2-CD2 4.17Å; W115-F267 HydrophobicContact CZ2-CG 4.46Å; W115-F267 AromaticContact CZ3-CD2 3.65Å; W115-F267 HydrophobicContact CZ3-CD2 3.65Å; W115-F267 AromaticContact CZ3-CE2 3.58Å; W115-F267 HydrophobicContact CZ3-CE2 3.58Å; W115-F267 HydrophobicContact CZ3-CG 4.32Å; W115-F267 HydrophobicContact CZ3-CZ 4.2Å
116	K	98.7	Very high	98.5	Very high	114 Å²	114	36.5 Å²	36.5	50%	0.496	18%	0.18	S	C	.	.	H	α-helix	trans	-59.7	-42	174.5	-173.7	179.5	177.8	178.1	0	111.5	G112 E113 F114 Q119 E120 R260 I264	G112-K116 WeakPolarHBondContact O-CB 3.5Å; G112-K116 PolarHBondContact O-N 3.37Å; E113-K116 PolarHBondContact O-N 3.45Å; F114-K116 VanDerWaalsContact C-N 3.31Å; F114-K116 PolarHBondContact O-N 3.16Å; K116-Q119 PolarHBondContact O-N 3.15Å; K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 2.8Å; K116-R260 VanDerWaalsContact CG-NH2 3.32Å; K116-R260 PolarHBondContact O-NH2 3.01Å; K116-I264 HydrophobicContact CB-CD1 4.12Å; K116-I264 HydrophobicContact CG-CD1 4.35Å
117	A	98.7	Very high	98.5	Very high	10 Å²	10	33.8 Å²	33.8	8%	0.083	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-37.3	176.9	0	0	0	0	0	112.6	L62 L65 E113 F114 W115 E120 M121	L62-A117 HydrophobicContact CD1-CB 3.35Å; L65-A117 HydrophobicContact CB-CB 4.11Å; L65-A117 HydrophobicContact CD1-CB 4.36Å; E113-A117 PolarHBondContact O-N 2.82Å; E113-A117 VanDerWaalsContact O-N 3.14Å; F114-A117 PolarHBondContact O-N 3.38Å; F114-A117 VanDerWaalsContact O-N 3.14Å; W115-A117 VanDerWaalsContact C-N 3.3Å; W115-A117 PolarHBondContact O-N 3.27Å; A117-E120 PolarHBondContact O-N 2.63Å; A117-M121 PolarHBondContact O-N 2.98Å
118	V	98.8	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-45.6	173.1	169.2	0	0	0	0	111	L65 L98 F114 W115 W122 W178	L65-V118 HydrophobicContact CD1-CB 4.47Å; L65-V118 HydrophobicContact CD1-CG2 3.43Å; L65-V118 VanDerWaalsContact CD1-CG2 3.43Å; L98-V118 HydrophobicContact CD1-CG1 4.37Å; L98-V118 HydrophobicContact CD1-CG2 4.38Å; L98-V118 HydrophobicContact CD2-CG1 4.14Å; L98-V118 HydrophobicContact CD2-CG2 3.59Å; F114-V118 HydrophobicContact CD1-CG2 4.43Å; F114-V118 HydrophobicContact CD2-CG2 4.42Å; F114-V118 HydrophobicContact CE1-CG2 4.03Å; F114-V118 HydrophobicContact CE2-CG2 4.02Å; F114-V118 HydrophobicContact CZ-CG2 3.82Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 3.49Å; W115-V118 HydrophobicContact CE3-CB 4.36Å; W115-V118 HydrophobicContact CE3-CG1 4.24Å; W115-V118 HydrophobicContact CZ3-CG1 4.13Å; W115-V118 WeakPolarHBondContact O-CB 3.39Å; W115-V118 PolarHBondContact O-N 2.95Å; V118-W122 PolarHBondContact O-N 2.8Å; V118-W178 HydrophobicContact CG1-CH2 3.61Å; V118-W178 HydrophobicContact CG1-CZ2 4.15Å
119	Q	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-42	174.1	-68.8	173.2	-15.9	0	0	112.8	W115 K116 W122 L123 W178 L256 R260 D263	W115-Q119 WeakPolarHBondContact O-CG 3.28Å; W115-Q119 PolarHBondContact O-N 3.47Å; K116-Q119 PolarHBondContact O-N 3.15Å; Q119-W122 PolarHBondContact O-N 3.17Å; Q119-L123 WeakPolarHBondContact O-CB 3.17Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.5Å; Q119-L123 PolarHBondContact O-N 3.18Å; Q119-W178 HydrophobicContact CG-CZ2 3.93Å; Q119-L256 HydrophobicContact CB-CD2 4.25Å; Q119-L256 HydrophobicContact CG-CD1 4.34Å; Q119-L256 HydrophobicContact CG-CD2 4.25Å; Q119-R260 PolarHBondContact NE2-O 2.89Å; Q119-D263 PolarHBondContact NE2-OD2 2.95Å
120	E	98.8	Very high	98.6	Very high	51 Å²	51	26.8 Å²	26.8	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-47.8	177.1	-80.2	-55.1	154.5	0	0	111.7	K116 A117 W122 L123 K124 R260	K116-E120 WeakPolarHBondContact O-CG 3.42Å; K116-E120 PolarHBondContact O-N 2.8Å; A117-E120 PolarHBondContact O-N 2.63Å; E120-W122 VanDerWaalsContact C-N 3.31Å; E120-W122 PolarHBondContact O-N 2.99Å; E120-L123 PolarHBondContact O-N 2.85Å; E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 VanDerWaalsContact O-CG 3.29Å; E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 2.64Å; E120-K124 IonicContact OE2-NZ 3.9Å; E120-R260 VanDerWaalsContact CG-NH2 3.28Å; E120-R260 IonicContact OE1-CZ 2.79Å; E120-R260 IonicContact OE1-NH1 2.64Å; E120-R260 PolarHBondContact OE1-NH1 3.41Å; E120-R260 IonicContact OE1-NH2 3.7Å; E120-R260 PolarHBondContact OE1-NH2 3.45Å
121	M	98.7	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-47	179.9	-179.8	-82.6	-67.6	0	0	110.7	L60 L65 I68 C69 A117 L125 L146 M147	L60-M121 HydrophobicContact CD1-CE 4.46Å; L65-M121 HydrophobicContact CD2-CB 3.94Å; L65-M121 HydrophobicContact CD2-CE 4.02Å; L65-M121 HydrophobicContact CD2-CG 4.08Å; I68-M121 HydrophobicContact CG2-CG 3.94Å; C69-M121 VanDerWaalsContact SG-CA 3.57Å; C69-M121 PolarHBondContact SG-N 3.46Å; A117-M121 PolarHBondContact O-N 2.98Å; M121-L125 VanDerWaalsContact O-CB 3.29Å; M121-L125 WeakPolarHBondContact O-CB 3.04Å; M121-L125 PolarHBondContact O-N 3.22Å; M121-L125 HydrophobicContact SD-CD2 4.36Å; M121-L146 HydrophobicContact CE-CD2 4.08Å; M121-M147 HydrophobicContact CE-CE 4.27Å; M121-M147 HydrophobicContact SD-CE 4.16Å
122	W	98.8	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-46.5	177.1	178.7	86.5	0	0	0	112.2	V118 Q119 E120 K124 L125 Y126 W178 T182 T252 I253 L256	V118-W122 PolarHBondContact O-N 2.8Å; Q119-W122 PolarHBondContact O-N 3.17Å; E120-W122 VanDerWaalsContact C-N 3.31Å; E120-W122 PolarHBondContact O-N 2.99Å; W122-K124 VanDerWaalsContact C-N 3.34Å; W122-K124 PolarHBondContact O-N 3.21Å; W122-L125 PolarHBondContact O-N 3.34Å; W122-Y126 AromaticContact CH2-CD1 3.88Å; W122-Y126 HydrophobicContact CH2-CD1 3.88Å; W122-Y126 HydrophobicContact CH2-CE1 4.42Å; W122-Y126 AromaticContact CZ2-CD1 3.46Å; W122-Y126 HydrophobicContact CZ2-CD1 3.46Å; W122-Y126 VanDerWaalsContact CZ2-CD1 3.46Å; W122-Y126 AromaticContact CZ2-CE1 3.9Å; W122-Y126 HydrophobicContact CZ2-CE1 3.9Å; W122-Y126 AromaticContact CZ2-CG 3.96Å; W122-Y126 HydrophobicContact CZ2-CG 3.96Å; W122-Y126 WeakPolarHBondContact O-CB 3.4Å; W122-Y126 PolarHBondContact O-N 2.98Å; W122-W178 HydrophobicContact CB-CE3 4.07Å; W122-W178 HydrophobicContact CB-CH2 4.2Å; W122-W178 HydrophobicContact CB-CZ3 3.44Å; W122-W178 VanDerWaalsContact CB-CZ3 3.44Å; W122-W178 AromaticContact CD1-CE3 3.78Å; W122-W178 AromaticContact CD1-CZ3 3.73Å; W122-W178 AromaticContact CD2-CE3 3.63Å; W122-W178 HydrophobicContact CD2-CE3 3.63Å; W122-W178 AromaticContact CD2-CZ3 3.98Å; W122-W178 HydrophobicContact CD2-CZ3 3.98Å; W122-W178 AromaticContact CE2-CE3 3.92Å; W122-W178 HydrophobicContact CE3-CE3 4.2Å; W122-W178 AromaticContact CG-CE3 3.54Å; W122-W178 HydrophobicContact CG-CE3 3.54Å; W122-W178 AromaticContact CG-CZ3 3.4Å; W122-W178 HydrophobicContact CG-CZ3 3.4Å; W122-W178 HydrophobicContact CH2-CB 4.33Å; W122-W178 HydrophobicContact CZ2-CB 4.28Å; W122-W178 AromaticContact NE1-CE3 3.96Å; W122-T182 PolarHBondContact NE1-OG1 3.28Å; W122-T252 HydrophobicContact CH2-CG2 3.91Å; W122-T252 HydrophobicContact CZ2-CG2 3.87Å; W122-I253 HydrophobicContact CH2-CG1 4.26Å; W122-I253 HydrophobicContact CZ3-CG1 4.49Å; W122-L256 HydrophobicContact CD2-CD2 4.4Å; W122-L256 HydrophobicContact CE3-CD2 3.39Å; W122-L256 HydrophobicContact CZ3-CB 3.9Å; W122-L256 HydrophobicContact CZ3-CD2 3.47Å; W122-L256 VanDerWaalsContact CZ3-CD2 3.47Å; W122-L256 HydrophobicContact CZ3-CG 4.32Å
123	L	98.8	Very high	98.7	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.073	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-45	179.8	-77.6	168.4	0	0	0	111.8	Q119 E120 G127 I253 L256 R257	Q119-L123 WeakPolarHBondContact O-CB 3.17Å; Q119-L123 VanDerWaalsContact O-CG 3.29Å; Q119-L123 WeakPolarHBondContact O-CG 3.5Å; Q119-L123 PolarHBondContact O-N 3.18Å; E120-L123 PolarHBondContact O-N 2.85Å; L123-G127 WeakPolarHBondContact O-CA 3.33Å; L123-G127 PolarHBondContact O-N 3.29Å; L123-I253 HydrophobicContact CD2-CG2 3.91Å; L123-L256 HydrophobicContact CD1-CD2 4.36Å; L123-L256 HydrophobicContact CD2-CD2 4.13Å; L123-L256 HydrophobicContact CG-CD2 4.01Å; L123-R257 HydrophobicContact CD2-CG 3.97Å
124	K	98.6	Very high	98.7	Very high	36 Å²	36	18 Å²	18	16%	0.157	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-50	179.1	-71.1	178.2	-174.4	-53.3	0	111.3	C69 L72 E73 E120 W122 S128	C69-K124 HydrophobicContact CB-CD 3.94Å; L72-K124 HydrophobicContact CD1-CB 4.01Å; E73-K124 HydrophobicContact CG-CD 4.12Å; E73-K124 WeakPolarHBondContact OE1-CE 3.46Å; E73-K124 IonicContact OE1-NZ 3.51Å; E73-K124 PolarHBondContact OE1-NZ 3.07Å; E120-K124 WeakPolarHBondContact O-CB 3.47Å; E120-K124 VanDerWaalsContact O-CG 3.29Å; E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 2.64Å; E120-K124 IonicContact OE2-NZ 3.9Å; W122-K124 VanDerWaalsContact C-N 3.34Å; W122-K124 PolarHBondContact O-N 3.21Å; K124-S128 WeakPolarHBondContact O-CA 3.31Å; K124-S128 VanDerWaalsContact O-CB 3.28Å; K124-S128 WeakPolarHBondContact O-CB 3.49Å; K124-S128 PolarHBondContact O-N 3.03Å
125	L	98.7	Very high	98.7	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-71.5	-43.2	-175.9	-173.3	63.5	0	0	0	112.1	L72 I86 M121 W122 S128 T132 M147 T150	L72-L125 HydrophobicContact CD1-CB 4.17Å; L72-L125 HydrophobicContact CD2-CD1 4.09Å; I86-L125 HydrophobicContact CD1-CD1 3.75Å; I86-L125 HydrophobicContact CD1-CD2 4.08Å; M121-L125 VanDerWaalsContact O-CB 3.29Å; M121-L125 WeakPolarHBondContact O-CB 3.04Å; M121-L125 PolarHBondContact O-N 3.22Å; M121-L125 HydrophobicContact SD-CD2 4.36Å; W122-L125 PolarHBondContact O-N 3.34Å; L125-S128 PolarHBondContact O-N 2.9Å; L125-T132 HydrophobicContact CD1-CG2 3.86Å; L125-M147 HydrophobicContact CD2-CG 3.85Å; L125-T150 HydrophobicContact CB-CG2 3.68Å; L125-T150 HydrophobicContact CD2-CG2 3.84Å; L125-T150 HydrophobicContact CG-CG2 3.62Å
126	Y	98.8	Very high	98.7	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.035	9%	0.093	C	C	.	.	H	α-helix	trans	-69	-38.7	-178.2	-158.4	-126.1	0	0	0	111.5	W122 T150 T182 N185 R249 T252 I253	W122-Y126 AromaticContact CH2-CD1 3.88Å; W122-Y126 HydrophobicContact CH2-CD1 3.88Å; W122-Y126 HydrophobicContact CH2-CE1 4.42Å; W122-Y126 AromaticContact CZ2-CD1 3.46Å; W122-Y126 HydrophobicContact CZ2-CD1 3.46Å; W122-Y126 VanDerWaalsContact CZ2-CD1 3.46Å; W122-Y126 AromaticContact CZ2-CE1 3.9Å; W122-Y126 HydrophobicContact CZ2-CE1 3.9Å; W122-Y126 AromaticContact CZ2-CG 3.96Å; W122-Y126 HydrophobicContact CZ2-CG 3.96Å; W122-Y126 WeakPolarHBondContact O-CB 3.4Å; W122-Y126 PolarHBondContact O-N 2.98Å; Y126-T150 HydrophobicContact CD2-CG2 3.78Å; Y126-T150 HydrophobicContact CG-CG2 4.1Å; Y126-T182 HydrophobicContact CD2-CG2 4.34Å; Y126-T182 HydrophobicContact CE2-CG2 3.79Å; Y126-N185 PolarHBondContact OH-ND2 3.15Å; Y126-R249 HydrophobicContact CD1-CB 4.1Å; Y126-R249 HydrophobicContact CD1-CG 4.36Å; Y126-R249 HydrophobicContact CE1-CB 3.67Å; Y126-R249 HydrophobicContact CE1-CG 3.77Å; Y126-R249 HydrophobicContact CE2-CG 4.23Å; Y126-R249 WeakPolarHBondContact O-CD 3.29Å; Y126-R249 PolarHBondContact O-NH1 3.17Å; Y126-T252 HydrophobicContact CE1-CG2 4.22Å; Y126-I253 HydrophobicContact CD1-CD1 4.14Å; Y126-I253 HydrophobicContact CD1-CG1 3.77Å; Y126-I253 HydrophobicContact CE1-CG1 4.43Å
127	G	98.4	Very high	98.7	Very high	35 Å²	35	13.6 Å²	13.6	36%	0.361	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.5	179.7	0	0	0	0	0	115	L123	L123-G127 WeakPolarHBondContact O-CA 3.33Å; L123-G127 PolarHBondContact O-N 3.29Å
128	S	98.4	Very high	98.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.007	7%	0.074	C	C	.	.			trans	-64	140.9	-171.5	-170.6	0	0	0	0	113.4	E76 K124 L125 M130 K245	E76-S128 WeakPolarHBondContact OE1-CA 3.42Å; E76-S128 WeakPolarHBondContact OE1-CB 3.34Å; E76-S128 PolarHBondContact OE1-OG 3.08Å; K124-S128 WeakPolarHBondContact O-CA 3.31Å; K124-S128 VanDerWaalsContact O-CB 3.28Å; K124-S128 WeakPolarHBondContact O-CB 3.49Å; K124-S128 PolarHBondContact O-N 3.03Å; L125-S128 PolarHBondContact O-N 2.9Å; S128-M130 VanDerWaalsContact C-N 3.31Å; S128-M130 PolarHBondContact OG-N 3.23Å; S128-K245 WeakPolarHBondContact O-CD 3.44Å; S128-K245 WeakPolarHBondContact O-CE 2.77Å; S128-K245 PolarHBondContact O-NZ 2.99Å
129	N	98	Very high	98.7	Very high	89 Å²	89	14.4 Å²	14.4	48%	0.476	8%	0.083	S	C	.	.	S	Bend	trans	-75.1	-22	173.8	-76	-29.7	0	0	0	113	R241 Q242	N129-R241 PolarHBondContact O-NH1 3Å; N129-R241 VanDerWaalsContact O-NH1 3.08Å; N129-R241 PolarHBondContact O-NH2 3.31Å; N129-Q242 HydrophobicContact CB-CG 4.07Å; N129-Q242 WeakPolarHBondContact O-CG 3.44Å; N129-Q242 PolarHBondContact O-NE2 3.02Å
130	M	98.6	Very high	98.7	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.025	8%	0.083	C	C	.	.	S	Bend	trans	-66.9	156.4	172.9	-62.9	-176.4	-67.6	0	0	110.7	L75 E76 C81 R82 L84 S128 K245	L75-M130 HydrophobicContact CB-CE 3.95Å; L75-M130 HydrophobicContact CB-SD 3.88Å; E76-M130 HydrophobicContact CG-CE 3.84Å; C81-M130 PolarHBondContact SG-SD 3.22Å; R82-M130 WeakPolarHBondContact O-CA 3.25Å; L84-M130 HydrophobicContact CB-CE 4.22Å; L84-M130 HydrophobicContact CB-SD 4.36Å; L84-M130 HydrophobicContact CD2-CE 4.15Å; S128-M130 VanDerWaalsContact C-N 3.31Å; S128-M130 PolarHBondContact OG-N 3.23Å; M130-K245 PolarHBondContact O-NZ 3.29Å; M130-K245 VanDerWaalsContact O-NZ 3.11Å
131	V	98.8	Very high	98.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.6	160.2	-179.4	0	0	0	0	107.8	R82 G83 L84 I133 D152 M230 W233 L234 R241	R82-V131 PolarHBondContact O-N 2.8Å; G83-V131 CarbonylContact C-O 3.59Å; G83-V131 VanDerWaalsContact CA-O 3.31Å; G83-V131 WeakPolarHBondContact CA-O 3.44Å; L84-V131 PolarHBondContact N-O 3.19Å; V131-I133 HydrophobicContact CG1-CG1 4.34Å; V131-D152 WeakPolarHBondContact CA-OD2 3.49Å; V131-M230 HydrophobicContact CB-CE 4.27Å; V131-M230 HydrophobicContact CB-SD 3.7Å; V131-M230 HydrophobicContact CG1-CE 4.04Å; V131-M230 HydrophobicContact CG1-SD 3.59Å; V131-M230 VanDerWaalsContact CG1-SD 3.59Å; V131-W233 HydrophobicContact CB-CB 4.31Å; V131-W233 HydrophobicContact CG1-CB 3.56Å; V131-W233 HydrophobicContact CG1-CD2 3.75Å; V131-W233 HydrophobicContact CG1-CE3 3.84Å; V131-W233 HydrophobicContact CG1-CG 3.66Å; V131-W233 HydrophobicContact CG2-CB 3.88Å; V131-W233 HydrophobicContact CG2-CE3 4.28Å; V131-L234 HydrophobicContact CB-CD2 4.35Å; V131-L234 HydrophobicContact CG2-CD2 3.74Å; V131-R241 VanDerWaalsContact CG2-NE 3.34Å
132	T	98.9	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	178.1	54.8	0	0	0	0	111.3	L84 L125 C151 D152 Y153	L84-T132 HydrophobicContact CB-CG2 4.3Å; L84-T132 HydrophobicContact CD2-CG2 4.49Å; L84-T132 CarbonylContact O-C 3.55Å; L84-T132 WeakPolarHBondContact O-CA 3.24Å; L125-T132 HydrophobicContact CD1-CG2 3.86Å; T132-C151 WeakPolarHBondContact OG1-CA 3.39Å; T132-D152 PolarHBondContact N-OD2 2.87Å; T132-D152 WeakPolarHBondContact O-CA 2.95Å; T132-D152 WeakPolarHBondContact O-CB 3.35Å; T132-D152 PolarHBondContact O-N 3.33Å; T132-D152 PolarHBondContact OG1-N 3.47Å; T132-D152 PolarHBondContact OG1-OD2 3.26Å; T132-Y153 PolarHBondContact O-N 2.88Å
133	I	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.6	177	-58.5	-174.9	0	0	0	109.6	L84 I85 I86 V131 Y153 I155 A226 T229 M230	L84-I133 PolarHBondContact O-N 3.05Å; I85-I133 CarbonylContact C-O 3.59Å; I85-I133 WeakPolarHBondContact CA-O 3.46Å; I85-I133 HydrophobicContact CG1-CB 4.39Å; I86-I133 PolarHBondContact N-O 3.28Å; V131-I133 HydrophobicContact CG1-CG1 4.34Å; I133-Y153 CarbonylContact C-O 3.58Å; I133-Y153 WeakPolarHBondContact CA-O 3.46Å; I133-I155 HydrophobicContact CG2-CD1 4.47Å; I133-A226 HydrophobicContact CG2-CB 3.88Å; I133-T229 HydrophobicContact CD1-CG2 3.98Å; I133-M230 HydrophobicContact CB-CE 4.36Å; I133-M230 HydrophobicContact CD1-CB 3.99Å; I133-M230 HydrophobicContact CD1-CE 3.84Å; I133-M230 HydrophobicContact CD1-SD 4.32Å; I133-M230 HydrophobicContact CG1-CE 3.78Å
134	A	98.9	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.5	169	0	0	0	0	0	109.6	I136 C151 Y153 R154 I155	A134-I136 HydrophobicContact CB-CD1 4.35Å; A134-I136 HydrophobicContact CB-CG1 3.98Å; A134-I136 PolarHBondContact O-N 3.43Å; A134-C151 HydrophobicContact CB-CB 4.06Å; A134-Y153 PolarHBondContact N-O 3.14Å; A134-R154 HydrophobicContact CB-CG 4.24Å; A134-I155 PolarHBondContact O-N 3.1Å
135	A	98.9	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	86	171	0	0	0	0	0	108.7	I85 I86 T87 N137 V222 A226	I85-A135 HydrophobicContact CG2-CB 3.77Å; I86-A135 PolarHBondContact O-N 2.82Å; T87-A135 PolarHBondContact OG1-O 2.9Å; A135-N137 PolarHBondContact O-N 2.92Å; A135-N137 VanDerWaalsContact O-N 3.12Å; A135-V222 HydrophobicContact CB-CG1 3.77Å; A135-A226 HydrophobicContact CB-CB 3.98Å
136	I	98.9	Very high	98.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	87.8	-170.1	-51.4	158.1	0	0	0	109.6	F94 A134 G138 R154 I155 M156 A157 I164 V213	F94-I136 HydrophobicContact CB-CG2 4.07Å; F94-I136 HydrophobicContact CG-CG2 4.28Å; A134-I136 HydrophobicContact CB-CD1 4.35Å; A134-I136 HydrophobicContact CB-CG1 3.98Å; A134-I136 PolarHBondContact O-N 3.43Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 VanDerWaalsContact CG2-O 3.28Å; I136-G138 WeakPolarHBondContact CG2-O 3.44Å; I136-R154 HydrophobicContact CD1-CB 4.12Å; I136-R154 HydrophobicContact CD1-CG 4.44Å; I136-I155 PolarHBondContact N-O 3.47Å; I136-M156 HydrophobicContact CB-CB 4.09Å; I136-M156 HydrophobicContact CB-CG 4.09Å; I136-M156 HydrophobicContact CD1-CB 4.31Å; I136-M156 HydrophobicContact CG2-CB 4.48Å; I136-M156 HydrophobicContact CG2-CG 3.96Å; I136-M156 HydrophobicContact CG2-SD 4.45Å; I136-M156 WeakPolarHBondContact O-CA 3.41Å; I136-A157 PolarHBondContact O-N 3.39Å; I136-I164 HydrophobicContact CD1-CD1 4.01Å; I136-V213 HydrophobicContact CD1-CG1 4.04Å
137	N	98.6	Very high	98.4	Very high	33 Å²	33	11 Å²	11	18%	0.176	7%	0.073	C	C	.	.			trans	-92.9	19	-179.1	65.5	-28.7	0	0	0	114.2	S88 A135 Y162	S88-N137 WeakPolarHBondContact CB-OD1 3.33Å; S88-N137 PolarHBondContact N-OD1 3.11Å; S88-N137 PolarHBondContact O-ND2 3.32Å; A135-N137 PolarHBondContact O-N 2.92Å; A135-N137 VanDerWaalsContact O-N 3.12Å; N137-Y162 WeakPolarHBondContact O-CE2 3.44Å
138	G	98.6	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-171.4	179.2	-178.8	0	0	0	0	0	112.1	K92 I136	K92-G138 WeakPolarHBondContact O-CA 3.31Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 VanDerWaalsContact CG2-O 3.28Å; I136-G138 WeakPolarHBondContact CG2-O 3.44Å
139	S	98.7	Very high	98.4	Very high	27 Å²	27	9.4 Å²	9.4	19%	0.189	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-58.4	143.9	175.9	-67.3	0	0	0	0	112.2	K92 F94 S95 Y162 S163	K92-S139 PolarHBondContact O-N 3.22Å; F94-S139 PolarHBondContact N-O 3.32Å; S95-S139 PolarHBondContact N-O 3.08Å; S139-Y162 WeakPolarHBondContact OG-CA 3.38Å; S139-S163 WeakPolarHBondContact CA-O 3.44Å; S139-S163 PolarHBondContact OG-N 2.59Å
140	S	98.8	Very high	98.4	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	64.6	-173.4	-162.1	0	0	0	0	111.9	F94 G144 C145 S163 I164 G165	F94-S140 WeakPolarHBondContact CD1-OG 3.48Å; S140-G144 PolarHBondContact OG-O 3.46Å; S140-C145 WeakPolarHBondContact O-CA 3.49Å; S140-C145 VanDerWaalsContact O-CB 3.25Å; S140-C145 WeakPolarHBondContact O-CB 3.46Å; S140-C145 PolarHBondContact O-N 3.39Å; S140-C145 PolarHBondContact OG-N 2.94Å; S140-S163 PolarHBondContact N-O 3.14Å; S140-I164 WeakPolarHBondContact O-CA 3.13Å; S140-G165 PolarHBondContact O-N 3.24Å
141	P	98.2	Very high	98.5	Very high	24 Å²	24	5 Å²	5	16%	0.156	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	159.3	175.5	32	-38.5	0	0	0	113.2	S95 G143 G144 C145 G165 L201	S95-P141 VanDerWaalsContact O-CD 3.32Å; S95-P141 WeakPolarHBondContact O-CD 3.28Å; P141-G143 PolarHBondContact O-N 3.27Å; P141-G144 WeakPolarHBondContact O-CA 3.25Å; P141-G144 PolarHBondContact O-N 3.26Å; P141-C145 PolarHBondContact O-N 3.09Å; P141-G165 CarbonylContact C-O 3.58Å; P141-G165 WeakPolarHBondContact CA-O 3.31Å; P141-L201 HydrophobicContact CB-CD1 4.46Å; P141-L201 HydrophobicContact CB-CD2 3.88Å
142	A	95.4	Very high	98.5	Very high	15 Å²	15	5.8 Å²	5.8	12%	0.124	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	-115.1	169.6	0	0	0	0	0	113.2	G144 C145 L146 G165 L166 N167	A142-G144 PolarHBondContact O-N 3.16Å; A142-C145 WeakPolarHBondContact O-CA 3.32Å; A142-C145 VanDerWaalsContact O-CB 3.28Å; A142-C145 WeakPolarHBondContact O-CB 3.43Å; A142-C145 PolarHBondContact O-N 3.32Å; A142-L146 PolarHBondContact O-N 3.39Å; A142-G165 PolarHBondContact N-O 3.42Å; A142-L166 VanDerWaalsContact O-CD2 3.24Å; A142-L166 WeakPolarHBondContact O-CD2 3.22Å; A142-N167 PolarHBondContact N-OD1 2.95Å
143	G	96.8	Very high	98.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.9	-26.3	178.5	0	0	0	0	0	114.9	P141 L146 M147	P141-G143 PolarHBondContact O-N 3.27Å; G143-L146 WeakPolarHBondContact O-CB 3.44Å; G143-M147 PolarHBondContact O-N 3Å
144	G	98.4	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.1	-44.6	171.5	0	0	0	0	0	111.4	S140 P141 A142 M147 S148	S140-G144 PolarHBondContact OG-O 3.46Å; P141-G144 WeakPolarHBondContact O-CA 3.25Å; P141-G144 PolarHBondContact O-N 3.26Å; A142-G144 PolarHBondContact O-N 3.16Å; G144-M147 PolarHBondContact O-N 3.13Å; G144-S148 PolarHBondContact O-N 3.11Å
145	C	98.8	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.5	-49.5	173.1	-178.3	0	0	0	0	109.8	S140 P141 A142 M147 S148 I149 I164 G165 L166	S140-C145 WeakPolarHBondContact O-CA 3.49Å; S140-C145 VanDerWaalsContact O-CB 3.25Å; S140-C145 WeakPolarHBondContact O-CB 3.46Å; S140-C145 PolarHBondContact O-N 3.39Å; S140-C145 PolarHBondContact OG-N 2.94Å; P141-C145 PolarHBondContact O-N 3.09Å; A142-C145 WeakPolarHBondContact O-CA 3.32Å; A142-C145 VanDerWaalsContact O-CB 3.28Å; A142-C145 WeakPolarHBondContact O-CB 3.43Å; A142-C145 PolarHBondContact O-N 3.32Å; C145-M147 VanDerWaalsContact C-N 3.34Å; C145-M147 PolarHBondContact O-N 2.92Å; C145-S148 WeakPolarHBondContact O-CA 3.49Å; C145-S148 PolarHBondContact O-N 2.92Å; C145-S148 PolarHBondContact O-OG 2.95Å; C145-I149 WeakPolarHBondContact O-CG1 3.42Å; C145-I149 PolarHBondContact O-N 2.69Å; C145-I164 HydrophobicContact CB-CG1 3.97Å; C145-G165 WeakPolarHBondContact CB-O 3.39Å; C145-L166 HydrophobicContact CB-CD2 3.86Å; C145-L166 HydrophobicContact CB-CG 4.45Å
146	L	98.4	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-49.8	-55	175.1	177.4	77.4	0	0	0	111.3	M121 A142 G143 S148 I149 T150 W178 F179	M121-L146 HydrophobicContact CE-CD2 4.08Å; A142-L146 PolarHBondContact O-N 3.39Å; G143-L146 WeakPolarHBondContact O-CB 3.44Å; L146-S148 PolarHBondContact O-N 3.08Å; L146-I149 VanDerWaalsContact O-CG1 3.31Å; L146-I149 WeakPolarHBondContact O-CG1 3.33Å; L146-I149 PolarHBondContact O-N 3.44Å; L146-T150 VanDerWaalsContact O-CB 3.29Å; L146-T150 WeakPolarHBondContact O-CB 3.35Å; L146-T150 PolarHBondContact O-N 3.4Å; L146-T150 PolarHBondContact O-OG1 2.78Å; L146-W178 HydrophobicContact CD1-CZ3 4.43Å; L146-W178 HydrophobicContact CD2-CZ3 4Å; L146-F179 HydrophobicContact CB-CD2 4.09Å; L146-F179 HydrophobicContact CB-CE1 4.23Å; L146-F179 HydrophobicContact CB-CE2 3.73Å; L146-F179 HydrophobicContact CB-CG 4.48Å; L146-F179 HydrophobicContact CB-CZ 3.83Å; L146-F179 HydrophobicContact CD1-CB 4.12Å; L146-F179 HydrophobicContact CD1-CD1 3.29Å; L146-F179 HydrophobicContact CD1-CD2 3.95Å; L146-F179 HydrophobicContact CD1-CE1 3.65Å; L146-F179 HydrophobicContact CD1-CE2 4.22Å; L146-F179 HydrophobicContact CD1-CG 3.49Å; L146-F179 VanDerWaalsContact CD1-CG 3.49Å; L146-F179 HydrophobicContact CD1-CZ 4.1Å; L146-F179 HydrophobicContact CD2-CD1 3.73Å; L146-F179 HydrophobicContact CD2-CE1 3.05Å; L146-F179 HydrophobicContact CD2-CE2 4.04Å; L146-F179 HydrophobicContact CD2-CG 4.46Å; L146-F179 HydrophobicContact CD2-CZ 3.24Å; L146-F179 HydrophobicContact CG-CD1 3.94Å; L146-F179 HydrophobicContact CG-CD2 4.37Å; L146-F179 HydrophobicContact CG-CE1 3.72Å; L146-F179 HydrophobicContact CG-CE2 4.15Å; L146-F179 HydrophobicContact CG-CG 4.28Å; L146-F179 HydrophobicContact CG-CZ 3.84Å
147	M	98.5	Very high	98.5	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.015	5%	0.051	C	C	.	.	H	α-helix	trans	-55.7	-39.5	-178.1	-176.9	180	-72	0	0	111.1	M52 L60 I68 I86 F94 M121 L125 G143 G144 C145 T150 C151	M52-M147 HydrophobicContact CE-SD 4.18Å; M52-M147 HydrophobicContact SD-CE 4.27Å; M52-M147 HydrophobicContact SD-SD 3.64Å; M52-M147 VanDerWaalsContact SD-SD 3.64Å; L60-M147 HydrophobicContact CD1-CE 4.29Å; L60-M147 HydrophobicContact CD2-CE 3.67Å; I68-M147 HydrophobicContact CD1-CE 3.8Å; I86-M147 HydrophobicContact CG2-SD 4.22Å; F94-M147 HydrophobicContact CE1-CG 4.43Å; F94-M147 HydrophobicContact CE1-SD 4.18Å; F94-M147 HydrophobicContact CZ-SD 4.37Å; M121-M147 HydrophobicContact CE-CE 4.27Å; M121-M147 HydrophobicContact SD-CE 4.16Å; L125-M147 HydrophobicContact CD2-CG 3.85Å; G143-M147 PolarHBondContact O-N 3Å; G144-M147 PolarHBondContact O-N 3.13Å; C145-M147 VanDerWaalsContact C-N 3.34Å; C145-M147 PolarHBondContact O-N 2.92Å; M147-T150 WeakPolarHBondContact O-CB 3.33Å; M147-C151 PolarHBondContact O-SG 2.75Å; M147-C151 VanDerWaalsContact O-SG 3.4Å
148	S	98.7	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.5	-45	178.1	73.3	0	0	0	0	114	G144 C145 L146 T150 C151 R154 I164	G144-S148 PolarHBondContact O-N 3.11Å; C145-S148 WeakPolarHBondContact O-CA 3.49Å; C145-S148 PolarHBondContact O-N 2.92Å; C145-S148 PolarHBondContact O-OG 2.95Å; L146-S148 PolarHBondContact O-N 3.08Å; S148-T150 PolarHBondContact O-N 3.12Å; S148-C151 WeakPolarHBondContact O-CB 3.32Å; S148-C151 PolarHBondContact O-N 3.5Å; S148-C151 VanDerWaalsContact O-N 3.08Å; S148-R154 WeakPolarHBondContact O-CD 3.31Å; S148-R154 VanDerWaalsContact O-CG 3.27Å; S148-R154 WeakPolarHBondContact O-CG 3.46Å; S148-I164 VanDerWaalsContact OG-CD1 3.31Å; S148-I164 WeakPolarHBondContact OG-CD1 3.38Å
149	I	98.6	Very high	98.4	Very high	2 Å²	2	13 Å²	13	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-72.2	-14.6	177.6	65.3	173.4	0	0	0	112.9	C145 L146 C151 T182 M183 T186 L212	C145-I149 WeakPolarHBondContact O-CG1 3.42Å; C145-I149 PolarHBondContact O-N 2.69Å; L146-I149 VanDerWaalsContact O-CG1 3.31Å; L146-I149 WeakPolarHBondContact O-CG1 3.33Å; L146-I149 PolarHBondContact O-N 3.44Å; I149-C151 VanDerWaalsContact C-N 3.31Å; I149-T182 HydrophobicContact CB-CG2 4.27Å; I149-T182 HydrophobicContact CD1-CG2 3.81Å; I149-T182 HydrophobicContact CG1-CG2 3.69Å; I149-M183 HydrophobicContact CD1-CB 4.16Å; I149-T186 HydrophobicContact CG2-CG2 4.31Å; I149-L212 HydrophobicContact CG2-CD1 3.62Å
150	T	98.7	Very high	98.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-74.6	-24.3	171.5	-58.4	0	0	0	0	111.9	L125 Y126 L146 M147 S148 R249	L125-T150 HydrophobicContact CB-CG2 3.68Å; L125-T150 HydrophobicContact CD2-CG2 3.84Å; L125-T150 HydrophobicContact CG-CG2 3.62Å; Y126-T150 HydrophobicContact CD2-CG2 3.78Å; Y126-T150 HydrophobicContact CG-CG2 4.1Å; L146-T150 VanDerWaalsContact O-CB 3.29Å; L146-T150 WeakPolarHBondContact O-CB 3.35Å; L146-T150 PolarHBondContact O-N 3.4Å; L146-T150 PolarHBondContact O-OG1 2.78Å; M147-T150 WeakPolarHBondContact O-CB 3.33Å; S148-T150 PolarHBondContact O-N 3.12Å; T150-R249 PolarHBondContact O-NH1 3.05Å; T150-R249 PolarHBondContact O-NH2 3.28Å
151	C	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-71.3	162.8	177	-65.5	0	0	0	0	112.5	T132 A134 M147 S148 I149 R154 R249	T132-C151 WeakPolarHBondContact OG1-CA 3.39Å; A134-C151 HydrophobicContact CB-CB 4.06Å; M147-C151 PolarHBondContact O-SG 2.75Å; M147-C151 VanDerWaalsContact O-SG 3.4Å; S148-C151 WeakPolarHBondContact O-CB 3.32Å; S148-C151 PolarHBondContact O-N 3.5Å; S148-C151 VanDerWaalsContact O-N 3.08Å; I149-C151 VanDerWaalsContact C-N 3.31Å; C151-R154 PolarHBondContact O-NH1 2.47Å; C151-R154 VanDerWaalsContact O-NH1 3.15Å; C151-R249 PolarHBondContact O-NH2 2.86Å
152	D	98.9	Very high	98.3	Very high	17 Å²	17	23 Å²	23	9%	0.091	11%	0.112	C	C	.	.	S	Bend	trans	-73.3	-32.8	177	-61.3	-42.7	0	0	0	112.3	V131 T132 W233 K245 R249	V131-D152 WeakPolarHBondContact CA-OD2 3.49Å; T132-D152 PolarHBondContact N-OD2 2.87Å; T132-D152 WeakPolarHBondContact O-CA 2.95Å; T132-D152 WeakPolarHBondContact O-CB 3.35Å; T132-D152 PolarHBondContact O-N 3.33Å; T132-D152 PolarHBondContact OG1-N 3.47Å; T132-D152 PolarHBondContact OG1-OD2 3.26Å; D152-W233 HydrophobicContact CB-CE3 4.49Å; D152-W233 HydrophobicContact CB-CH2 3.66Å; D152-W233 HydrophobicContact CB-CZ2 4.14Å; D152-W233 HydrophobicContact CB-CZ3 3.85Å; D152-K245 WeakPolarHBondContact OD1-CD 3.36Å; D152-K245 WeakPolarHBondContact OD1-CE 3.45Å; D152-K245 IonicContact OD1-NZ 3.28Å; D152-K245 PolarHBondContact OD1-NZ 2.88Å; D152-K245 IonicContact OD2-NZ 3.05Å; D152-K245 PolarHBondContact OD2-NZ 2.98Å; D152-R249 IonicContact OD1-CZ 3.53Å; D152-R249 IonicContact OD1-NH1 2.58Å; D152-R249 IonicContact OD1-NH2 3.11Å; D152-R249 PolarHBondContact OD1-NH2 3.04Å
153	Y	98.9	Very high	98.5	Very high	57 Å²	57	23.1 Å²	23.1	22%	0.224	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.5	179.2	-156.5	-104.8	0	0	0	111.9	T132 I133 A134 I155 D214 Q215 T229 W233	T132-Y153 PolarHBondContact O-N 2.88Å; I133-Y153 CarbonylContact C-O 3.58Å; I133-Y153 WeakPolarHBondContact CA-O 3.46Å; A134-Y153 PolarHBondContact N-O 3.14Å; Y153-I155 HydrophobicContact CD1-CD1 4.17Å; Y153-I155 HydrophobicContact CD1-CG1 3.74Å; Y153-I155 HydrophobicContact CE1-CD1 4.12Å; Y153-I155 HydrophobicContact CE1-CG1 3.73Å; Y153-D214 WeakPolarHBondContact CA-OD2 3.5Å; Y153-D214 HydrophobicContact CD1-CB 4.37Å; Y153-D214 HydrophobicContact CD2-CB 3.86Å; Y153-D214 WeakPolarHBondContact CD2-OD2 3.45Å; Y153-D214 HydrophobicContact CE1-CB 3.91Å; Y153-D214 HydrophobicContact CE2-CB 3.32Å; Y153-D214 HydrophobicContact CG-CB 4.35Å; Y153-Q215 HydrophobicContact CE1-CB 4.31Å; Y153-T229 HydrophobicContact CD1-CG2 3.67Å; Y153-T229 HydrophobicContact CE1-CG2 3.78Å; Y153-T229 HydrophobicContact CG-CG2 4.24Å; Y153-W233 HydrophobicContact CD2-CZ2 4.16Å
154	R	98.9	Very high	98.6	Very high	22 Å²	22	23.1 Å²	23.1	8%	0.083	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.9	-174.7	-66.7	155.3	-65.7	-69.7	-8.4	110.6	A134 I136 S148 C151 L212 V213 D214 Q215	A134-R154 HydrophobicContact CB-CG 4.24Å; I136-R154 HydrophobicContact CD1-CB 4.12Å; I136-R154 HydrophobicContact CD1-CG 4.44Å; S148-R154 WeakPolarHBondContact O-CD 3.31Å; S148-R154 VanDerWaalsContact O-CG 3.27Å; S148-R154 WeakPolarHBondContact O-CG 3.46Å; C151-R154 PolarHBondContact O-NH1 2.47Å; C151-R154 VanDerWaalsContact O-NH1 3.15Å; R154-L212 WeakPolarHBondContact CD-O 3.46Å; R154-L212 PolarHBondContact NE-O 3.47Å; R154-V213 HydrophobicContact CB-CB 4.3Å; R154-V213 HydrophobicContact CB-CG1 4.37Å; R154-D214 IonicContact CZ-OD1 3.32Å; R154-D214 IonicContact CZ-OD2 3.38Å; R154-D214 VanDerWaalsContact CZ-OD2 3.25Å; R154-D214 PolarHBondContact N-OD2 2.93Å; R154-D214 IonicContact NE-OD1 3.53Å; R154-D214 IonicContact NE-OD2 2.92Å; R154-D214 IonicContact NH1-OD2 2.82Å; R154-D214 IonicContact NH2-OD1 3.44Å; R154-D214 PolarHBondContact NH2-OD1 2.93Å; R154-D214 IonicContact NH2-OD2 3.16Å; R154-D214 PolarHBondContact NH2-OD2 3.41Å; R154-D214 WeakPolarHBondContact O-CB 3.46Å; R154-D214 PolarHBondContact O-N 3.29Å; R154-Q215 PolarHBondContact O-N 3.43Å
155	I	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.1	174.6	-53.8	-179	0	0	0	107.4	I133 A134 I136 Y153 Q215 V217 V222 A225 A226	I133-I155 HydrophobicContact CG2-CD1 4.47Å; A134-I155 PolarHBondContact O-N 3.1Å; I136-I155 PolarHBondContact N-O 3.47Å; Y153-I155 HydrophobicContact CD1-CD1 4.17Å; Y153-I155 HydrophobicContact CD1-CG1 3.74Å; Y153-I155 HydrophobicContact CE1-CD1 4.12Å; Y153-I155 HydrophobicContact CE1-CG1 3.73Å; I155-Q215 WeakPolarHBondContact CA-O 3.4Å; I155-Q215 HydrophobicContact CG1-CB 4.21Å; I155-Q215 HydrophobicContact CG2-CB 4.32Å; I155-Q215 HydrophobicContact CG2-CG 4.45Å; I155-V217 HydrophobicContact CG2-CG1 4.33Å; I155-V217 HydrophobicContact CG2-CG2 3.72Å; I155-V222 HydrophobicContact CG2-CG1 4.36Å; I155-A225 HydrophobicContact CD1-CB 4.06Å; I155-A225 HydrophobicContact CG2-CB 4.17Å; I155-A226 HydrophobicContact CD1-CB 4.13Å
156	M	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143	-177.6	-174.3	175.3	-178.3	0	0	111.7	I136 D158 I164 P204 V213 Q215 L216 V217	I136-M156 HydrophobicContact CB-CB 4.09Å; I136-M156 HydrophobicContact CB-CG 4.09Å; I136-M156 HydrophobicContact CD1-CB 4.31Å; I136-M156 HydrophobicContact CG2-CB 4.48Å; I136-M156 HydrophobicContact CG2-CG 3.96Å; I136-M156 HydrophobicContact CG2-SD 4.45Å; I136-M156 WeakPolarHBondContact O-CA 3.41Å; M156-D158 PolarHBondContact O-N 2.92Å; M156-I164 HydrophobicContact CE-CB 4.36Å; M156-I164 HydrophobicContact CE-CG2 4.15Å; M156-I164 HydrophobicContact SD-CB 4.31Å; M156-I164 HydrophobicContact SD-CG2 3.71Å; M156-P204 HydrophobicContact CE-CG 4.12Å; M156-V213 HydrophobicContact CB-CB 4.34Å; M156-V213 HydrophobicContact CB-CG1 4.03Å; M156-V213 HydrophobicContact CB-CG2 4.39Å; M156-V213 HydrophobicContact SD-CG1 4.11Å; M156-Q215 PolarHBondContact N-O 3.3Å; M156-L216 HydrophobicContact CB-CD2 3.89Å; M156-L216 HydrophobicContact CG-CD2 4.47Å; M156-L216 WeakPolarHBondContact O-CA 3.35Å; M156-V217 PolarHBondContact O-N 3.41Å; M156-V217 VanDerWaalsContact O-N 3.15Å
157	A	98.8	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.8	168.8	0	0	0	0	0	110.5	I136 N159 Y162 V217 E219 V222	I136-A157 PolarHBondContact O-N 3.39Å; A157-N159 PolarHBondContact O-N 3.27Å; A157-Y162 HydrophobicContact CB-CD2 3.85Å; A157-Y162 HydrophobicContact CB-CE2 3.94Å; A157-V217 CarbonylContact C-O 3.53Å; A157-V217 WeakPolarHBondContact CA-O 3.32Å; A157-E219 HydrophobicContact CB-CB 4.01Å; A157-E219 HydrophobicContact CB-CG 4.14Å; A157-V222 HydrophobicContact CB-CG2 3.72Å
158	D	98.6	Very high	98.5	Very high	94 Å²	94	24.3 Å²	24.3	50%	0.503	12%	0.118	S	C	.	.			trans	-78.1	68	174.1	-166.2	16.1	0	0	0	110.7	M156 L216 V217	M156-D158 PolarHBondContact O-N 2.92Å; D158-L216 HydrophobicContact CB-CB 4.18Å; D158-V217 PolarHBondContact N-O 3.27Å
159	N	98.3	Very high	98.4	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.064	13%	0.133	C	C	.	.			trans	-122.7	118.8	178.9	-170.6	-33.1	0	0	0	109.4	A157 R161 Y162 P204 E219	A157-N159 PolarHBondContact O-N 3.27Å; N159-R161 PolarHBondContact ND2-NH2 3.49Å; N159-R161 PolarHBondContact O-N 3.05Å; N159-R161 VanDerWaalsContact OD1-CB 3.31Å; N159-R161 WeakPolarHBondContact OD1-CB 3.44Å; N159-R161 WeakPolarHBondContact OD1-CG 3.24Å; N159-R161 PolarHBondContact OD1-N 2.92Å; N159-Y162 HydrophobicContact CB-CD2 3.56Å; N159-Y162 HydrophobicContact CB-CE2 3.72Å; N159-Y162 HydrophobicContact CB-CG 4.1Å; N159-Y162 PolarHBondContact O-N 3.45Å; N159-P204 VanDerWaalsContact O-CG 3.31Å; N159-P204 WeakPolarHBondContact O-CG 3.38Å; N159-E219 PolarHBondContact ND2-OE2 2.99Å
160	P	97.7	Very high	98.1	Very high	97 Å²	97	32.6 Å²	32.6	63%	0.63	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.8	-177.5	27.1	-35.9	0	0	0	113.7	Y162 K203	P160-Y162 VanDerWaalsContact C-N 3.31Å; P160-K203 WeakPolarHBondContact O-CD 3.39Å; P160-K203 WeakPolarHBondContact O-CE 3.3Å; P160-K203 PolarHBondContact O-NZ 3.28Å
161	R	97.4	Very high	97.8	Very high	161 Å²	161	33.4 Å²	33.4	61%	0.608	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.3	171.8	-62.9	-172.6	-65.6	-93.3	3.9	112.8	N159	N159-R161 PolarHBondContact ND2-NH2 3.49Å; N159-R161 PolarHBondContact O-N 3.05Å; N159-R161 VanDerWaalsContact OD1-CB 3.31Å; N159-R161 WeakPolarHBondContact OD1-CB 3.44Å; N159-R161 WeakPolarHBondContact OD1-CG 3.24Å; N159-R161 PolarHBondContact OD1-N 2.92Å
162	Y	98.6	Very high	97.4	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.012	18%	0.184	C	C	.	.			trans	-88.5	154.9	-180	-56.7	-23.1	0	0	0	111.2	K92 N137 S139 A157 N159 P160 K203 E219	K92-Y162 WeakPolarHBondContact CA-OH 3.36Å; K92-Y162 HydrophobicContact CB-CE1 3.77Å; K92-Y162 HydrophobicContact CG-CE1 4.25Å; K92-Y162 WeakPolarHBondContact O-CE1 3.36Å; N137-Y162 WeakPolarHBondContact O-CE2 3.44Å; S139-Y162 WeakPolarHBondContact OG-CA 3.38Å; A157-Y162 HydrophobicContact CB-CD2 3.85Å; A157-Y162 HydrophobicContact CB-CE2 3.94Å; N159-Y162 HydrophobicContact CB-CD2 3.56Å; N159-Y162 HydrophobicContact CB-CE2 3.72Å; N159-Y162 HydrophobicContact CB-CG 4.1Å; N159-Y162 PolarHBondContact O-N 3.45Å; P160-Y162 VanDerWaalsContact C-N 3.31Å; Y162-K203 WeakPolarHBondContact O-CD 3.33Å; Y162-E219 HydrophobicContact CE2-CG 4.21Å; Y162-E219 PolarHBondContact OH-OE1 2.95Å; Y162-E219 PolarHBondContact OH-OE2 3.33Å
163	S	98.8	Very high	97.1	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	18%	0.184	C	C	.	.			trans	-152.9	154.1	175.9	59	0	0	0	0	111	S139 S140 Y202	S139-S163 WeakPolarHBondContact CA-O 3.44Å; S139-S163 PolarHBondContact OG-N 2.59Å; S140-S163 PolarHBondContact N-O 3.14Å; S163-Y202 CarbonylContact C-O 3.56Å; S163-Y202 WeakPolarHBondContact CA-O 3.28Å; S163-Y202 WeakPolarHBondContact CB-O 3.36Å
164	I	98.9	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.2	-178.9	178.3	167.2	0	0	0	110	I136 S140 C145 S148 M156 Y202 A207 L212 V213	I136-I164 HydrophobicContact CD1-CD1 4.01Å; S140-I164 WeakPolarHBondContact O-CA 3.13Å; C145-I164 HydrophobicContact CB-CG1 3.97Å; S148-I164 VanDerWaalsContact OG-CD1 3.31Å; S148-I164 WeakPolarHBondContact OG-CD1 3.38Å; M156-I164 HydrophobicContact CE-CB 4.36Å; M156-I164 HydrophobicContact CE-CG2 4.15Å; M156-I164 HydrophobicContact SD-CB 4.31Å; M156-I164 HydrophobicContact SD-CG2 3.71Å; I164-Y202 PolarHBondContact N-O 3.42Å; I164-Y202 PolarHBondContact O-N 2.8Å; I164-A207 HydrophobicContact CG2-CB 3.59Å; I164-L212 HydrophobicContact CD1-CG 4.47Å; I164-L212 HydrophobicContact CG1-CD2 4.15Å; I164-L212 HydrophobicContact CG1-CG 4.48Å; I164-L212 HydrophobicContact CG2-CD2 4.03Å; I164-V213 HydrophobicContact CD1-CG1 4.13Å; I164-V213 HydrophobicContact CG2-CG1 4.37Å
165	G	98.8	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.1	168.1	176.4	0	0	0	0	0	113	S140 P141 A142 C145 L200	S140-G165 PolarHBondContact O-N 3.24Å; P141-G165 CarbonylContact C-O 3.58Å; P141-G165 WeakPolarHBondContact CA-O 3.31Å; A142-G165 PolarHBondContact N-O 3.42Å; C145-G165 WeakPolarHBondContact CB-O 3.39Å; G165-L200 WeakPolarHBondContact CA-O 3.5Å
166	L	98.4	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.209	C	C	.	.			trans	-96	101.1	175.9	-68.6	-173.6	0	0	0	108.4	A142 C145 E168 F179 M183 L196	A142-L166 VanDerWaalsContact O-CD2 3.24Å; A142-L166 WeakPolarHBondContact O-CD2 3.22Å; C145-L166 HydrophobicContact CB-CD2 3.86Å; C145-L166 HydrophobicContact CB-CG 4.45Å; L166-E168 VanDerWaalsContact CA-OE2 3.22Å; L166-E168 WeakPolarHBondContact CA-OE2 3.47Å; L166-E168 VanDerWaalsContact CB-OE2 3.25Å; L166-E168 WeakPolarHBondContact CB-OE2 3.48Å; L166-F179 HydrophobicContact CD1-CB 4.25Å; L166-F179 HydrophobicContact CD1-CD2 4.23Å; L166-F179 HydrophobicContact CD2-CD2 3.82Å; L166-F179 HydrophobicContact CD2-CE2 4.23Å; L166-M183 HydrophobicContact CB-SD 4.29Å; L166-M183 HydrophobicContact CD1-CB 4.16Å; L166-M183 HydrophobicContact CD1-SD 3.77Å; L166-M183 HydrophobicContact CG-SD 4.12Å; L166-L196 HydrophobicContact CB-CD2 3.5Å; L166-L196 HydrophobicContact CD1-CD2 3.77Å; L166-L196 HydrophobicContact CG-CD2 4.27Å
167	N	97.3	Very high	96.7	Very high	14 Å²	14	39.9 Å²	39.9	8%	0.075	22%	0.219	C	C	.	.			trans	-110	23.3	-172.7	74.1	-53.8	0	0	0	113.8	A142 T169 M170 L171 G199 L201	A142-N167 PolarHBondContact N-OD1 2.95Å; N167-T169 PolarHBondContact O-N 3.01Å; N167-M170 HydrophobicContact CB-CG 4.32Å; N167-M170 VanDerWaalsContact O-CB 3.3Å; N167-M170 WeakPolarHBondContact O-CB 3.35Å; N167-M170 PolarHBondContact O-N 3.37Å; N167-L171 WeakPolarHBondContact O-CD1 3.22Å; N167-G199 VanDerWaalsContact CB-O 3.25Å; N167-G199 WeakPolarHBondContact CB-O 3.48Å; N167-L201 HydrophobicContact CB-CD2 3.91Å; N167-L201 HydrophobicContact CB-CG 4.01Å
168	E	97.4	Very high	96.6	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.061	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-51.1	-40.4	-178	-76.9	81.6	177.3	0	0	112.9	L166 M170 L171 G172 I173 A175 F179	L166-E168 VanDerWaalsContact CA-OE2 3.22Å; L166-E168 WeakPolarHBondContact CA-OE2 3.47Å; L166-E168 VanDerWaalsContact CB-OE2 3.25Å; L166-E168 WeakPolarHBondContact CB-OE2 3.48Å; E168-M170 PolarHBondContact O-N 3.22Å; E168-L171 WeakPolarHBondContact O-CA 3.26Å; E168-L171 WeakPolarHBondContact O-CB 3.26Å; E168-L171 PolarHBondContact O-N 2.93Å; E168-G172 PolarHBondContact O-N 2.89Å; E168-I173 CarbonylContact C-O 3.48Å; E168-I173 HydrophobicContact CB-CD1 4.47Å; E168-I173 HydrophobicContact CB-CG1 3.92Å; E168-I173 HydrophobicContact CG-CD1 4.33Å; E168-I173 HydrophobicContact CG-CG1 4.31Å; E168-I173 CarbonylContact O-C 3.59Å; E168-I173 VanDerWaalsContact O-CG1 3.23Å; E168-I173 WeakPolarHBondContact O-CG1 3.1Å; E168-I173 PolarHBondContact O-N 3.32Å; E168-I173 VanDerWaalsContact O-N 3.15Å; E168-I173 VanDerWaalsContact O-O 3.06Å; E168-A175 HydrophobicContact CG-CB 4.29Å; E168-F179 WeakPolarHBondContact OE1-CD2 3.31Å; E168-F179 WeakPolarHBondContact OE1-CE2 3.39Å
169	T	96.6	Very high	96.6	Very high	51 Å²	51	35.5 Å²	35.5	31%	0.313	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63.8	-28.2	-179.9	45.5	0	0	0	0	113.1	N167 L171 G172 I173 L196 G199	N167-T169 PolarHBondContact O-N 3.01Å; T169-L171 PolarHBondContact O-N 2.82Å; T169-G172 PolarHBondContact O-N 3.2Å; T169-I173 VanDerWaalsContact CA-O 3.3Å; T169-I173 WeakPolarHBondContact CA-O 3.46Å; T169-I173 PolarHBondContact N-O 2.88Å; T169-L196 WeakPolarHBondContact CG2-O 3.5Å; T169-L196 PolarHBondContact OG1-O 3.42Å; T169-G199 VanDerWaalsContact OG1-CA 3.26Å; T169-G199 WeakPolarHBondContact OG1-CA 3.45Å; T169-G199 PolarHBondContact OG1-N 2.97Å
170	M	92.9	Very high	96.6	Very high	125 Å²	125	38.4 Å²	38.4	62%	0.616	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-67.4	-17.3	173.5	-59.8	-59.5	-67.3	0	0	113	N167 E168	N167-M170 HydrophobicContact CB-CG 4.32Å; N167-M170 VanDerWaalsContact O-CB 3.3Å; N167-M170 WeakPolarHBondContact O-CB 3.35Å; N167-M170 PolarHBondContact O-N 3.37Å; E168-M170 PolarHBondContact O-N 3.22Å
171	L	91.3	Very high	96.6	Very high	18 Å²	18	35 Å²	35	9%	0.094	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-98.5	-0.6	175.4	-74.2	68.4	0	0	0	111.8	I100 N167 E168 T169 I173 S279 Y283	I100-L171 HydrophobicContact CD1-CD2 3.67Å; I100-L171 HydrophobicContact CG1-CD2 4.42Å; N167-L171 WeakPolarHBondContact O-CD1 3.22Å; E168-L171 WeakPolarHBondContact O-CA 3.26Å; E168-L171 WeakPolarHBondContact O-CB 3.26Å; E168-L171 PolarHBondContact O-N 2.93Å; T169-L171 PolarHBondContact O-N 2.82Å; L171-I173 VanDerWaalsContact C-N 3.28Å; L171-I173 HydrophobicContact CB-CD1 4.41Å; L171-I173 HydrophobicContact CB-CG1 3.96Å; L171-I173 HydrophobicContact CD2-CD1 4.39Å; L171-S279 WeakPolarHBondContact O-CB 3.46Å; L171-Y283 HydrophobicContact CD1-CD2 4.07Å; L171-Y283 HydrophobicContact CD1-CE1 4.24Å; L171-Y283 HydrophobicContact CD1-CE2 3.59Å; L171-Y283 HydrophobicContact CD2-CD1 3.92Å; L171-Y283 HydrophobicContact CD2-CE1 3.72Å; L171-Y283 HydrophobicContact CD2-CE2 4.46Å; L171-Y283 HydrophobicContact CD2-CG 4.34Å; L171-Y283 HydrophobicContact CG-CD1 3.87Å; L171-Y283 HydrophobicContact CG-CD2 3.7Å; L171-Y283 HydrophobicContact CG-CE1 3.82Å; L171-Y283 HydrophobicContact CG-CE2 3.69Å; L171-Y283 HydrophobicContact CG-CG 3.79Å
172	G	90.4	Very high	96.7	Very high	36 Å²	36	27.3 Å²	27.3	37%	0.371	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	17.3	-172.5	0	0	0	0	0	113.8	E168 T169 I276	E168-G172 PolarHBondContact O-N 2.89Å; T169-G172 PolarHBondContact O-N 3.2Å; G172-I276 WeakPolarHBondContact O-CD1 3.44Å
173	I	94.4	Very high	96.7	Very high	19 Å²	19	27.2 Å²	27.2	10%	0.097	15%	0.154	C	C	.	.			trans	-114.6	176.4	174.8	62.7	171.9	0	0	0	110.4	E168 T169 L171 F270 I271 I276 L280	E168-I173 CarbonylContact C-O 3.48Å; E168-I173 HydrophobicContact CB-CD1 4.47Å; E168-I173 HydrophobicContact CB-CG1 3.92Å; E168-I173 HydrophobicContact CG-CD1 4.33Å; E168-I173 HydrophobicContact CG-CG1 4.31Å; E168-I173 CarbonylContact O-C 3.59Å; E168-I173 VanDerWaalsContact O-CG1 3.23Å; E168-I173 WeakPolarHBondContact O-CG1 3.1Å; E168-I173 PolarHBondContact O-N 3.32Å; E168-I173 VanDerWaalsContact O-N 3.15Å; E168-I173 VanDerWaalsContact O-O 3.06Å; T169-I173 VanDerWaalsContact CA-O 3.3Å; T169-I173 WeakPolarHBondContact CA-O 3.46Å; T169-I173 PolarHBondContact N-O 2.88Å; L171-I173 VanDerWaalsContact C-N 3.28Å; L171-I173 HydrophobicContact CB-CD1 4.41Å; L171-I173 HydrophobicContact CB-CG1 3.96Å; L171-I173 HydrophobicContact CD2-CD1 4.39Å; I173-F270 HydrophobicContact CB-CE1 4.07Å; I173-F270 HydrophobicContact CG2-CE1 4.04Å; I173-I271 HydrophobicContact CG2-CD1 4.21Å; I173-I276 HydrophobicContact CG2-CG2 3.93Å; I173-L280 HydrophobicContact CG2-CD2 4.08Å
174	V	94.3	Very high	96.7	Very high	91 Å²	91	28.2 Å²	28.2	55%	0.552	16%	0.16	S	C	*	.			trans	-125.8	141.8	-176.8	-62.7	0	0	0	0	110.7	F270	V174-F270 HydrophobicContact CG2-CE1 4.41Å; V174-F270 HydrophobicContact CG2-CZ 4.29Å
175	A	96.3	Very high	96.7	Very high	20 Å²	20	32.6 Å²	32.6	17%	0.165	18%	0.183	C	C	.	.			trans	-63.9	130.9	168.6	0	0	0	0	0	108.9	E168 F179 L196	E168-A175 HydrophobicContact CG-CB 4.29Å; A175-F179 HydrophobicContact CB-CB 3.97Å; A175-F179 HydrophobicContact CB-CD2 4.3Å; A175-L196 HydrophobicContact CB-CD2 3.96Å
176	P	96.8	Very high	96.7	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	19%	0.193	C	C	.	.			trans	-66.4	162.3	178.4	31.4	-39.2	0	0	0	111.1	W115 W178 F179 K180	W115-P176 HydrophobicContact CH2-CB 4.04Å; W115-P176 HydrophobicContact CH2-CG 3.67Å; W115-P176 HydrophobicContact CZ2-CB 3.63Å; W115-P176 HydrophobicContact CZ2-CG 3.69Å; P176-W178 HydrophobicContact CB-CD2 4.4Å; P176-W178 HydrophobicContact CB-CZ2 4.29Å; P176-W178 HydrophobicContact CG-CD2 4.03Å; P176-W178 HydrophobicContact CG-CH2 4.34Å; P176-W178 HydrophobicContact CG-CZ2 3.73Å; P176-W178 PolarHBondContact O-N 3.25Å; P176-F179 HydrophobicContact CG-CB 3.97Å; P176-F179 HydrophobicContact CG-CD1 3.33Å; P176-F179 HydrophobicContact CG-CD2 4.49Å; P176-F179 HydrophobicContact CG-CE1 3.82Å; P176-F179 HydrophobicContact CG-CG 3.7Å; P176-F179 WeakPolarHBondContact O-CB 3.43Å; P176-F179 PolarHBondContact O-N 2.94Å; P176-K180 PolarHBondContact O-N 3.35Å
177	F	98.1	Very high	96.7	Very high	49 Å²	49	34.9 Å²	34.9	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-30.6	-169.9	74	-95.2	0	0	0	113.3	K180 E181 K255 L256 D263	F177-K180 WeakPolarHBondContact O-CE 3.3Å; F177-E181 WeakPolarHBondContact O-CB 3.5Å; F177-E181 VanDerWaalsContact O-CG 3.29Å; F177-E181 WeakPolarHBondContact O-CG 3.47Å; F177-E181 PolarHBondContact O-N 3.37Å; F177-K255 HydrophobicContact CD2-CD 4.18Å; F177-K255 HydrophobicContact CE2-CB 4.39Å; F177-K255 HydrophobicContact CE2-CD 3.88Å; F177-K255 HydrophobicContact CE2-CG 3.79Å; F177-K255 HydrophobicContact CZ-CG 4.4Å; F177-L256 HydrophobicContact CE1-CD1 4.37Å; F177-L256 HydrophobicContact CZ-CB 4.31Å; F177-L256 HydrophobicContact CZ-CD1 4.02Å; F177-D263 HydrophobicContact CE1-CB 4.29Å; F177-D263 WeakPolarHBondContact CE1-OD1 3.45Å
178	W	98.2	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-83	-26.6	-178.7	49.1	-92.6	0	0	0	113	W115 V118 Q119 W122 L146 P176 T182 L256 D263	W115-W178 HydrophobicContact CH2-CZ2 4.22Å; W115-W178 AromaticContact CZ2-CZ2 3.7Å; W115-W178 HydrophobicContact CZ2-CZ2 3.7Å; V118-W178 HydrophobicContact CG1-CH2 3.61Å; V118-W178 HydrophobicContact CG1-CZ2 4.15Å; Q119-W178 HydrophobicContact CG-CZ2 3.93Å; W122-W178 HydrophobicContact CB-CE3 4.07Å; W122-W178 HydrophobicContact CB-CH2 4.2Å; W122-W178 HydrophobicContact CB-CZ3 3.44Å; W122-W178 VanDerWaalsContact CB-CZ3 3.44Å; W122-W178 AromaticContact CD1-CE3 3.78Å; W122-W178 AromaticContact CD1-CZ3 3.73Å; W122-W178 AromaticContact CD2-CE3 3.63Å; W122-W178 HydrophobicContact CD2-CE3 3.63Å; W122-W178 AromaticContact CD2-CZ3 3.98Å; W122-W178 HydrophobicContact CD2-CZ3 3.98Å; W122-W178 AromaticContact CE2-CE3 3.92Å; W122-W178 HydrophobicContact CE3-CE3 4.2Å; W122-W178 AromaticContact CG-CE3 3.54Å; W122-W178 HydrophobicContact CG-CE3 3.54Å; W122-W178 AromaticContact CG-CZ3 3.4Å; W122-W178 HydrophobicContact CG-CZ3 3.4Å; W122-W178 HydrophobicContact CH2-CB 4.33Å; W122-W178 HydrophobicContact CZ2-CB 4.28Å; W122-W178 AromaticContact NE1-CE3 3.96Å; L146-W178 HydrophobicContact CD1-CZ3 4.43Å; L146-W178 HydrophobicContact CD2-CZ3 4Å; P176-W178 HydrophobicContact CB-CD2 4.4Å; P176-W178 HydrophobicContact CB-CZ2 4.29Å; P176-W178 HydrophobicContact CG-CD2 4.03Å; P176-W178 HydrophobicContact CG-CH2 4.34Å; P176-W178 HydrophobicContact CG-CZ2 3.73Å; P176-W178 PolarHBondContact O-N 3.25Å; W178-T182 WeakPolarHBondContact O-CB 3.25Å; W178-T182 PolarHBondContact O-N 2.95Å; W178-T182 VanDerWaalsContact O-N 3.08Å; W178-T182 PolarHBondContact O-OG1 3.02Å; W178-L256 HydrophobicContact CD2-CD2 4.07Å; W178-L256 HydrophobicContact CE3-CD2 4.5Å; W178-L256 HydrophobicContact CG-CD1 4.19Å; W178-L256 HydrophobicContact CG-CD2 4.05Å; W178-D263 PolarHBondContact NE1-OD2 3.33Å
179	F	97.5	Very high	96.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-53	161.6	-87.7	43.9	0	0	0	109.5	L146 L166 E168 A175 P176 E181 T182 M183	L146-F179 HydrophobicContact CB-CD2 4.09Å; L146-F179 HydrophobicContact CB-CE1 4.23Å; L146-F179 HydrophobicContact CB-CE2 3.73Å; L146-F179 HydrophobicContact CB-CG 4.48Å; L146-F179 HydrophobicContact CB-CZ 3.83Å; L146-F179 HydrophobicContact CD1-CB 4.12Å; L146-F179 HydrophobicContact CD1-CD1 3.29Å; L146-F179 HydrophobicContact CD1-CD2 3.95Å; L146-F179 HydrophobicContact CD1-CE1 3.65Å; L146-F179 HydrophobicContact CD1-CE2 4.22Å; L146-F179 HydrophobicContact CD1-CG 3.49Å; L146-F179 VanDerWaalsContact CD1-CG 3.49Å; L146-F179 HydrophobicContact CD1-CZ 4.1Å; L146-F179 HydrophobicContact CD2-CD1 3.73Å; L146-F179 HydrophobicContact CD2-CE1 3.05Å; L146-F179 HydrophobicContact CD2-CE2 4.04Å; L146-F179 HydrophobicContact CD2-CG 4.46Å; L146-F179 HydrophobicContact CD2-CZ 3.24Å; L146-F179 HydrophobicContact CG-CD1 3.94Å; L146-F179 HydrophobicContact CG-CD2 4.37Å; L146-F179 HydrophobicContact CG-CE1 3.72Å; L146-F179 HydrophobicContact CG-CE2 4.15Å; L146-F179 HydrophobicContact CG-CG 4.28Å; L146-F179 HydrophobicContact CG-CZ 3.84Å; L166-F179 HydrophobicContact CD1-CB 4.25Å; L166-F179 HydrophobicContact CD1-CD2 4.23Å; L166-F179 HydrophobicContact CD2-CD2 3.82Å; L166-F179 HydrophobicContact CD2-CE2 4.23Å; E168-F179 WeakPolarHBondContact OE1-CD2 3.31Å; E168-F179 WeakPolarHBondContact OE1-CE2 3.39Å; A175-F179 HydrophobicContact CB-CB 3.97Å; A175-F179 HydrophobicContact CB-CD2 4.3Å; P176-F179 HydrophobicContact CG-CB 3.97Å; P176-F179 HydrophobicContact CG-CD1 3.33Å; P176-F179 HydrophobicContact CG-CD2 4.49Å; P176-F179 HydrophobicContact CG-CE1 3.82Å; P176-F179 HydrophobicContact CG-CG 3.7Å; P176-F179 WeakPolarHBondContact O-CB 3.43Å; P176-F179 PolarHBondContact O-N 2.94Å; F179-E181 VanDerWaalsContact C-N 3.32Å; F179-E181 PolarHBondContact O-N 3.34Å; F179-T182 WeakPolarHBondContact O-CB 3.22Å; F179-T182 PolarHBondContact O-N 3.17Å; F179-T182 VanDerWaalsContact O-N 3.14Å; F179-M183 PolarHBondContact O-N 3.21Å
180	K	98.4	Very high	96.9	Very high	72 Å²	72	46.9 Å²	46.9	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-57.5	-44.4	-179	169.8	-89.9	-60	176.4	0	111.5	P176 F177 M183 V184 T192 L196	P176-K180 PolarHBondContact O-N 3.35Å; F177-K180 WeakPolarHBondContact O-CE 3.3Å; K180-M183 PolarHBondContact O-N 2.92Å; K180-V184 HydrophobicContact CD-CG2 4.26Å; K180-V184 WeakPolarHBondContact O-CG2 3.24Å; K180-V184 PolarHBondContact O-N 3.42Å; K180-T192 HydrophobicContact CG-CG2 4.29Å; K180-L196 HydrophobicContact CB-CD1 3.71Å; K180-L196 HydrophobicContact CG-CD1 3.62Å
181	E	98.6	Very high	97.2	Very high	26 Å²	26	43.7 Å²	43.7	12%	0.121	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-38.6	177.4	-78.4	169.8	-163.1	0	0	112.6	F177 F179 M183 V184 N185 T252 K255	F177-E181 WeakPolarHBondContact O-CB 3.5Å; F177-E181 VanDerWaalsContact O-CG 3.29Å; F177-E181 WeakPolarHBondContact O-CG 3.47Å; F177-E181 PolarHBondContact O-N 3.37Å; F179-E181 VanDerWaalsContact C-N 3.32Å; F179-E181 PolarHBondContact O-N 3.34Å; E181-M183 VanDerWaalsContact C-N 3.28Å; E181-M183 PolarHBondContact O-N 2.76Å; E181-V184 PolarHBondContact O-N 2.93Å; E181-N185 WeakPolarHBondContact O-CB 3.31Å; E181-N185 PolarHBondContact O-N 2.77Å; E181-N185 PolarHBondContact O-ND2 2.85Å; E181-T252 HydrophobicContact CB-CG2 3.84Å; E181-K255 IonicContact OE1-NZ 2.66Å; E181-K255 PolarHBondContact OE1-NZ 3.23Å
182	T	98.8	Very high	97.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-42.2	172.7	-52.9	0	0	0	0	110.6	W122 Y126 I149 W178 F179 N185 T186	W122-T182 PolarHBondContact NE1-OG1 3.28Å; Y126-T182 HydrophobicContact CD2-CG2 4.34Å; Y126-T182 HydrophobicContact CE2-CG2 3.79Å; I149-T182 HydrophobicContact CB-CG2 4.27Å; I149-T182 HydrophobicContact CD1-CG2 3.81Å; I149-T182 HydrophobicContact CG1-CG2 3.69Å; W178-T182 WeakPolarHBondContact O-CB 3.25Å; W178-T182 PolarHBondContact O-N 2.95Å; W178-T182 VanDerWaalsContact O-N 3.08Å; W178-T182 PolarHBondContact O-OG1 3.02Å; F179-T182 WeakPolarHBondContact O-CB 3.22Å; F179-T182 PolarHBondContact O-N 3.17Å; F179-T182 VanDerWaalsContact O-N 3.14Å; T182-N185 PolarHBondContact O-N 3.25Å; T182-T186 PolarHBondContact O-N 2.97Å; T182-T186 VanDerWaalsContact O-N 3.17Å; T182-T186 PolarHBondContact O-OG1 3.36Å
183	M	98.6	Very high	98	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-43.1	176.9	-167.1	169.9	-173.2	0	0	112.5	I149 L166 F179 K180 E181 N185 T186 V187 T192 S195 L196 L212	I149-M183 HydrophobicContact CD1-CB 4.16Å; L166-M183 HydrophobicContact CB-SD 4.29Å; L166-M183 HydrophobicContact CD1-CB 4.16Å; L166-M183 HydrophobicContact CD1-SD 3.77Å; L166-M183 HydrophobicContact CG-SD 4.12Å; F179-M183 PolarHBondContact O-N 3.21Å; K180-M183 PolarHBondContact O-N 2.92Å; E181-M183 VanDerWaalsContact C-N 3.28Å; E181-M183 PolarHBondContact O-N 2.76Å; M183-N185 VanDerWaalsContact C-N 3.27Å; M183-N185 PolarHBondContact O-N 3.42Å; M183-T186 WeakPolarHBondContact O-CA 3.43Å; M183-T186 WeakPolarHBondContact O-CB 3.43Å; M183-T186 PolarHBondContact O-N 3.35Å; M183-V187 HydrophobicContact CE-CG2 4.02Å; M183-V187 HydrophobicContact CG-CG2 3.85Å; M183-V187 WeakPolarHBondContact O-CG2 3.43Å; M183-V187 PolarHBondContact O-N 3.38Å; M183-T192 VanDerWaalsContact C-OG1 3.25Å; M183-T192 HydrophobicContact CB-CG2 3.96Å; M183-T192 HydrophobicContact CG-CG2 3.98Å; M183-T192 WeakPolarHBondContact CG-OG1 3.29Å; M183-T192 PolarHBondContact O-OG1 2.92Å; M183-T192 HydrophobicContact SD-CG2 4.2Å; M183-S195 WeakPolarHBondContact CE-OG 3.4Å; M183-L196 HydrophobicContact SD-CD2 4.07Å; M183-L196 HydrophobicContact SD-CG 4.31Å; M183-L212 HydrophobicContact CE-CD1 4.39Å
184	V	98.8	Very high	98.2	Very high	39 Å²	39	47 Å²	47	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-43.2	172.7	171.4	0	0	0	0	111.2	K180 E181 T186 G188 T192	K180-V184 HydrophobicContact CD-CG2 4.26Å; K180-V184 WeakPolarHBondContact O-CG2 3.24Å; K180-V184 PolarHBondContact O-N 3.42Å; E181-V184 PolarHBondContact O-N 2.93Å; V184-T186 PolarHBondContact O-N 3Å; V184-G188 VanDerWaalsContact O-CA 3.22Å; V184-G188 WeakPolarHBondContact O-CA 3.4Å; V184-G188 PolarHBondContact O-N 3.17Å; V184-T192 WeakPolarHBondContact CA-OG1 3.5Å; V184-T192 HydrophobicContact CG2-CG2 3.75Å; V184-T192 PolarHBondContact N-OG1 3.35Å
185	N	98.8	Very high	98.4	Very high	91 Å²	91	42.7 Å²	42.7	49%	0.487	22%	0.216	S	C	.	.	H	α-helix	trans	-67.8	-15.9	177	-67.1	-18.6	0	0	0	113.4	Y126 E181 T182 M183 T252	Y126-N185 PolarHBondContact OH-ND2 3.15Å; E181-N185 WeakPolarHBondContact O-CB 3.31Å; E181-N185 PolarHBondContact O-N 2.77Å; E181-N185 PolarHBondContact O-ND2 2.85Å; T182-N185 PolarHBondContact O-N 3.25Å; M183-N185 VanDerWaalsContact C-N 3.27Å; M183-N185 PolarHBondContact O-N 3.42Å; N185-T252 PolarHBondContact ND2-OG1 3.25Å
186	T	98.9	Very high	98.5	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.221	22%	0.216	C	C	.	.	H	α-helix	trans	-96.2	-52.3	-178.9	-53.4	0	0	0	0	111.6	I149 T182 M183 V184 L212	I149-T186 HydrophobicContact CG2-CG2 4.31Å; T182-T186 PolarHBondContact O-N 2.97Å; T182-T186 VanDerWaalsContact O-N 3.17Å; T182-T186 PolarHBondContact O-OG1 3.36Å; M183-T186 WeakPolarHBondContact O-CA 3.43Å; M183-T186 WeakPolarHBondContact O-CB 3.43Å; M183-T186 PolarHBondContact O-N 3.35Å; V184-T186 PolarHBondContact O-N 3Å; T186-L212 HydrophobicContact CG2-CD1 4.48Å
187	V	98.8	Very high	98.6	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.085	24%	0.24	C	C	.	.	H	α-helix	trans	-117.6	2	-170.4	-58	0	0	0	0	114.1	M183 N191 T192 I210 L212	M183-V187 HydrophobicContact CE-CG2 4.02Å; M183-V187 HydrophobicContact CG-CG2 3.85Å; M183-V187 WeakPolarHBondContact O-CG2 3.43Å; M183-V187 PolarHBondContact O-N 3.38Å; V187-N191 HydrophobicContact CB-CB 3.97Å; V187-N191 HydrophobicContact CG2-CB 3.73Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-ND2 2.91Å; V187-T192 WeakPolarHBondContact CG2-OG1 3.48Å; V187-I210 WeakPolarHBondContact CB-O 3.34Å; V187-I210 HydrophobicContact CG1-CD1 4.35Å; V187-I210 HydrophobicContact CG1-CG1 4.3Å; V187-I210 WeakPolarHBondContact CG1-O 3.4Å; V187-L212 HydrophobicContact CG1-CB 3.93Å; V187-L212 HydrophobicContact CG1-CD1 4.07Å
188	G	98.8	Very high	98.6	Very high	33 Å²	33	51.2 Å²	51.2	34%	0.34	26%	0.256	S	S	.	.			trans	80.3	164.4	-177.4	0	0	0	0	0	113.9	V184 R190 T192	V184-G188 VanDerWaalsContact O-CA 3.22Å; V184-G188 WeakPolarHBondContact O-CA 3.4Å; V184-G188 PolarHBondContact O-N 3.17Å; G188-R190 PolarHBondContact O-N 3.02Å; G188-T192 PolarHBondContact O-N 3.47Å; G188-T192 VanDerWaalsContact O-N 3.14Å; G188-T192 PolarHBondContact O-OG1 2.91Å
189	H	98.8	Very high	98.6	Very high	130 Å²	130	51.5 Å²	51.5	60%	0.602	26%	0.258	S	S	*	.	H	α-helix	trans	-58.7	-49.4	-170.2	-171.9	78.7	0	0	0	113.8	T192 E193	H189-T192 PolarHBondContact O-N 2.82Å; H189-E193 PolarHBondContact O-N 2.89Å
190	R	98.7	Very high	98.6	Very high	167 Å²	167	54 Å²	54	63%	0.63	27%	0.272	S	S	*	.	H	α-helix	trans	-66.2	-42.2	-173.9	179.6	58.4	-173.6	-75.1	-2.2	113.1	G188 T192 E193 I194	G188-R190 PolarHBondContact O-N 3.02Å; R190-T192 VanDerWaalsContact C-N 3.32Å; R190-E193 PolarHBondContact O-N 3.44Å; R190-I194 HydrophobicContact CG-CD1 4.38Å; R190-I194 PolarHBondContact O-N 3.01Å
191	N	98.7	Very high	98.6	Very high	57 Å²	57	53.7 Å²	53.7	31%	0.305	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-41	176.1	-71.8	-28.6	0	0	0	110.2	V187 S195	V187-N191 HydrophobicContact CB-CB 3.97Å; V187-N191 HydrophobicContact CG2-CB 3.73Å; V187-N191 WeakPolarHBondContact O-CB 3.48Å; V187-N191 PolarHBondContact O-ND2 2.91Å; N191-S195 WeakPolarHBondContact O-CB 3.38Å; N191-S195 PolarHBondContact O-N 3.36Å; N191-S195 PolarHBondContact O-OG 2.63Å
192	T	98.8	Very high	98.6	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-45.5	176.7	-60.7	0	0	0	0	112.6	K180 M183 V184 V187 G188 H189 R190 S195 L196	K180-T192 HydrophobicContact CG-CG2 4.29Å; M183-T192 VanDerWaalsContact C-OG1 3.25Å; M183-T192 HydrophobicContact CB-CG2 3.96Å; M183-T192 HydrophobicContact CG-CG2 3.98Å; M183-T192 WeakPolarHBondContact CG-OG1 3.29Å; M183-T192 PolarHBondContact O-OG1 2.92Å; M183-T192 HydrophobicContact SD-CG2 4.2Å; V184-T192 WeakPolarHBondContact CA-OG1 3.5Å; V184-T192 HydrophobicContact CG2-CG2 3.75Å; V184-T192 PolarHBondContact N-OG1 3.35Å; V187-T192 WeakPolarHBondContact CG2-OG1 3.48Å; G188-T192 PolarHBondContact O-N 3.47Å; G188-T192 VanDerWaalsContact O-N 3.14Å; G188-T192 PolarHBondContact O-OG1 2.91Å; H189-T192 PolarHBondContact O-N 2.82Å; R190-T192 VanDerWaalsContact C-N 3.32Å; T192-S195 PolarHBondContact O-N 3.49Å; T192-L196 HydrophobicContact CG2-CD1 3.5Å; T192-L196 HydrophobicContact CG2-CG 3.93Å; T192-L196 WeakPolarHBondContact O-CB 3.33Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 3.41Å
193	E	98.7	Very high	98.6	Very high	83 Å²	83	58 Å²	58	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-55.1	-55.6	178.8	-173	177.6	-149.7	0	0	111.2	H189 R190 S195 L196 E197	H189-E193 PolarHBondContact O-N 2.89Å; R190-E193 PolarHBondContact O-N 3.44Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.25Å; E193-L196 PolarHBondContact O-N 3.3Å; E193-E197 WeakPolarHBondContact CG-OE1 3.39Å; E193-E197 WeakPolarHBondContact O-CB 3.14Å; E193-E197 VanDerWaalsContact O-CG 3.31Å; E193-E197 WeakPolarHBondContact O-CG 3.1Å; E193-E197 PolarHBondContact O-N 3.01Å
194	I	98.5	Very high	98.7	Very high	57 Å²	57	58.1 Å²	58.1	29%	0.292	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-46.1	177.3	-64	170.5	0	0	0	111.1	R190 L196 L198 L200	R190-I194 HydrophobicContact CG-CD1 4.38Å; R190-I194 PolarHBondContact O-N 3.01Å; I194-L196 PolarHBondContact O-N 2.91Å; I194-L198 HydrophobicContact CG2-CD1 3.81Å; I194-L198 WeakPolarHBondContact O-CB 3.46Å; I194-L198 PolarHBondContact O-N 2.91Å; I194-L198 VanDerWaalsContact O-N 3.1Å; I194-L200 HydrophobicContact CG2-CD1 3.94Å
195	S	98.6	Very high	98.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-45.7	-175.7	-58.8	0	0	0	0	112.2	M183 N191 T192 E193 G199 L200 Y202	M183-S195 WeakPolarHBondContact CE-OG 3.4Å; N191-S195 WeakPolarHBondContact O-CB 3.38Å; N191-S195 PolarHBondContact O-N 3.36Å; N191-S195 PolarHBondContact O-OG 2.63Å; T192-S195 PolarHBondContact O-N 3.49Å; E193-S195 VanDerWaalsContact C-N 3.35Å; E193-S195 PolarHBondContact O-N 3.25Å; S195-G199 CarbonylContact O-C 3.13Å; S195-G199 VanDerWaalsContact O-CA 3.26Å; S195-G199 WeakPolarHBondContact O-CA 3.31Å; S195-G199 PolarHBondContact O-N 3.18Å; S195-L200 PolarHBondContact O-N 3.17Å; S195-Y202 WeakPolarHBondContact OG-CE2 3.2Å; S195-Y202 PolarHBondContact OG-OH 3.42Å
196	L	98.6	Very high	98.7	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-42.3	-176.3	-68	-178	0	0	0	111.6	L166 T169 A175 K180 M183 T192 E193 I194 G199	L166-L196 HydrophobicContact CB-CD2 3.5Å; L166-L196 HydrophobicContact CD1-CD2 3.77Å; L166-L196 HydrophobicContact CG-CD2 4.27Å; T169-L196 WeakPolarHBondContact CG2-O 3.5Å; T169-L196 PolarHBondContact OG1-O 3.42Å; A175-L196 HydrophobicContact CB-CD2 3.96Å; K180-L196 HydrophobicContact CB-CD1 3.71Å; K180-L196 HydrophobicContact CG-CD1 3.62Å; M183-L196 HydrophobicContact SD-CD2 4.07Å; M183-L196 HydrophobicContact SD-CG 4.31Å; T192-L196 HydrophobicContact CG2-CD1 3.5Å; T192-L196 HydrophobicContact CG2-CG 3.93Å; T192-L196 WeakPolarHBondContact O-CB 3.33Å; T192-L196 VanDerWaalsContact O-CG 3.31Å; T192-L196 WeakPolarHBondContact O-CG 3.47Å; T192-L196 PolarHBondContact O-N 3.41Å; E193-L196 PolarHBondContact O-N 3.3Å; I194-L196 PolarHBondContact O-N 2.91Å; L196-G199 PolarHBondContact O-N 2.96Å
197	E	98.5	Very high	98.7	Very high	133 Å²	133	58.1 Å²	58.1	62%	0.621	30%	0.295	S	S	*	.	H	α-helix	trans	-64.4	-43.8	-179.9	-72.8	178.2	-167.3	0	0	112.1	E193	E193-E197 WeakPolarHBondContact CG-OE1 3.39Å; E193-E197 WeakPolarHBondContact O-CB 3.14Å; E193-E197 VanDerWaalsContact O-CG 3.31Å; E193-E197 WeakPolarHBondContact O-CG 3.1Å; E193-E197 PolarHBondContact O-N 3.01Å
198	L	98.3	Very high	98.7	Very high	104 Å²	104	60.9 Å²	60.9	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-86.6	-8.6	179.2	-63.3	178.2	0	0	0	113.5	I194 L200	I194-L198 HydrophobicContact CG2-CD1 3.81Å; I194-L198 WeakPolarHBondContact O-CB 3.46Å; I194-L198 PolarHBondContact O-N 2.91Å; I194-L198 VanDerWaalsContact O-N 3.1Å; L198-L200 HydrophobicContact CB-CD1 4.43Å; L198-L200 HydrophobicContact CB-CD2 3.63Å; L198-L200 HydrophobicContact CB-CG 3.76Å; L198-L200 HydrophobicContact CD1-CD1 4.34Å; L198-L200 HydrophobicContact CD1-CD2 4.19Å; L198-L200 HydrophobicContact CD1-CG 4.47Å; L198-L200 PolarHBondContact O-N 2.79Å
199	G	98.1	Very high	98.7	Very high	6 Å²	6	66 Å²	66	6%	0.062	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	46.2	-177.3	0	0	0	0	0	113	N167 T169 S195 L196	N167-G199 VanDerWaalsContact CB-O 3.25Å; N167-G199 WeakPolarHBondContact CB-O 3.48Å; T169-G199 VanDerWaalsContact OG1-CA 3.26Å; T169-G199 WeakPolarHBondContact OG1-CA 3.45Å; T169-G199 PolarHBondContact OG1-N 2.97Å; S195-G199 CarbonylContact O-C 3.13Å; S195-G199 VanDerWaalsContact O-CA 3.26Å; S195-G199 WeakPolarHBondContact O-CA 3.31Å; S195-G199 PolarHBondContact O-N 3.18Å; L196-G199 PolarHBondContact O-N 2.96Å
200	L	98.5	Very high	98.6	Very high	54 Å²	54	61 Å²	61	28%	0.283	31%	0.306	S	S	.	.			trans	-70.3	138.8	-171	-61.5	-178.6	0	0	0	112.6	G165 I194 S195 L198 Y202	G165-L200 WeakPolarHBondContact CA-O 3.5Å; I194-L200 HydrophobicContact CG2-CD1 3.94Å; S195-L200 PolarHBondContact O-N 3.17Å; L198-L200 HydrophobicContact CB-CD1 4.43Å; L198-L200 HydrophobicContact CB-CD2 3.63Å; L198-L200 HydrophobicContact CB-CG 3.76Å; L198-L200 HydrophobicContact CD1-CD1 4.34Å; L198-L200 HydrophobicContact CD1-CD2 4.19Å; L198-L200 HydrophobicContact CD1-CG 4.47Å; L198-L200 PolarHBondContact O-N 2.79Å; L200-Y202 HydrophobicContact CB-CE1 4.38Å; L200-Y202 HydrophobicContact CB-CE2 3.93Å; L200-Y202 HydrophobicContact CD1-CE1 4.08Å; L200-Y202 WeakPolarHBondContact CD1-OH 3.29Å
201	L	98.7	Very high	98.7	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.346	29%	0.29	S	S	.	.			trans	-113.9	108.6	166.3	-67.1	179.9	0	0	0	108.6	P141 N167	P141-L201 HydrophobicContact CB-CD1 4.46Å; P141-L201 HydrophobicContact CB-CD2 3.88Å; N167-L201 HydrophobicContact CB-CD2 3.91Å; N167-L201 HydrophobicContact CB-CG 4.01Å
202	Y	98.8	Very high	98.7	Very high	25 Å²	25	51.7 Å²	51.7	10%	0.098	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-80.6	138.5	-176.5	-64.2	-78.1	0	0	0	111.3	S163 I164 S195 L200 E206 I210 L212	S163-Y202 CarbonylContact C-O 3.56Å; S163-Y202 WeakPolarHBondContact CA-O 3.28Å; S163-Y202 WeakPolarHBondContact CB-O 3.36Å; I164-Y202 PolarHBondContact N-O 3.42Å; I164-Y202 PolarHBondContact O-N 2.8Å; S195-Y202 WeakPolarHBondContact OG-CE2 3.2Å; S195-Y202 PolarHBondContact OG-OH 3.42Å; L200-Y202 HydrophobicContact CB-CE1 4.38Å; L200-Y202 HydrophobicContact CB-CE2 3.93Å; L200-Y202 HydrophobicContact CD1-CE1 4.08Å; L200-Y202 WeakPolarHBondContact CD1-OH 3.29Å; Y202-E206 HydrophobicContact CD1-CB 3.94Å; Y202-I210 HydrophobicContact CD1-CD1 4.12Å; Y202-I210 HydrophobicContact CD2-CD1 3.72Å; Y202-I210 HydrophobicContact CE1-CD1 3.87Å; Y202-I210 HydrophobicContact CE2-CD1 3.44Å; Y202-I210 VanDerWaalsContact CE2-CD1 3.44Å; Y202-I210 HydrophobicContact CG-CD1 4.03Å; Y202-L212 HydrophobicContact CD2-CD2 3.76Å; Y202-L212 HydrophobicContact CE2-CD2 4.4Å
203	K	98.8	Very high	98.7	Very high	90 Å²	90	51.6 Å²	51.6	39%	0.391	27%	0.274	S	S	.	.			trans	-70.8	160.9	165.8	-62.6	-56.6	-173.3	173.8	0	110.3	P160 Y162 A205 E206 A207	P160-K203 WeakPolarHBondContact O-CD 3.39Å; P160-K203 WeakPolarHBondContact O-CE 3.3Å; P160-K203 PolarHBondContact O-NZ 3.28Å; Y162-K203 WeakPolarHBondContact O-CD 3.33Å; K203-A205 VanDerWaalsContact C-N 3.35Å; K203-A205 PolarHBondContact O-N 2.95Å; K203-E206 WeakPolarHBondContact CB-OE2 3.4Å; K203-E206 PolarHBondContact N-OE2 2.9Å; K203-E206 PolarHBondContact O-N 3.02Å; K203-A207 WeakPolarHBondContact O-CB 3.12Å; K203-A207 PolarHBondContact O-N 2.86Å
204	P	98.8	Very high	98.7	Very high	3 Å²	3	50 Å²	50	2%	0.019	27%	0.269	C	S	.	.	H	α-helix	trans	-50.9	-49.1	-172.7	-28.5	34.4	0	0	0	113.9	M156 N159 E206 A207 L208 L216	M156-P204 HydrophobicContact CE-CG 4.12Å; N159-P204 VanDerWaalsContact O-CG 3.31Å; N159-P204 WeakPolarHBondContact O-CG 3.38Å; P204-E206 PolarHBondContact O-N 3.19Å; P204-A207 PolarHBondContact O-N 3.48Å; P204-L208 PolarHBondContact O-N 3.1Å; P204-L216 HydrophobicContact CB-CD1 3.93Å; P204-L216 HydrophobicContact CB-CD2 3.73Å; P204-L216 HydrophobicContact CB-CG 4.47Å; P204-L216 WeakPolarHBondContact O-CD1 3.31Å
205	A	98.8	Very high	98.7	Very high	66 Å²	66	50.1 Å²	50.1	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-40.7	179.5	0	0	0	0	0	113.3	K203 N209	K203-A205 VanDerWaalsContact C-N 3.35Å; K203-A205 PolarHBondContact O-N 2.95Å; A205-N209 WeakPolarHBondContact O-CB 3.3Å; A205-N209 PolarHBondContact O-N 3.47Å
206	E	98.7	Very high	98.7	Very high	100 Å²	100	51.9 Å²	51.9	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-41.2	177.8	-59	169.7	140.4	0	0	111	Y202 K203 P204 L208 N209 I210	Y202-E206 HydrophobicContact CD1-CB 3.94Å; K203-E206 WeakPolarHBondContact CB-OE2 3.4Å; K203-E206 PolarHBondContact N-OE2 2.9Å; K203-E206 PolarHBondContact O-N 3.02Å; P204-E206 PolarHBondContact O-N 3.19Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.32Å; E206-N209 WeakPolarHBondContact O-CB 3.28Å; E206-N209 PolarHBondContact O-N 3.39Å; E206-N209 VanDerWaalsContact O-N 3.17Å; E206-I210 PolarHBondContact O-N 2.93Å
207	A	98.9	Very high	98.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-41.2	177	0	0	0	0	0	111.2	I164 K203 P204 G211 L212 V213	I164-A207 HydrophobicContact CG2-CB 3.59Å; K203-A207 WeakPolarHBondContact O-CB 3.12Å; K203-A207 PolarHBondContact O-N 2.86Å; P204-A207 PolarHBondContact O-N 3.48Å; A207-G211 PolarHBondContact O-N 3.12Å; A207-L212 HydrophobicContact CB-CB 4.3Å; A207-L212 WeakPolarHBondContact O-CB 3.29Å; A207-L212 PolarHBondContact O-N 2.64Å; A207-V213 HydrophobicContact CB-CG1 4.38Å; A207-V213 HydrophobicContact CB-CG2 3.95Å; A207-V213 PolarHBondContact O-N 3.27Å
208	L	98.9	Very high	98.7	Very high	72 Å²	72	47.9 Å²	47.9	38%	0.377	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-45.4	173.5	-178.5	67.1	0	0	0	111	P204 E206 I210 G211 V213 L216	P204-L208 PolarHBondContact O-N 3.1Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 3.32Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.38Å; L208-G211 PolarHBondContact O-N 2.95Å; L208-V213 HydrophobicContact CB-CG2 4.11Å; L208-L216 HydrophobicContact CB-CD1 3.95Å; L208-L216 HydrophobicContact CB-CG 4.08Å; L208-L216 HydrophobicContact CD2-CD1 3.89Å; L208-L216 HydrophobicContact CD2-CG 3.99Å; L208-L216 HydrophobicContact CG-CG 4.46Å
209	N	98.7	Very high	98.6	Very high	140 Å²	140	46.7 Å²	46.7	75%	0.749	26%	0.256	S	S	*	.	H	α-helix	trans	-60.6	-37.2	-177.5	-178.1	69.2	0	0	0	113.2	A205 E206 G211	A205-N209 WeakPolarHBondContact O-CB 3.3Å; A205-N209 PolarHBondContact O-N 3.47Å; E206-N209 WeakPolarHBondContact O-CB 3.28Å; E206-N209 PolarHBondContact O-N 3.39Å; E206-N209 VanDerWaalsContact O-N 3.17Å; N209-G211 VanDerWaalsContact C-N 3.33Å
210	I	98.6	Very high	98.6	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.138	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.6	177.5	70.4	168.5	0	0	0	113.6	V187 Y202 E206 L208 L212	V187-I210 WeakPolarHBondContact CB-O 3.34Å; V187-I210 HydrophobicContact CG1-CD1 4.35Å; V187-I210 HydrophobicContact CG1-CG1 4.3Å; V187-I210 WeakPolarHBondContact CG1-O 3.4Å; Y202-I210 HydrophobicContact CD1-CD1 4.12Å; Y202-I210 HydrophobicContact CD2-CD1 3.72Å; Y202-I210 HydrophobicContact CE1-CD1 3.87Å; Y202-I210 HydrophobicContact CE2-CD1 3.44Å; Y202-I210 VanDerWaalsContact CE2-CD1 3.44Å; Y202-I210 HydrophobicContact CG-CD1 4.03Å; E206-I210 PolarHBondContact O-N 2.93Å; L208-I210 VanDerWaalsContact C-N 3.31Å; L208-I210 PolarHBondContact O-N 3.38Å; I210-L212 HydrophobicContact CD1-CB 3.91Å; I210-L212 HydrophobicContact CD1-CD2 4.31Å; I210-L212 HydrophobicContact CG1-CB 3.81Å
211	G	98.8	Very high	98.6	Very high	28 Å²	28	54.6 Å²	54.6	29%	0.289	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	17.6	-176.7	0	0	0	0	0	114.9	A207 L208 N209 V213	A207-G211 PolarHBondContact O-N 3.12Å; L208-G211 PolarHBondContact O-N 2.95Å; N209-G211 VanDerWaalsContact C-N 3.33Å; G211-V213 VanDerWaalsContact C-N 3.3Å
212	L	98.8	Very high	98.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-73.3	-26.9	176.7	-172.8	59.9	0	0	0	111.8	I149 R154 I164 M183 T186 V187 Y202 A207 I210	I149-L212 HydrophobicContact CG2-CD1 3.62Å; R154-L212 WeakPolarHBondContact CD-O 3.46Å; R154-L212 PolarHBondContact NE-O 3.47Å; I164-L212 HydrophobicContact CD1-CG 4.47Å; I164-L212 HydrophobicContact CG1-CD2 4.15Å; I164-L212 HydrophobicContact CG1-CG 4.48Å; I164-L212 HydrophobicContact CG2-CD2 4.03Å; M183-L212 HydrophobicContact CE-CD1 4.39Å; T186-L212 HydrophobicContact CG2-CD1 4.48Å; V187-L212 HydrophobicContact CG1-CB 3.93Å; V187-L212 HydrophobicContact CG1-CD1 4.07Å; Y202-L212 HydrophobicContact CD2-CD2 3.76Å; Y202-L212 HydrophobicContact CE2-CD2 4.4Å; A207-L212 HydrophobicContact CB-CB 4.3Å; A207-L212 WeakPolarHBondContact O-CB 3.29Å; A207-L212 PolarHBondContact O-N 2.64Å; I210-L212 HydrophobicContact CD1-CB 3.91Å; I210-L212 HydrophobicContact CD1-CD2 4.31Å; I210-L212 HydrophobicContact CG1-CB 3.81Å
213	V	98.9	Very high	98.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.289	C	S	.	.	S	Bend	trans	-128.5	155.7	167.8	-59.8	0	0	0	0	109.4	I136 R154 M156 I164 A207 L208 G211 L216	I136-V213 HydrophobicContact CD1-CG1 4.04Å; R154-V213 HydrophobicContact CB-CB 4.3Å; R154-V213 HydrophobicContact CB-CG1 4.37Å; M156-V213 HydrophobicContact CB-CB 4.34Å; M156-V213 HydrophobicContact CB-CG1 4.03Å; M156-V213 HydrophobicContact CB-CG2 4.39Å; M156-V213 HydrophobicContact SD-CG1 4.11Å; I164-V213 HydrophobicContact CD1-CG1 4.13Å; I164-V213 HydrophobicContact CG2-CG1 4.37Å; A207-V213 HydrophobicContact CB-CG1 4.38Å; A207-V213 HydrophobicContact CB-CG2 3.95Å; A207-V213 PolarHBondContact O-N 3.27Å; L208-V213 HydrophobicContact CB-CG2 4.11Å; G211-V213 VanDerWaalsContact C-N 3.3Å; V213-L216 HydrophobicContact CG2-CD2 3.9Å
214	D	98.9	Very high	98.5	Very high	51 Å²	51	52.5 Å²	52.5	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-100.1	-23.6	-171.9	-49.3	-56.3	0	0	0	112.9	Y153 R154	Y153-D214 WeakPolarHBondContact CA-OD2 3.5Å; Y153-D214 HydrophobicContact CD1-CB 4.37Å; Y153-D214 HydrophobicContact CD2-CB 3.86Å; Y153-D214 WeakPolarHBondContact CD2-OD2 3.45Å; Y153-D214 HydrophobicContact CE1-CB 3.91Å; Y153-D214 HydrophobicContact CE2-CB 3.32Å; Y153-D214 HydrophobicContact CG-CB 4.35Å; R154-D214 IonicContact CZ-OD1 3.32Å; R154-D214 IonicContact CZ-OD2 3.38Å; R154-D214 VanDerWaalsContact CZ-OD2 3.25Å; R154-D214 PolarHBondContact N-OD2 2.93Å; R154-D214 IonicContact NE-OD1 3.53Å; R154-D214 IonicContact NE-OD2 2.92Å; R154-D214 IonicContact NH1-OD2 2.82Å; R154-D214 IonicContact NH2-OD1 3.44Å; R154-D214 PolarHBondContact NH2-OD1 2.93Å; R154-D214 IonicContact NH2-OD2 3.16Å; R154-D214 PolarHBondContact NH2-OD2 3.41Å; R154-D214 WeakPolarHBondContact O-CB 3.46Å; R154-D214 PolarHBondContact O-N 3.29Å
215	Q	98.8	Very high	98.5	Very high	59 Å²	59	52.7 Å²	52.7	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	141.9	-178.3	-173.2	-179.3	-4.9	0	0	111.2	Y153 R154 I155 M156 V217	Y153-Q215 HydrophobicContact CE1-CB 4.31Å; R154-Q215 PolarHBondContact O-N 3.43Å; I155-Q215 WeakPolarHBondContact CA-O 3.4Å; I155-Q215 HydrophobicContact CG1-CB 4.21Å; I155-Q215 HydrophobicContact CG2-CB 4.32Å; I155-Q215 HydrophobicContact CG2-CG 4.45Å; M156-Q215 PolarHBondContact N-O 3.3Å; Q215-V217 HydrophobicContact CG-CG1 4.07Å; Q215-V217 VanDerWaalsContact NE2-CG1 3.33Å
216	L	98.9	Very high	98.5	Very high	37 Å²	37	49.6 Å²	49.6	19%	0.194	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.2	168.4	-61.3	-178.2	0	0	0	110.4	M156 D158 P204 L208 V213	M156-L216 HydrophobicContact CB-CD2 3.89Å; M156-L216 HydrophobicContact CG-CD2 4.47Å; M156-L216 WeakPolarHBondContact O-CA 3.35Å; D158-L216 HydrophobicContact CB-CB 4.18Å; P204-L216 HydrophobicContact CB-CD1 3.93Å; P204-L216 HydrophobicContact CB-CD2 3.73Å; P204-L216 HydrophobicContact CB-CG 4.47Å; P204-L216 WeakPolarHBondContact O-CD1 3.31Å; L208-L216 HydrophobicContact CB-CD1 3.95Å; L208-L216 HydrophobicContact CB-CG 4.08Å; L208-L216 HydrophobicContact CD2-CD1 3.89Å; L208-L216 HydrophobicContact CD2-CG 3.99Å; L208-L216 HydrophobicContact CG-CG 4.46Å; V213-L216 HydrophobicContact CG2-CD2 3.9Å
217	V	98.8	Very high	98.5	Very high	13 Å²	13	48 Å²	48	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.3	176.3	-63.9	0	0	0	0	110.5	I155 M156 A157 D158 Q215 Q221 V222 A225	I155-V217 HydrophobicContact CG2-CG1 4.33Å; I155-V217 HydrophobicContact CG2-CG2 3.72Å; M156-V217 PolarHBondContact O-N 3.41Å; M156-V217 VanDerWaalsContact O-N 3.15Å; A157-V217 CarbonylContact C-O 3.53Å; A157-V217 WeakPolarHBondContact CA-O 3.32Å; D158-V217 PolarHBondContact N-O 3.27Å; Q215-V217 HydrophobicContact CG-CG1 4.07Å; Q215-V217 VanDerWaalsContact NE2-CG1 3.33Å; V217-Q221 HydrophobicContact CB-CB 4.36Å; V217-Q221 HydrophobicContact CG2-CB 4.41Å; V217-V222 HydrophobicContact CG2-CB 4.24Å; V217-V222 HydrophobicContact CG2-CG2 3.79Å; V217-A225 HydrophobicContact CG1-CB 3.95Å; V217-A225 HydrophobicContact CG2-CB 4.21Å
218	P	98.6	Very high	98.5	Very high	63 Å²	63	54.1 Å²	54.1	41%	0.409	30%	0.296	S	S	.	.			trans	-51.2	146.1	169.1	-28.4	37.8	0	0	0	112.3	D220 Q221 V222	P218-D220 VanDerWaalsContact CB-OD1 3.31Å; P218-D220 WeakPolarHBondContact CB-OD1 3.37Å; P218-D220 PolarHBondContact O-N 3.18Å; P218-Q221 HydrophobicContact CB-CB 4.4Å; P218-Q221 HydrophobicContact CB-CG 4.19Å; P218-Q221 WeakPolarHBondContact O-CA 3.45Å; P218-Q221 WeakPolarHBondContact O-CB 3.23Å; P218-Q221 PolarHBondContact O-N 3.01Å; P218-V222 PolarHBondContact O-N 3.46Å
219	E	96.3	Very high	98.5	Very high	79 Å²	79	51.1 Å²	51.1	37%	0.369	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-55.9	-37.4	-172.7	-178.5	173.8	166.5	0	0	113.6	A157 N159 Y162 Q221 V222	A157-E219 HydrophobicContact CB-CB 4.01Å; A157-E219 HydrophobicContact CB-CG 4.14Å; N159-E219 PolarHBondContact ND2-OE2 2.99Å; Y162-E219 HydrophobicContact CE2-CG 4.21Å; Y162-E219 PolarHBondContact OH-OE1 2.95Å; Y162-E219 PolarHBondContact OH-OE2 3.33Å; E219-Q221 PolarHBondContact O-N 3.23Å; E219-V222 WeakPolarHBondContact O-CG2 3.49Å
220	D	97.1	Very high	98.5	Very high	137 Å²	137	44.5 Å²	44.5	73%	0.733	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-75.2	-10.2	177.8	63.6	-32.2	0	0	0	113.8	P218	P218-D220 VanDerWaalsContact CB-OD1 3.31Å; P218-D220 WeakPolarHBondContact CB-OD1 3.37Å; P218-D220 PolarHBondContact O-N 3.18Å
221	Q	98.5	Very high	98.5	Very high	90 Å²	90	47.5 Å²	47.5	42%	0.421	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-106.6	-4.9	-176.6	-64.4	179.8	29.7	0	0	114	V217 P218 E219 L223 S224 A225	V217-Q221 HydrophobicContact CB-CB 4.36Å; V217-Q221 HydrophobicContact CG2-CB 4.41Å; P218-Q221 HydrophobicContact CB-CB 4.4Å; P218-Q221 HydrophobicContact CB-CG 4.19Å; P218-Q221 WeakPolarHBondContact O-CA 3.45Å; P218-Q221 WeakPolarHBondContact O-CB 3.23Å; P218-Q221 PolarHBondContact O-N 3.01Å; E219-Q221 PolarHBondContact O-N 3.23Å; Q221-L223 PolarHBondContact O-N 3.49Å; Q221-S224 WeakPolarHBondContact CA-OG 3.3Å; Q221-S224 PolarHBondContact O-N 2.85Å; Q221-S224 PolarHBondContact O-OG 3.45Å; Q221-A225 WeakPolarHBondContact O-CB 3.42Å; Q221-A225 PolarHBondContact O-N 3.33Å
222	V	98.7	Very high	98.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-48.4	-175.7	-177.6	0	0	0	0	111.8	A135 I155 A157 V217 P218 E219 A225 A226	A135-V222 HydrophobicContact CB-CG1 3.77Å; I155-V222 HydrophobicContact CG2-CG1 4.36Å; A157-V222 HydrophobicContact CB-CG2 3.72Å; V217-V222 HydrophobicContact CG2-CB 4.24Å; V217-V222 HydrophobicContact CG2-CG2 3.79Å; P218-V222 PolarHBondContact O-N 3.46Å; E219-V222 WeakPolarHBondContact O-CG2 3.49Å; V222-A225 PolarHBondContact O-N 3.41Å; V222-A226 WeakPolarHBondContact O-CB 3.39Å; V222-A226 PolarHBondContact O-N 3.01Å
223	L	98.4	Very high	98.4	Very high	63 Å²	63	56.3 Å²	56.3	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-68	-43.1	-178.8	-176.3	58.4	0	0	0	111.9	V49 I85 Q221 A225 A226 T227	V49-L223 HydrophobicContact CG1-CD1 3.87Å; I85-L223 HydrophobicContact CG2-CD1 3.92Å; Q221-L223 PolarHBondContact O-N 3.49Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 2.97Å; L223-A226 WeakPolarHBondContact O-CB 3.39Å; L223-A226 PolarHBondContact O-N 3.49Å; L223-T227 PolarHBondContact O-N 2.88Å; L223-T227 PolarHBondContact O-OG1 3.28Å
224	S	98.4	Very high	98.4	Very high	71 Å²	71	57.4 Å²	57.4	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.9	47.4	0	0	0	0	112.5	Q221 A226 T227 Q228	Q221-S224 WeakPolarHBondContact CA-OG 3.3Å; Q221-S224 PolarHBondContact O-N 2.85Å; Q221-S224 PolarHBondContact O-OG 3.45Å; S224-A226 VanDerWaalsContact C-N 3.34Å; S224-T227 PolarHBondContact O-N 3Å; S224-Q228 WeakPolarHBondContact O-CB 3.49Å; S224-Q228 PolarHBondContact O-N 3.13Å
225	A	98.8	Very high	98.4	Very high	8 Å²	8	58.7 Å²	58.7	7%	0.066	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-37.8	176	0	0	0	0	0	111.5	I155 V217 Q221 V222 L223 Q228 T229	I155-A225 HydrophobicContact CD1-CB 4.06Å; I155-A225 HydrophobicContact CG2-CB 4.17Å; V217-A225 HydrophobicContact CG1-CB 3.95Å; V217-A225 HydrophobicContact CG2-CB 4.21Å; Q221-A225 WeakPolarHBondContact O-CB 3.42Å; Q221-A225 PolarHBondContact O-N 3.33Å; V222-A225 PolarHBondContact O-N 3.41Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 2.97Å; A225-Q228 PolarHBondContact O-N 3.28Å; A225-T229 VanDerWaalsContact O-CB 3.29Å; A225-T229 WeakPolarHBondContact O-CB 3.44Å; A225-T229 PolarHBondContact O-N 3.43Å; A225-T229 PolarHBondContact O-OG1 3.24Å
226	A	98.8	Very high	98.3	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-45.4	174.4	0	0	0	0	0	111.8	I85 I133 A135 I155 V222 L223 S224 Q228 T229 M230	I85-A226 HydrophobicContact CD1-CB 4.02Å; I85-A226 HydrophobicContact CG1-CB 4.36Å; I85-A226 HydrophobicContact CG2-CB 3.89Å; I133-A226 HydrophobicContact CG2-CB 3.88Å; A135-A226 HydrophobicContact CB-CB 3.98Å; I155-A226 HydrophobicContact CD1-CB 4.13Å; V222-A226 WeakPolarHBondContact O-CB 3.39Å; V222-A226 PolarHBondContact O-N 3.01Å; L223-A226 WeakPolarHBondContact O-CB 3.39Å; L223-A226 PolarHBondContact O-N 3.49Å; S224-A226 VanDerWaalsContact C-N 3.34Å; A226-Q228 PolarHBondContact O-N 3.03Å; A226-T229 PolarHBondContact O-N 2.86Å; A226-M230 WeakPolarHBondContact O-CB 3.35Å; A226-M230 PolarHBondContact O-N 3.15Å
227	T	98.4	Very high	98.3	Very high	68 Å²	68	62.9 Å²	62.9	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-45.3	175.1	-56.8	0	0	0	0	111.5	L223 S224 T229 M230 T231	L223-T227 PolarHBondContact O-N 2.88Å; L223-T227 PolarHBondContact O-OG1 3.28Å; S224-T227 PolarHBondContact O-N 3Å; T227-T229 PolarHBondContact O-N 3.06Å; T227-M230 WeakPolarHBondContact O-CB 3.49Å; T227-M230 PolarHBondContact O-N 2.69Å; T227-T231 WeakPolarHBondContact O-CG2 3.41Å; T227-T231 PolarHBondContact O-N 3.08Å
228	Q	98.5	Very high	98.2	Very high	127 Å²	127	65.8 Å²	65.8	59%	0.593	36%	0.359	S	S	*	.	H	α-helix	trans	-63	-43.4	177.5	-171.6	-178.5	35	0	0	111.4	S224 A225 A226 M230 T231	S224-Q228 WeakPolarHBondContact O-CB 3.49Å; S224-Q228 PolarHBondContact O-N 3.13Å; A225-Q228 PolarHBondContact O-N 3.28Å; A226-Q228 PolarHBondContact O-N 3.03Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; Q228-M230 PolarHBondContact O-N 3.47Å; Q228-T231 PolarHBondContact O-N 3.25Å; Q228-T231 PolarHBondContact O-OG1 3.37Å
229	T	98.8	Very high	98.1	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-64.5	-39.8	178.4	-61.7	0	0	0	0	111.5	I133 Y153 A225 A226 T227 T231 K232 W233	I133-T229 HydrophobicContact CD1-CG2 3.98Å; Y153-T229 HydrophobicContact CD1-CG2 3.67Å; Y153-T229 HydrophobicContact CE1-CG2 3.78Å; Y153-T229 HydrophobicContact CG-CG2 4.24Å; A225-T229 VanDerWaalsContact O-CB 3.29Å; A225-T229 WeakPolarHBondContact O-CB 3.44Å; A225-T229 PolarHBondContact O-N 3.43Å; A225-T229 PolarHBondContact O-OG1 3.24Å; A226-T229 PolarHBondContact O-N 2.86Å; T227-T229 PolarHBondContact O-N 3.06Å; T229-T231 PolarHBondContact O-N 3.14Å; T229-K232 WeakPolarHBondContact O-CB 3.49Å; T229-K232 PolarHBondContact O-N 3.01Å; T229-W233 PolarHBondContact O-N 3Å
230	M	98.8	Very high	98.2	Very high	2 Å²	2	68 Å²	68	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-54.8	-38.5	176	-174	60.8	77.2	0	0	112	V47 I85 V131 I133 A226 T227 Q228 K232 W233 L234	V47-M230 HydrophobicContact CG1-CG 4.11Å; V47-M230 HydrophobicContact CG2-CG 3.59Å; I85-M230 HydrophobicContact CG1-CE 3.82Å; V131-M230 HydrophobicContact CB-CE 4.27Å; V131-M230 HydrophobicContact CB-SD 3.7Å; V131-M230 HydrophobicContact CG1-CE 4.04Å; V131-M230 HydrophobicContact CG1-SD 3.59Å; V131-M230 VanDerWaalsContact CG1-SD 3.59Å; I133-M230 HydrophobicContact CB-CE 4.36Å; I133-M230 HydrophobicContact CD1-CB 3.99Å; I133-M230 HydrophobicContact CD1-CE 3.84Å; I133-M230 HydrophobicContact CD1-SD 4.32Å; I133-M230 HydrophobicContact CG1-CE 3.78Å; A226-M230 WeakPolarHBondContact O-CB 3.35Å; A226-M230 PolarHBondContact O-N 3.15Å; T227-M230 WeakPolarHBondContact O-CB 3.49Å; T227-M230 PolarHBondContact O-N 2.69Å; Q228-M230 VanDerWaalsContact C-N 3.34Å; Q228-M230 PolarHBondContact O-N 3.47Å; M230-K232 VanDerWaalsContact C-N 3.25Å; M230-K232 PolarHBondContact O-N 3.34Å; M230-W233 PolarHBondContact O-N 2.81Å; M230-W233 VanDerWaalsContact O-N 3.17Å; M230-L234 HydrophobicContact CG-CD1 3.84Å; M230-L234 HydrophobicContact CG-CG 4.03Å; M230-L234 WeakPolarHBondContact O-CB 3.41Å; M230-L234 WeakPolarHBondContact O-CG 3.11Å; M230-L234 PolarHBondContact O-N 3.04Å; M230-L234 HydrophobicContact SD-CD1 4.13Å; M230-L234 HydrophobicContact SD-CD2 4.26Å; M230-L234 HydrophobicContact SD-CG 3.9Å
231	T	98.2	Very high	98.3	Very high	90 Å²	90	62.3 Å²	62.3	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-36	178.1	70.9	0	0	0	0	112.7	T227 Q228 T229 A235	T227-T231 WeakPolarHBondContact O-CG2 3.41Å; T227-T231 PolarHBondContact O-N 3.08Å; Q228-T231 PolarHBondContact O-N 3.25Å; Q228-T231 PolarHBondContact O-OG1 3.37Å; T229-T231 PolarHBondContact O-N 3.14Å; T231-A235 PolarHBondContact O-N 3.3Å; T231-A235 VanDerWaalsContact O-N 3.08Å
232	K	98.1	Very high	98.3	Very high	137 Å²	137	59.8 Å²	59.8	60%	0.596	33%	0.329	S	S	*	.	H	α-helix	trans	-68.2	-43.4	177.3	-58.4	176.8	-178	172.8	0	111.4	T229 M230 A235	T229-K232 WeakPolarHBondContact O-CB 3.49Å; T229-K232 PolarHBondContact O-N 3.01Å; M230-K232 VanDerWaalsContact C-N 3.25Å; M230-K232 PolarHBondContact O-N 3.34Å; K232-A235 PolarHBondContact O-N 3.23Å
233	W	98.6	Very high	98.3	Very high	76 Å²	76	64.1 Å²	64.1	29%	0.288	35%	0.351	S	S	.	.	H	α-helix	trans	-66.7	-38.4	177.7	-77.8	84	0	0	0	112.4	V131 D152 Y153 T229 M230 A235 I236	V131-W233 HydrophobicContact CB-CB 4.31Å; V131-W233 HydrophobicContact CG1-CB 3.56Å; V131-W233 HydrophobicContact CG1-CD2 3.75Å; V131-W233 HydrophobicContact CG1-CE3 3.84Å; V131-W233 HydrophobicContact CG1-CG 3.66Å; V131-W233 HydrophobicContact CG2-CB 3.88Å; V131-W233 HydrophobicContact CG2-CE3 4.28Å; D152-W233 HydrophobicContact CB-CE3 4.49Å; D152-W233 HydrophobicContact CB-CH2 3.66Å; D152-W233 HydrophobicContact CB-CZ2 4.14Å; D152-W233 HydrophobicContact CB-CZ3 3.85Å; Y153-W233 HydrophobicContact CD2-CZ2 4.16Å; T229-W233 PolarHBondContact O-N 3Å; M230-W233 PolarHBondContact O-N 2.81Å; M230-W233 VanDerWaalsContact O-N 3.17Å; W233-A235 VanDerWaalsContact C-N 3.3Å; W233-A235 PolarHBondContact O-N 3.16Å; W233-I236 PolarHBondContact O-N 3.07Å
234	L	98.3	Very high	98.3	Very high	23 Å²	23	64.7 Å²	64.7	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-78.5	-10.5	178.9	-66.6	-169.9	0	0	0	113.7	V47 R82 V131 M230 I236	V47-L234 HydrophobicContact CG2-CD1 3.56Å; R82-L234 HydrophobicContact CB-CD2 3.86Å; R82-L234 PolarHBondContact NH2-O 3.24Å; V131-L234 HydrophobicContact CB-CD2 4.35Å; V131-L234 HydrophobicContact CG2-CD2 3.74Å; M230-L234 HydrophobicContact CG-CD1 3.84Å; M230-L234 HydrophobicContact CG-CG 4.03Å; M230-L234 WeakPolarHBondContact O-CB 3.41Å; M230-L234 WeakPolarHBondContact O-CG 3.11Å; M230-L234 PolarHBondContact O-N 3.04Å; M230-L234 HydrophobicContact SD-CD1 4.13Å; M230-L234 HydrophobicContact SD-CD2 4.26Å; M230-L234 HydrophobicContact SD-CG 3.9Å; L234-I236 PolarHBondContact O-N 3.25Å
235	A	98.1	Very high	98.4	Very high	78 Å²	78	62.4 Å²	62.4	65%	0.645	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.9	169.5	0	0	0	0	0	112.8	T231 K232 W233	T231-A235 PolarHBondContact O-N 3.3Å; T231-A235 VanDerWaalsContact O-N 3.08Å; K232-A235 PolarHBondContact O-N 3.23Å; W233-A235 VanDerWaalsContact C-N 3.3Å; W233-A235 PolarHBondContact O-N 3.16Å
236	I	98.4	Very high	98.3	Very high	88 Å²	88	64.9 Å²	64.9	45%	0.451	36%	0.355	S	S	.	.	S	Bend	trans	-80.8	138.7	-178.9	-53	-54.6	0	0	0	110.5	W233 L234 E238 R241	W233-I236 PolarHBondContact O-N 3.07Å; L234-I236 PolarHBondContact O-N 3.25Å; I236-E238 PolarHBondContact O-N 3.33Å; I236-E238 VanDerWaalsContact O-N 3.12Å; I236-R241 HydrophobicContact CG2-CB 4.1Å
237	P	98.1	Very high	98.3	Very high	96 Å²	96	71.4 Å²	71.4	62%	0.623	39%	0.387	S	S	*	.			trans	-51.9	119.6	173.8	-28.2	35.8	0	0	0	112.1	H239 A240 R241	P237-H239 PolarHBondContact O-N 2.86Å; P237-A240 HydrophobicContact CB-CB 4.41Å; P237-A240 PolarHBondContact O-N 2.91Å; P237-R241 PolarHBondContact O-N 2.88Å; P237-R241 VanDerWaalsContact O-N 3.11Å
238	E	96.6	Very high	98.3	Very high	75 Å²	75	74.3 Å²	74.3	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-56.8	-48.5	-166.7	174.5	167.8	-146.6	0	0	113.2	I236 A240 R241 Q242	I236-E238 PolarHBondContact O-N 3.33Å; I236-E238 VanDerWaalsContact O-N 3.12Å; E238-A240 PolarHBondContact O-N 3.47Å; E238-R241 PolarHBondContact O-N 3.01Å; E238-Q242 HydrophobicContact CG-CG 4.32Å; E238-Q242 WeakPolarHBondContact O-CG 3.23Å; E238-Q242 PolarHBondContact O-N 3.09Å; E238-Q242 PolarHBondContact OE1-NE2 3.23Å; E238-Q242 VanDerWaalsContact OE1-NE2 3.1Å
239	H	97.2	Very high	98.3	Very high	134 Å²	134	69.6 Å²	69.6	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-61.2	-43.2	-178.2	-175.6	60.5	0	0	0	112.5	P237 R241 Q242 I243	P237-H239 PolarHBondContact O-N 2.86Å; H239-R241 PolarHBondContact O-N 3.12Å; H239-Q242 PolarHBondContact O-N 3.3Å; H239-I243 VanDerWaalsContact CE1-CD1 3.44Å; H239-I243 WeakPolarHBondContact CE1-CD1 3.47Å; H239-I243 WeakPolarHBondContact NE2-CD1 3.47Å; H239-I243 WeakPolarHBondContact O-CG1 3.06Å; H239-I243 PolarHBondContact O-N 2.89Å
240	A	98.5	Very high	98.3	Very high	53 Å²	53	74.9 Å²	74.9	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.5	0	0	0	0	0	111.4	P237 E238 T244	P237-A240 HydrophobicContact CB-CB 4.41Å; P237-A240 PolarHBondContact O-N 2.91Å; E238-A240 PolarHBondContact O-N 3.47Å; A240-T244 WeakPolarHBondContact O-CB 3.29Å; A240-T244 PolarHBondContact O-N 3.25Å; A240-T244 PolarHBondContact O-OG1 3.11Å
241	R	98.5	Very high	98.3	Very high	18 Å²	18	79.1 Å²	79.1	7%	0.068	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-46.5	175.5	-178.2	-173.3	59.3	70.8	3.5	111.7	N129 V131 I236 P237 E238 H239 T244 K245	N129-R241 PolarHBondContact O-NH1 3Å; N129-R241 VanDerWaalsContact O-NH1 3.08Å; N129-R241 PolarHBondContact O-NH2 3.31Å; V131-R241 VanDerWaalsContact CG2-NE 3.34Å; I236-R241 HydrophobicContact CG2-CB 4.1Å; P237-R241 PolarHBondContact O-N 2.88Å; P237-R241 VanDerWaalsContact O-N 3.11Å; E238-R241 PolarHBondContact O-N 3.01Å; H239-R241 PolarHBondContact O-N 3.12Å; R241-T244 PolarHBondContact O-N 3.41Å; R241-K245 WeakPolarHBondContact O-CB 3.49Å; R241-K245 PolarHBondContact O-N 3.27Å
242	Q	98.6	Very high	98.3	Very high	38 Å²	38	75.1 Å²	75.1	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-46.7	179.6	-74	171.2	-3.8	0	0	112.1	N129 E238 H239 T244 K245 S246	N129-Q242 HydrophobicContact CB-CG 4.07Å; N129-Q242 WeakPolarHBondContact O-CG 3.44Å; N129-Q242 PolarHBondContact O-NE2 3.02Å; E238-Q242 HydrophobicContact CG-CG 4.32Å; E238-Q242 WeakPolarHBondContact O-CG 3.23Å; E238-Q242 PolarHBondContact O-N 3.09Å; E238-Q242 PolarHBondContact OE1-NE2 3.23Å; E238-Q242 VanDerWaalsContact OE1-NE2 3.1Å; H239-Q242 PolarHBondContact O-N 3.3Å; Q242-T244 VanDerWaalsContact C-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.41Å; Q242-K245 PolarHBondContact O-N 2.86Å; Q242-S246 WeakPolarHBondContact O-CB 3.48Å; Q242-S246 PolarHBondContact O-N 2.79Å
243	I	98.7	Very high	98.4	Very high	92 Å²	92	69.2 Å²	69.2	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-44.1	175.8	-71.3	173.5	0	0	0	110.6	H239 S246 M247	H239-I243 VanDerWaalsContact CE1-CD1 3.44Å; H239-I243 WeakPolarHBondContact CE1-CD1 3.47Å; H239-I243 WeakPolarHBondContact NE2-CD1 3.47Å; H239-I243 WeakPolarHBondContact O-CG1 3.06Å; H239-I243 PolarHBondContact O-N 2.89Å; I243-S246 PolarHBondContact O-N 3.27Å; I243-M247 WeakPolarHBondContact O-CB 3.48Å; I243-M247 PolarHBondContact O-N 2.98Å
244	T	98.8	Very high	98.4	Very high	76 Å²	76	68.9 Å²	68.9	47%	0.466	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-48.1	178.7	-58	0	0	0	0	111.1	A240 R241 Q242 S246 M247 M248	A240-T244 WeakPolarHBondContact O-CB 3.29Å; A240-T244 PolarHBondContact O-N 3.25Å; A240-T244 PolarHBondContact O-OG1 3.11Å; R241-T244 PolarHBondContact O-N 3.41Å; Q242-T244 VanDerWaalsContact C-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.41Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 3.39Å; T244-M247 WeakPolarHBondContact O-CB 3.39Å; T244-M247 PolarHBondContact O-N 3.06Å; T244-M248 WeakPolarHBondContact O-CG 3.42Å; T244-M248 PolarHBondContact O-N 2.91Å; T244-M248 VanDerWaalsContact O-N 3.15Å
245	K	98.8	Very high	98.4	Very high	22 Å²	22	72.3 Å²	72.3	10%	0.096	39%	0.392	C	S	.	.	H	α-helix	trans	-58	-45.9	175.9	179.9	174.9	178.7	171	0	111.6	S128 M130 D152 R241 Q242 M248 R249	S128-K245 WeakPolarHBondContact O-CD 3.44Å; S128-K245 WeakPolarHBondContact O-CE 2.77Å; S128-K245 PolarHBondContact O-NZ 2.99Å; M130-K245 PolarHBondContact O-NZ 3.29Å; M130-K245 VanDerWaalsContact O-NZ 3.11Å; D152-K245 WeakPolarHBondContact OD1-CD 3.36Å; D152-K245 WeakPolarHBondContact OD1-CE 3.45Å; D152-K245 IonicContact OD1-NZ 3.28Å; D152-K245 PolarHBondContact OD1-NZ 2.88Å; D152-K245 IonicContact OD2-NZ 3.05Å; D152-K245 PolarHBondContact OD2-NZ 2.98Å; R241-K245 WeakPolarHBondContact O-CB 3.49Å; R241-K245 PolarHBondContact O-N 3.27Å; Q242-K245 PolarHBondContact O-N 2.86Å; K245-M248 PolarHBondContact O-N 3.24Å; K245-R249 PolarHBondContact O-N 3.3Å; K245-R249 VanDerWaalsContact O-N 3.07Å
246	S	98.4	Very high	98.4	Very high	60 Å²	60	68.6 Å²	68.6	42%	0.42	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-46.3	177.1	-175	0	0	0	0	111.6	Q242 I243 T244 M248 R249 K250	Q242-S246 WeakPolarHBondContact O-CB 3.48Å; Q242-S246 PolarHBondContact O-N 2.79Å; I243-S246 PolarHBondContact O-N 3.27Å; T244-S246 VanDerWaalsContact C-N 3.33Å; T244-S246 PolarHBondContact O-N 3.39Å; S246-M248 PolarHBondContact O-N 3.02Å; S246-R249 PolarHBondContact O-N 2.98Å; S246-R249 VanDerWaalsContact O-N 3.16Å; S246-K250 WeakPolarHBondContact O-CA 3.43Å; S246-K250 WeakPolarHBondContact O-CB 3.4Å; S246-K250 PolarHBondContact O-N 3.11Å
247	M	98.6	Very high	98.4	Very high	137 Å²	137	71 Å²	71	68%	0.675	37%	0.365	S	S	*	.	H	α-helix	trans	-56.1	-39.2	177.1	-177.8	175.1	62.8	0	0	112.5	I243 T244	I243-M247 WeakPolarHBondContact O-CB 3.48Å; I243-M247 PolarHBondContact O-N 2.98Å; T244-M247 WeakPolarHBondContact O-CB 3.39Å; T244-M247 PolarHBondContact O-N 3.06Å
248	M	98.7	Very high	98.4	Very high	130 Å²	130	71 Å²	71	64%	0.64	37%	0.368	S	S	*	.	H	α-helix	trans	-75.5	-31.5	179.5	-62.7	-53.8	-64.3	0	0	113.7	T244 K245 S246	T244-M248 WeakPolarHBondContact O-CG 3.42Å; T244-M248 PolarHBondContact O-N 2.91Å; T244-M248 VanDerWaalsContact O-N 3.15Å; K245-M248 PolarHBondContact O-N 3.24Å; S246-M248 PolarHBondContact O-N 3.02Å
249	R	98.8	Very high	98.5	Very high	27 Å²	27	71.2 Å²	71.2	10%	0.102	37%	0.371	C	S	.	.	H	α-helix	trans	-109.2	-18.1	-168.8	-63.8	-174.1	176.1	-165.4	-6.4	114.7	Y126 T150 C151 D152 K245 S246 S251 T252 I253	Y126-R249 HydrophobicContact CD1-CB 4.1Å; Y126-R249 HydrophobicContact CD1-CG 4.36Å; Y126-R249 HydrophobicContact CE1-CB 3.67Å; Y126-R249 HydrophobicContact CE1-CG 3.77Å; Y126-R249 HydrophobicContact CE2-CG 4.23Å; Y126-R249 WeakPolarHBondContact O-CD 3.29Å; Y126-R249 PolarHBondContact O-NH1 3.17Å; T150-R249 PolarHBondContact O-NH1 3.05Å; T150-R249 PolarHBondContact O-NH2 3.28Å; C151-R249 PolarHBondContact O-NH2 2.86Å; D152-R249 IonicContact OD1-CZ 3.53Å; D152-R249 IonicContact OD1-NH1 2.58Å; D152-R249 IonicContact OD1-NH2 3.11Å; D152-R249 PolarHBondContact OD1-NH2 3.04Å; K245-R249 PolarHBondContact O-N 3.3Å; K245-R249 VanDerWaalsContact O-N 3.07Å; S246-R249 PolarHBondContact O-N 2.98Å; S246-R249 VanDerWaalsContact O-N 3.16Å; R249-S251 PolarHBondContact O-N 2.94Å; R249-T252 PolarHBondContact O-N 2.94Å; R249-I253 HydrophobicContact CB-CD1 4.04Å; R249-I253 WeakPolarHBondContact O-CG1 3.42Å; R249-I253 PolarHBondContact O-N 3.46Å; R249-I253 VanDerWaalsContact O-N 3.09Å
250	K	98.5	Very high	98.5	Very high	121 Å²	121	67.3 Å²	67.3	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-42.2	-171.2	179.3	175.5	-178.9	-179.8	0	113	S246 T252 I253 E254	S246-K250 WeakPolarHBondContact O-CA 3.43Å; S246-K250 WeakPolarHBondContact O-CB 3.4Å; S246-K250 PolarHBondContact O-N 3.11Å; K250-T252 PolarHBondContact O-N 2.58Å; K250-I253 PolarHBondContact O-N 3.06Å; K250-E254 HydrophobicContact CG-CG 3.94Å; K250-E254 WeakPolarHBondContact O-CB 3.41Å; K250-E254 WeakPolarHBondContact O-CG 3.06Å; K250-E254 PolarHBondContact O-N 3Å
251	S	98.6	Very high	98.5	Very high	90 Å²	90	70.3 Å²	70.3	63%	0.629	36%	0.356	S	S	*	.	H	α-helix	trans	-60.4	-44.6	-179.3	57.1	0	0	0	0	112.3	R249 K255	R249-S251 PolarHBondContact O-N 2.94Å; S251-K255 WeakPolarHBondContact O-CB 3.45Å; S251-K255 PolarHBondContact O-N 2.78Å
252	T	98.6	Very high	98.5	Very high	7 Å²	7	71.8 Å²	71.8	4%	0.043	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-41.9	176.2	-49.1	0	0	0	0	111.5	W122 Y126 E181 N185 R249 K250 K255 L256	W122-T252 HydrophobicContact CH2-CG2 3.91Å; W122-T252 HydrophobicContact CZ2-CG2 3.87Å; Y126-T252 HydrophobicContact CE1-CG2 4.22Å; E181-T252 HydrophobicContact CB-CG2 3.84Å; N185-T252 PolarHBondContact ND2-OG1 3.25Å; R249-T252 PolarHBondContact O-N 2.94Å; K250-T252 PolarHBondContact O-N 2.58Å; T252-K255 PolarHBondContact O-N 2.68Å; T252-L256 PolarHBondContact O-N 3.43Å
253	I	98.8	Very high	98.5	Very high	13 Å²	13	70.7 Å²	70.7	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-50.5	177.6	-69	167.5	0	0	0	111.1	W122 L123 Y126 R249 K250 K255 L256 R257	W122-I253 HydrophobicContact CH2-CG1 4.26Å; W122-I253 HydrophobicContact CZ3-CG1 4.49Å; L123-I253 HydrophobicContact CD2-CG2 3.91Å; Y126-I253 HydrophobicContact CD1-CD1 4.14Å; Y126-I253 HydrophobicContact CD1-CG1 3.77Å; Y126-I253 HydrophobicContact CE1-CG1 4.43Å; R249-I253 HydrophobicContact CB-CD1 4.04Å; R249-I253 WeakPolarHBondContact O-CG1 3.42Å; R249-I253 PolarHBondContact O-N 3.46Å; R249-I253 VanDerWaalsContact O-N 3.09Å; K250-I253 PolarHBondContact O-N 3.06Å; I253-K255 VanDerWaalsContact C-N 3.28Å; I253-K255 PolarHBondContact O-N 3.3Å; I253-L256 PolarHBondContact O-N 3.3Å; I253-R257 HydrophobicContact CG2-CG 4.37Å; I253-R257 WeakPolarHBondContact O-CG 3.41Å; I253-R257 PolarHBondContact O-N 3.43Å
254	E	98.7	Very high	98.5	Very high	69 Å²	69	66.8 Å²	66.8	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-35.4	-178.3	-69.9	-53.5	133.7	0	0	111.4	K250 L256 R257 S258	K250-E254 HydrophobicContact CG-CG 3.94Å; K250-E254 WeakPolarHBondContact O-CB 3.41Å; K250-E254 WeakPolarHBondContact O-CG 3.06Å; K250-E254 PolarHBondContact O-N 3Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 PolarHBondContact O-N 3.02Å; E254-R257 PolarHBondContact O-N 2.84Å; E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH1 2.85Å; E254-R257 PolarHBondContact OE1-NH1 3.41Å; E254-S258 WeakPolarHBondContact O-CB 3.4Å; E254-S258 PolarHBondContact O-N 3.38Å; E254-S258 PolarHBondContact O-OG 2.89Å; E254-S258 VanDerWaalsContact O-OG 3.08Å
255	K	98.6	Very high	98.5	Very high	94 Å²	94	67.3 Å²	67.3	41%	0.409	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-43.3	174.1	-169.6	178.5	180	175.8	0	112.5	F177 E181 S251 T252 I253 N259	F177-K255 HydrophobicContact CD2-CD 4.18Å; F177-K255 HydrophobicContact CE2-CB 4.39Å; F177-K255 HydrophobicContact CE2-CD 3.88Å; F177-K255 HydrophobicContact CE2-CG 3.79Å; F177-K255 HydrophobicContact CZ-CG 4.4Å; E181-K255 IonicContact OE1-NZ 2.66Å; E181-K255 PolarHBondContact OE1-NZ 3.23Å; S251-K255 WeakPolarHBondContact O-CB 3.45Å; S251-K255 PolarHBondContact O-N 2.78Å; T252-K255 PolarHBondContact O-N 2.68Å; I253-K255 VanDerWaalsContact C-N 3.28Å; I253-K255 PolarHBondContact O-N 3.3Å; K255-N259 PolarHBondContact O-N 2.98Å; K255-N259 PolarHBondContact O-ND2 2.76Å
256	L	98.6	Very high	98.5	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-67.7	-46.7	173.5	179.8	57.7	0	0	0	111.7	Q119 W122 L123 F177 W178 T252 I253 E254 S258 N259 R260 D263	Q119-L256 HydrophobicContact CB-CD2 4.25Å; Q119-L256 HydrophobicContact CG-CD1 4.34Å; Q119-L256 HydrophobicContact CG-CD2 4.25Å; W122-L256 HydrophobicContact CD2-CD2 4.4Å; W122-L256 HydrophobicContact CE3-CD2 3.39Å; W122-L256 HydrophobicContact CZ3-CB 3.9Å; W122-L256 HydrophobicContact CZ3-CD2 3.47Å; W122-L256 VanDerWaalsContact CZ3-CD2 3.47Å; W122-L256 HydrophobicContact CZ3-CG 4.32Å; L123-L256 HydrophobicContact CD1-CD2 4.36Å; L123-L256 HydrophobicContact CD2-CD2 4.13Å; L123-L256 HydrophobicContact CG-CD2 4.01Å; F177-L256 HydrophobicContact CE1-CD1 4.37Å; F177-L256 HydrophobicContact CZ-CB 4.31Å; F177-L256 HydrophobicContact CZ-CD1 4.02Å; W178-L256 HydrophobicContact CD2-CD2 4.07Å; W178-L256 HydrophobicContact CE3-CD2 4.5Å; W178-L256 HydrophobicContact CG-CD1 4.19Å; W178-L256 HydrophobicContact CG-CD2 4.05Å; T252-L256 PolarHBondContact O-N 3.43Å; I253-L256 PolarHBondContact O-N 3.3Å; E254-L256 VanDerWaalsContact C-N 3.33Å; E254-L256 PolarHBondContact O-N 3.02Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.76Å; L256-N259 CarbonylContact O-C 3.46Å; L256-N259 PolarHBondContact O-N 3.18Å; L256-N259 VanDerWaalsContact O-N 3.09Å; L256-R260 VanDerWaalsContact O-CA 3.3Å; L256-R260 WeakPolarHBondContact O-CA 3.29Å; L256-R260 WeakPolarHBondContact O-CB 3.45Å; L256-R260 PolarHBondContact O-N 2.82Å; L256-D263 HydrophobicContact CD1-CB 4.36Å
257	R	98.4	Very high	98.5	Very high	140 Å²	140	69.3 Å²	69.3	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-55.9	-45.4	-179.6	-73.9	177.6	170	173.9	-5.7	112.5	L123 I253 E254 N259	L123-R257 HydrophobicContact CD2-CG 3.97Å; I253-R257 HydrophobicContact CG2-CG 4.37Å; I253-R257 WeakPolarHBondContact O-CG 3.41Å; I253-R257 PolarHBondContact O-N 3.43Å; E254-R257 PolarHBondContact O-N 2.84Å; E254-R257 IonicContact OE1-CZ 3.84Å; E254-R257 IonicContact OE1-NH1 2.85Å; E254-R257 PolarHBondContact OE1-NH1 3.41Å; R257-N259 VanDerWaalsContact C-N 3.28Å; R257-N259 PolarHBondContact O-N 3.25Å
258	S	98.3	Very high	98.5	Very high	96 Å²	96	63.3 Å²	63.3	67%	0.671	32%	0.321	S	S	*	.	H	α-helix	trans	-69.6	-22.5	-179.9	-57.1	0	0	0	0	113.9	E254 L256	E254-S258 WeakPolarHBondContact O-CB 3.4Å; E254-S258 PolarHBondContact O-N 3.38Å; E254-S258 PolarHBondContact O-OG 2.89Å; E254-S258 VanDerWaalsContact O-OG 3.08Å; L256-S258 VanDerWaalsContact C-N 3.32Å; L256-S258 PolarHBondContact O-N 2.76Å
259	N	97.9	Very high	98.4	Very high	78 Å²	78	61.7 Å²	61.7	42%	0.417	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	14.6	-175.6	-64.4	-79.6	0	0	0	112.8	K255 L256 R257 E261 A262 D263	K255-N259 PolarHBondContact O-N 2.98Å; K255-N259 PolarHBondContact O-ND2 2.76Å; L256-N259 CarbonylContact O-C 3.46Å; L256-N259 PolarHBondContact O-N 3.18Å; L256-N259 VanDerWaalsContact O-N 3.09Å; R257-N259 VanDerWaalsContact C-N 3.28Å; R257-N259 PolarHBondContact O-N 3.25Å; N259-E261 PolarHBondContact O-N 3.47Å; N259-A262 PolarHBondContact O-N 3.35Å; N259-D263 WeakPolarHBondContact O-CB 3.37Å; N259-D263 PolarHBondContact O-N 3.38Å
260	R	98.1	Very high	98.4	Very high	53 Å²	53	62.9 Å²	62.9	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-48.3	-163.4	-167.7	179	175	-172.5	-1.1	113.6	K116 Q119 E120 L256 D263 I264	K116-R260 VanDerWaalsContact CG-NH2 3.32Å; K116-R260 PolarHBondContact O-NH2 3.01Å; Q119-R260 PolarHBondContact NE2-O 2.89Å; E120-R260 VanDerWaalsContact CG-NH2 3.28Å; E120-R260 IonicContact OE1-CZ 2.79Å; E120-R260 IonicContact OE1-NH1 2.64Å; E120-R260 PolarHBondContact OE1-NH1 3.41Å; E120-R260 IonicContact OE1-NH2 3.7Å; E120-R260 PolarHBondContact OE1-NH2 3.45Å; L256-R260 VanDerWaalsContact O-CA 3.3Å; L256-R260 WeakPolarHBondContact O-CA 3.29Å; L256-R260 WeakPolarHBondContact O-CB 3.45Å; L256-R260 PolarHBondContact O-N 2.82Å; R260-D263 PolarHBondContact O-N 3.01Å; R260-I264 HydrophobicContact CG-CD1 4.49Å; R260-I264 WeakPolarHBondContact O-CG1 3.42Å; R260-I264 PolarHBondContact O-N 3.14Å
261	E	98.4	Very high	98.4	Very high	115 Å²	115	57.2 Å²	57.2	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-43	179.3	-172.7	55.4	-141.5	0	0	110.9	N259 D263 I264 Q265	N259-E261 PolarHBondContact O-N 3.47Å; E261-D263 VanDerWaalsContact C-N 3.31Å; E261-D263 PolarHBondContact O-N 3.47Å; E261-I264 WeakPolarHBondContact O-CB 3.41Å; E261-I264 PolarHBondContact O-N 3.37Å; E261-I264 VanDerWaalsContact O-N 3.17Å; E261-Q265 WeakPolarHBondContact O-CG 3.34Å; E261-Q265 PolarHBondContact O-N 3.47Å; E261-Q265 PolarHBondContact OE1-NE2 3.49Å
262	A	98.4	Very high	98.3	Very high	49 Å²	49	55.4 Å²	55.4	41%	0.405	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-40.1	175.6	0	0	0	0	0	112	N259 Q265 N266	N259-A262 PolarHBondContact O-N 3.35Å; A262-Q265 PolarHBondContact O-N 2.94Å; A262-N266 VanDerWaalsContact O-CB 3.32Å; A262-N266 WeakPolarHBondContact O-CB 3.34Å; A262-N266 PolarHBondContact O-N 3.02Å; A262-N266 PolarHBondContact O-ND2 3.41Å; A262-N266 VanDerWaalsContact O-ND2 3.13Å
263	D	98.6	Very high	98.3	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.08	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-40.3	175	-172.7	73.5	0	0	0	112	W115 Q119 F177 W178 L256 N259 R260 E261 N266 F267	W115-D263 PolarHBondContact NE1-OD2 3.5Å; Q119-D263 PolarHBondContact NE2-OD2 2.95Å; F177-D263 HydrophobicContact CE1-CB 4.29Å; F177-D263 WeakPolarHBondContact CE1-OD1 3.45Å; W178-D263 PolarHBondContact NE1-OD2 3.33Å; L256-D263 HydrophobicContact CD1-CB 4.36Å; N259-D263 WeakPolarHBondContact O-CB 3.37Å; N259-D263 PolarHBondContact O-N 3.38Å; R260-D263 PolarHBondContact O-N 3.01Å; E261-D263 VanDerWaalsContact C-N 3.31Å; E261-D263 PolarHBondContact O-N 3.47Å; D263-N266 PolarHBondContact O-N 3.14Å; D263-F267 WeakPolarHBondContact O-CB 3.38Å; D263-F267 PolarHBondContact O-N 3.18Å
264	I	98.7	Very high	98.2	Very high	11 Å²	11	68.4 Å²	68.4	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-50.3	173	-66.3	163.5	0	0	0	110.7	K116 R260 E261 N266 F267 V268	K116-I264 HydrophobicContact CB-CD1 4.12Å; K116-I264 HydrophobicContact CG-CD1 4.35Å; R260-I264 HydrophobicContact CG-CD1 4.49Å; R260-I264 WeakPolarHBondContact O-CG1 3.42Å; R260-I264 PolarHBondContact O-N 3.14Å; E261-I264 WeakPolarHBondContact O-CB 3.41Å; E261-I264 PolarHBondContact O-N 3.37Å; E261-I264 VanDerWaalsContact O-N 3.17Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 3.35Å; I264-F267 PolarHBondContact O-N 2.95Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 2.93Å
265	Q	98.4	Very high	98.1	Very high	86 Å²	86	68.6 Å²	68.6	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-40.4	179.6	-63.6	-55.8	-33.5	0	0	111.7	E261 A262 V268 N269	E261-Q265 WeakPolarHBondContact O-CG 3.34Å; E261-Q265 PolarHBondContact O-N 3.47Å; E261-Q265 PolarHBondContact OE1-NE2 3.49Å; A262-Q265 PolarHBondContact O-N 2.94Å; Q265-V268 PolarHBondContact O-N 2.66Å; Q265-N269 VanDerWaalsContact O-CB 3.26Å; Q265-N269 WeakPolarHBondContact O-CB 3.44Å; Q265-N269 PolarHBondContact O-N 2.64Å; Q265-N269 PolarHBondContact O-ND2 3.22Å; Q265-N269 VanDerWaalsContact O-ND2 3.13Å
266	N	98.3	Very high	98	Very high	105 Å²	105	64.9 Å²	64.9	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-44.4	175.6	-72.6	-25.8	0	0	0	111.8	A262 D263 I264 F270	A262-N266 VanDerWaalsContact O-CB 3.32Å; A262-N266 WeakPolarHBondContact O-CB 3.34Å; A262-N266 PolarHBondContact O-N 3.02Å; A262-N266 PolarHBondContact O-ND2 3.41Å; A262-N266 VanDerWaalsContact O-ND2 3.13Å; D263-N266 PolarHBondContact O-N 3.14Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 3.35Å; N266-F270 VanDerWaalsContact O-CB 3.22Å; N266-F270 WeakPolarHBondContact O-CB 3.38Å; N266-F270 PolarHBondContact O-N 2.92Å
267	F	98.4	Very high	98	Very high	20 Å²	20	66.4 Å²	66.4	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-50.4	175	169.6	-100.3	0	0	0	111.4	M103 C111 F114 W115 D263 I264 N269 F270 I271	M103-F267 HydrophobicContact CG-CZ 4.02Å; M103-F267 HydrophobicContact SD-CE2 4.11Å; M103-F267 HydrophobicContact SD-CZ 3.95Å; C111-F267 HydrophobicContact CB-CE1 4.02Å; C111-F267 WeakPolarHBondContact O-CE1 3.39Å; F114-F267 HydrophobicContact CD1-CZ 4.43Å; W115-F267 HydrophobicContact CB-CD1 3.43Å; W115-F267 VanDerWaalsContact CB-CD1 3.43Å; W115-F267 HydrophobicContact CB-CE1 3.77Å; W115-F267 HydrophobicContact CB-CG 4.06Å; W115-F267 HydrophobicContact CD2-CB 3.82Å; W115-F267 AromaticContact CD2-CD1 3.69Å; W115-F267 HydrophobicContact CD2-CD1 3.69Å; W115-F267 AromaticContact CD2-CD2 3.6Å; W115-F267 HydrophobicContact CD2-CD2 3.6Å; W115-F267 HydrophobicContact CD2-CE1 4.12Å; W115-F267 HydrophobicContact CD2-CE2 4.05Å; W115-F267 AromaticContact CD2-CG 3.39Å; W115-F267 HydrophobicContact CD2-CG 3.39Å; W115-F267 HydrophobicContact CD2-CZ 4.28Å; W115-F267 AromaticContact CE2-CD2 3.96Å; W115-F267 AromaticContact CE2-CG 3.83Å; W115-F267 AromaticContact CE3-CD1 3.93Å; W115-F267 HydrophobicContact CE3-CD1 3.93Å; W115-F267 AromaticContact CE3-CD2 3.43Å; W115-F267 HydrophobicContact CE3-CD2 3.43Å; W115-F267 VanDerWaalsContact CE3-CD2 3.43Å; W115-F267 AromaticContact CE3-CE1 3.9Å; W115-F267 HydrophobicContact CE3-CE1 3.9Å; W115-F267 AromaticContact CE3-CE2 3.42Å; W115-F267 HydrophobicContact CE3-CE2 3.42Å; W115-F267 VanDerWaalsContact CE3-CE2 3.42Å; W115-F267 AromaticContact CE3-CG 3.69Å; W115-F267 HydrophobicContact CE3-CG 3.69Å; W115-F267 AromaticContact CE3-CZ 3.65Å; W115-F267 HydrophobicContact CE3-CZ 3.65Å; W115-F267 HydrophobicContact CG-CB 3.79Å; W115-F267 AromaticContact CG-CD1 3.49Å; W115-F267 HydrophobicContact CG-CD1 3.49Å; W115-F267 VanDerWaalsContact CG-CD1 3.49Å; W115-F267 HydrophobicContact CG-CD2 4.27Å; W115-F267 HydrophobicContact CG-CE1 4.11Å; W115-F267 AromaticContact CG-CG 3.56Å; W115-F267 HydrophobicContact CG-CG 3.56Å; W115-F267 HydrophobicContact CH2-CD2 4.01Å; W115-F267 HydrophobicContact CH2-CE2 4.33Å; W115-F267 HydrophobicContact CZ2-CB 4.47Å; W115-F267 HydrophobicContact CZ2-CD2 4.17Å; W115-F267 HydrophobicContact CZ2-CG 4.46Å; W115-F267 AromaticContact CZ3-CD2 3.65Å; W115-F267 HydrophobicContact CZ3-CD2 3.65Å; W115-F267 AromaticContact CZ3-CE2 3.58Å; W115-F267 HydrophobicContact CZ3-CE2 3.58Å; W115-F267 HydrophobicContact CZ3-CG 4.32Å; W115-F267 HydrophobicContact CZ3-CZ 4.2Å; D263-F267 WeakPolarHBondContact O-CB 3.38Å; D263-F267 PolarHBondContact O-N 3.18Å; I264-F267 PolarHBondContact O-N 2.95Å; F267-N269 PolarHBondContact O-N 3.38Å; F267-F270 PolarHBondContact O-N 3.27Å; F267-F270 VanDerWaalsContact O-N 3.13Å; F267-I271 HydrophobicContact CD1-CG2 4.3Å; F267-I271 HydrophobicContact CD2-CB 4.45Å; F267-I271 HydrophobicContact CE1-CB 4.43Å; F267-I271 HydrophobicContact CE1-CG2 3.9Å; F267-I271 HydrophobicContact CE2-CB 4.02Å; F267-I271 HydrophobicContact CE2-CD1 4.19Å; F267-I271 HydrophobicContact CE2-CG1 4.07Å; F267-I271 HydrophobicContact CE2-CG2 4.39Å; F267-I271 HydrophobicContact CZ-CB 4.02Å; F267-I271 HydrophobicContact CZ-CD1 4.47Å; F267-I271 HydrophobicContact CZ-CG1 3.95Å; F267-I271 HydrophobicContact CZ-CG2 3.96Å; F267-I271 WeakPolarHBondContact O-CB 3.47Å; F267-I271 WeakPolarHBondContact O-CG2 3.45Å; F267-I271 PolarHBondContact O-N 3.13Å
268	V	98.5	Very high	97.9	Very high	10 Å²	10	66.1 Å²	66.1	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-59.3	-47.8	-179.7	171.8	0	0	0	0	110.7	P108 C111 I264 Q265 F270 T272	P108-V268 HydrophobicContact CB-CG1 3.64Å; C111-V268 HydrophobicContact CB-CG2 4.17Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 2.93Å; Q265-V268 PolarHBondContact O-N 2.66Å; V268-F270 VanDerWaalsContact C-N 3.27Å; V268-F270 PolarHBondContact O-N 3.33Å; V268-T272 HydrophobicContact CG1-CG2 4.36Å; V268-T272 WeakPolarHBondContact O-CB 3.48Å; V268-T272 WeakPolarHBondContact O-CG2 3.4Å; V268-T272 PolarHBondContact O-N 3.22Å; V268-T272 PolarHBondContact O-OG1 2.92Å
269	N	98	Very high	97.7	Very high	97 Å²	97	63.5 Å²	63.5	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-31.5	177.5	-72	-26.6	0	0	0	113	Q265 F267 K273	Q265-N269 VanDerWaalsContact O-CB 3.26Å; Q265-N269 WeakPolarHBondContact O-CB 3.44Å; Q265-N269 PolarHBondContact O-N 2.64Å; Q265-N269 PolarHBondContact O-ND2 3.22Å; Q265-N269 VanDerWaalsContact O-ND2 3.13Å; F267-N269 PolarHBondContact O-N 3.38Å; N269-K273 WeakPolarHBondContact O-CE 3.42Å; N269-K273 WeakPolarHBondContact O-CG 3.44Å
270	F	97.9	Very high	97.6	Very high	52 Å²	52	59.8 Å²	59.8	23%	0.228	31%	0.305	C	S	.	.	H	α-helix	trans	-76.9	-53.2	177.5	174.7	-99.8	0	0	0	111.5	I173 V174 N266 F267 V268 T272 K273 I276	I173-F270 HydrophobicContact CB-CE1 4.07Å; I173-F270 HydrophobicContact CG2-CE1 4.04Å; V174-F270 HydrophobicContact CG2-CE1 4.41Å; V174-F270 HydrophobicContact CG2-CZ 4.29Å; N266-F270 VanDerWaalsContact O-CB 3.22Å; N266-F270 WeakPolarHBondContact O-CB 3.38Å; N266-F270 PolarHBondContact O-N 2.92Å; F267-F270 PolarHBondContact O-N 3.27Å; F267-F270 VanDerWaalsContact O-N 3.13Å; V268-F270 VanDerWaalsContact C-N 3.27Å; V268-F270 PolarHBondContact O-N 3.33Å; F270-T272 VanDerWaalsContact C-N 3.28Å; F270-T272 PolarHBondContact O-N 2.93Å; F270-K273 WeakPolarHBondContact O-CB 3.43Å; F270-K273 WeakPolarHBondContact O-CG 3.39Å; F270-K273 PolarHBondContact O-N 3.34Å; F270-I276 HydrophobicContact CD2-CG1 4.49Å; F270-I276 HydrophobicContact CE1-CD1 4.16Å; F270-I276 HydrophobicContact CE1-CG1 4.29Å; F270-I276 HydrophobicContact CE1-CG2 4.19Å; F270-I276 HydrophobicContact CE2-CD1 3.77Å; F270-I276 HydrophobicContact CE2-CG1 4.1Å; F270-I276 HydrophobicContact CZ-CD1 3.49Å; F270-I276 VanDerWaalsContact CZ-CD1 3.49Å; F270-I276 HydrophobicContact CZ-CG1 3.99Å; F270-I276 WeakPolarHBondContact O-CG1 3.32Å
271	I	97.6	Very high	97.4	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-28.1	-170.3	-157.3	66.4	0	0	0	112.1	M103 C111 I173 F267 K273 I276 Q277 L280	M103-I271 HydrophobicContact CB-CD1 4.17Å; M103-I271 HydrophobicContact CB-CG1 3.87Å; M103-I271 HydrophobicContact CG-CG1 4.33Å; M103-I271 HydrophobicContact SD-CD1 4.06Å; M103-I271 HydrophobicContact SD-CG1 4.43Å; C111-I271 HydrophobicContact CB-CG2 4.06Å; I173-I271 HydrophobicContact CG2-CD1 4.21Å; F267-I271 HydrophobicContact CD1-CG2 4.3Å; F267-I271 HydrophobicContact CD2-CB 4.45Å; F267-I271 HydrophobicContact CE1-CB 4.43Å; F267-I271 HydrophobicContact CE1-CG2 3.9Å; F267-I271 HydrophobicContact CE2-CB 4.02Å; F267-I271 HydrophobicContact CE2-CD1 4.19Å; F267-I271 HydrophobicContact CE2-CG1 4.07Å; F267-I271 HydrophobicContact CE2-CG2 4.39Å; F267-I271 HydrophobicContact CZ-CB 4.02Å; F267-I271 HydrophobicContact CZ-CD1 4.47Å; F267-I271 HydrophobicContact CZ-CG1 3.95Å; F267-I271 HydrophobicContact CZ-CG2 3.96Å; F267-I271 WeakPolarHBondContact O-CB 3.47Å; F267-I271 WeakPolarHBondContact O-CG2 3.45Å; F267-I271 PolarHBondContact O-N 3.13Å; I271-K273 VanDerWaalsContact C-N 3.33Å; I271-I276 HydrophobicContact CD1-CG2 3.87Å; I271-Q277 PolarHBondContact O-NE2 2.81Å; I271-L280 HydrophobicContact CD1-CD1 3.92Å; I271-L280 HydrophobicContact CG1-CD1 4.32Å
272	T	97.1	Very high	97.2	Very high	53 Å²	53	63 Å²	63	33%	0.325	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.1	-179.8	56.3	0	0	0	0	114.1	P108 V268 F270	P108-T272 HydrophobicContact CG-CG2 4.33Å; V268-T272 HydrophobicContact CG1-CG2 4.36Å; V268-T272 WeakPolarHBondContact O-CB 3.48Å; V268-T272 WeakPolarHBondContact O-CG2 3.4Å; V268-T272 PolarHBondContact O-N 3.22Å; V268-T272 PolarHBondContact O-OG1 2.92Å; F270-T272 VanDerWaalsContact C-N 3.28Å; F270-T272 PolarHBondContact O-N 2.93Å
273	K	97.8	Very high	96.8	Very high	114 Å²	114	63 Å²	63	50%	0.496	31%	0.308	S	S	.	.	S	Bend	trans	-60.6	138.6	175.3	-69.3	174.8	-178.1	179.3	0	110.9	N269 F270 I271 S275 I276 Q277	N269-K273 WeakPolarHBondContact O-CE 3.42Å; N269-K273 WeakPolarHBondContact O-CG 3.44Å; F270-K273 WeakPolarHBondContact O-CB 3.43Å; F270-K273 WeakPolarHBondContact O-CG 3.39Å; F270-K273 PolarHBondContact O-N 3.34Å; I271-K273 VanDerWaalsContact C-N 3.33Å; K273-S275 VanDerWaalsContact C-N 3.27Å; K273-S275 PolarHBondContact O-N 2.84Å; K273-I276 HydrophobicContact CB-CB 4.33Å; K273-I276 HydrophobicContact CB-CG1 3.98Å; K273-I276 PolarHBondContact O-N 3.38Å; K273-Q277 PolarHBondContact O-N 2.86Å
274	E	97.2	Very high	96.5	Very high	178 Å²	178	63.9 Å²	63.9	83%	0.832	31%	0.312	S	S	*	.	H	α-helix	trans	-55.2	-41.1	179.9	-66.3	-174.7	171.1	0	0	113	I276 Q277 K278	E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 3.33Å; E274-Q277 PolarHBondContact O-N 3.4Å; E274-K278 WeakPolarHBondContact O-CB 3.44Å; E274-K278 PolarHBondContact O-N 3.43Å
275	S	96.6	Very high	96.1	Very high	74 Å²	74	67.9 Å²	67.9	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-37.1	177.7	55.5	0	0	0	0	112.8	K273 S279	K273-S275 VanDerWaalsContact C-N 3.27Å; K273-S275 PolarHBondContact O-N 2.84Å; S275-S279 PolarHBondContact O-N 3.38Å; S275-S279 VanDerWaalsContact O-N 3.12Å; S275-S279 PolarHBondContact O-OG 3.38Å
276	I	97.3	Very high	95.7	Very high	16 Å²	16	67 Å²	67	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-74.2	-45.2	178.1	-57.8	-57.1	0	0	0	110	G172 I173 F270 I271 K273 E274 K278 S279 L280	G172-I276 WeakPolarHBondContact O-CD1 3.44Å; I173-I276 HydrophobicContact CG2-CG2 3.93Å; F270-I276 HydrophobicContact CD2-CG1 4.49Å; F270-I276 HydrophobicContact CE1-CD1 4.16Å; F270-I276 HydrophobicContact CE1-CG1 4.29Å; F270-I276 HydrophobicContact CE1-CG2 4.19Å; F270-I276 HydrophobicContact CE2-CD1 3.77Å; F270-I276 HydrophobicContact CE2-CG1 4.1Å; F270-I276 HydrophobicContact CZ-CD1 3.49Å; F270-I276 VanDerWaalsContact CZ-CD1 3.49Å; F270-I276 HydrophobicContact CZ-CG1 3.99Å; F270-I276 WeakPolarHBondContact O-CG1 3.32Å; I271-I276 HydrophobicContact CD1-CG2 3.87Å; K273-I276 HydrophobicContact CB-CB 4.33Å; K273-I276 HydrophobicContact CB-CG1 3.98Å; K273-I276 PolarHBondContact O-N 3.38Å; E274-I276 VanDerWaalsContact C-N 3.31Å; E274-I276 PolarHBondContact O-N 3.33Å; I276-K278 VanDerWaalsContact C-N 3.26Å; I276-K278 PolarHBondContact O-N 3.24Å; I276-S279 WeakPolarHBondContact O-CA 3.3Å; I276-S279 WeakPolarHBondContact O-CB 3.22Å; I276-S279 PolarHBondContact O-N 3.21Å; I276-L280 WeakPolarHBondContact O-CG 3.22Å; I276-L280 PolarHBondContact O-N 2.87Å
277	Q	97.7	Very high	95.1	Very high	31 Å²	31	65.2 Å²	65.2	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-37.7	174.4	-70.9	-65.1	-50.5	0	0	112.5	M103 Y104 I271 K273 E274 R281	M103-Q277 PolarHBondContact O-NE2 3.4Å; Y104-Q277 WeakPolarHBondContact CE2-O 3.4Å; I271-Q277 PolarHBondContact O-NE2 2.81Å; K273-Q277 PolarHBondContact O-N 2.86Å; E274-Q277 PolarHBondContact O-N 3.4Å; Q277-R281 PolarHBondContact O-N 3.08Å
278	K	96	Very high	94.4	Very high	135 Å²	135	71.2 Å²	71.2	59%	0.587	34%	0.344	S	S	*	.	H	α-helix	trans	-63.2	-43.7	172.2	-174.9	179.3	178.3	-178.5	0	111.8	E274 I276 R281 M282	E274-K278 WeakPolarHBondContact O-CB 3.44Å; E274-K278 PolarHBondContact O-N 3.43Å; I276-K278 VanDerWaalsContact C-N 3.26Å; I276-K278 PolarHBondContact O-N 3.24Å; K278-R281 WeakPolarHBondContact O-CB 3.39Å; K278-R281 PolarHBondContact O-N 3.09Å; K278-M282 HydrophobicContact CG-SD 4.3Å; K278-M282 WeakPolarHBondContact O-CG 3.37Å; K278-M282 PolarHBondContact O-N 3.41Å
279	S	95.4	Very high	93.7	Very high	40 Å²	40	77.3 Å²	77.3	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-44	178.2	-56.3	0	0	0	0	111.6	L171 S275 I276 R281 M282 Y283	L171-S279 WeakPolarHBondContact O-CB 3.46Å; S275-S279 PolarHBondContact O-N 3.38Å; S275-S279 VanDerWaalsContact O-N 3.12Å; S275-S279 PolarHBondContact O-OG 3.38Å; I276-S279 WeakPolarHBondContact O-CA 3.3Å; I276-S279 WeakPolarHBondContact O-CB 3.22Å; I276-S279 PolarHBondContact O-N 3.21Å; S279-R281 PolarHBondContact O-N 2.92Å; S279-M282 PolarHBondContact O-N 3.32Å; S279-Y283 PolarHBondContact O-N 2.8Å
280	L	95.1	Very high	92.7	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-44.3	174.4	-64.3	-178.1	0	0	0	112	I100 M103 Y104 I173 I271 I276 Y283 M284	I100-L280 HydrophobicContact CG2-CB 4.2Å; I100-L280 HydrophobicContact CG2-CD2 4.11Å; M103-L280 HydrophobicContact CB-CD1 3.97Å; Y104-L280 HydrophobicContact CD2-CB 4.04Å; I173-L280 HydrophobicContact CG2-CD2 4.08Å; I271-L280 HydrophobicContact CD1-CD1 3.92Å; I271-L280 HydrophobicContact CG1-CD1 4.32Å; I276-L280 WeakPolarHBondContact O-CG 3.22Å; I276-L280 PolarHBondContact O-N 2.87Å; L280-Y283 PolarHBondContact O-N 3.44Å; L280-M284 VanDerWaalsContact O-CG 3.31Å; L280-M284 WeakPolarHBondContact O-CG 3.49Å; L280-M284 PolarHBondContact O-N 3.4Å
281	R	94.9	Very high	91.1	Very high	124 Å²	124	85.7 Å²	85.7	47%	0.468	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-51	175.7	-176.2	-175.4	-62.6	171.8	0.2	111.6	Y104 Q277 K278 S279 Y283 M284 E285	Y104-R281 HydrophobicContact CD2-CB 4.45Å; Y104-R281 HydrophobicContact CE2-CB 3.68Å; Y104-R281 HydrophobicContact CE2-CG 4.38Å; Y104-R281 PolarHBondContact OH-NE 2.85Å; Y104-R281 PolarHBondContact OH-NH2 3.1Å; Y104-R281 VanDerWaalsContact OH-NH2 3.11Å; Q277-R281 PolarHBondContact O-N 3.08Å; K278-R281 WeakPolarHBondContact O-CB 3.39Å; K278-R281 PolarHBondContact O-N 3.09Å; S279-R281 PolarHBondContact O-N 2.92Å; R281-Y283 VanDerWaalsContact C-N 3.29Å; R281-Y283 PolarHBondContact O-N 2.89Å; R281-M284 WeakPolarHBondContact O-CB 3.45Å; R281-M284 PolarHBondContact O-N 2.9Å; R281-E285 WeakPolarHBondContact O-CG 3.48Å; R281-E285 PolarHBondContact O-N 2.93Å
282	M	93.4	Very high	88.9	Confident	112 Å²	112	92.2 Å²	92.2	55%	0.552	46%	0.457	S	S	*	.	H	α-helix	trans	-59.9	-41.4	-179.1	-71.9	177.7	63.5	0	0	111.5	K278 S279 E285 M286	K278-M282 HydrophobicContact CG-SD 4.3Å; K278-M282 WeakPolarHBondContact O-CG 3.37Å; K278-M282 PolarHBondContact O-N 3.41Å; S279-M282 PolarHBondContact O-N 3.32Å; M282-E285 PolarHBondContact O-N 2.67Å; M282-M286 PolarHBondContact O-N 3.17Å
283	Y	90.8	Very high	88.5	Confident	49 Å²	49	94.2 Å²	94.2	19%	0.192	46%	0.464	C	S	.	.	H	α-helix	trans	-65.4	-42.4	176.7	-175.3	-98.8	0	0	0	112.2	I100 L171 S279 L280 R281 E285 M286 L287	I100-Y283 HydrophobicContact CD1-CD1 3.29Å; I100-Y283 HydrophobicContact CD1-CE1 3.35Å; L171-Y283 HydrophobicContact CD1-CD2 4.07Å; L171-Y283 HydrophobicContact CD1-CE1 4.24Å; L171-Y283 HydrophobicContact CD1-CE2 3.59Å; L171-Y283 HydrophobicContact CD2-CD1 3.92Å; L171-Y283 HydrophobicContact CD2-CE1 3.72Å; L171-Y283 HydrophobicContact CD2-CE2 4.46Å; L171-Y283 HydrophobicContact CD2-CG 4.34Å; L171-Y283 HydrophobicContact CG-CD1 3.87Å; L171-Y283 HydrophobicContact CG-CD2 3.7Å; L171-Y283 HydrophobicContact CG-CE1 3.82Å; L171-Y283 HydrophobicContact CG-CE2 3.69Å; L171-Y283 HydrophobicContact CG-CG 3.79Å; S279-Y283 PolarHBondContact O-N 2.8Å; L280-Y283 PolarHBondContact O-N 3.44Å; R281-Y283 VanDerWaalsContact C-N 3.29Å; R281-Y283 PolarHBondContact O-N 2.89Å; Y283-E285 VanDerWaalsContact C-N 3.31Å; Y283-E285 PolarHBondContact O-N 3.17Å; Y283-M286 HydrophobicContact CD2-CE 3.42Å; Y283-M286 VanDerWaalsContact CD2-CE 3.42Å; Y283-M286 HydrophobicContact CE2-CE 3.31Å; Y283-M286 HydrophobicContact CG-CE 4.36Å; Y283-M286 WeakPolarHBondContact O-CB 3.19Å; Y283-M286 PolarHBondContact O-N 2.95Å; Y283-L287 HydrophobicContact CD1-CD1 3.9Å; Y283-L287 HydrophobicContact CD1-CG 4.14Å; Y283-L287 HydrophobicContact CE1-CD1 3.43Å; Y283-L287 VanDerWaalsContact CE1-CD1 3.43Å; Y283-L287 HydrophobicContact CE1-CD2 4.23Å; Y283-L287 HydrophobicContact CE1-CG 3.79Å; Y283-L287 WeakPolarHBondContact O-CG 3.26Å; Y283-L287 PolarHBondContact O-N 3.1Å
284	M	90.7	Very high	88	Confident	33 Å²	33	93.2 Å²	93.2	16%	0.163	46%	0.462	C	S	.	.	H	α-helix	trans	-60.9	-39.5	174.9	-72.5	174.8	57.7	0	0	112.4	I100 L101 Y104 L280 R281 L287 K288	I100-M284 HydrophobicContact CG2-CG 3.83Å; I100-M284 HydrophobicContact CG2-SD 3.84Å; L101-M284 HydrophobicContact CD2-CE 3.32Å; L101-M284 HydrophobicContact CD2-SD 4.15Å; Y104-M284 HydrophobicContact CD1-CE 4.07Å; Y104-M284 HydrophobicContact CD1-SD 3.63Å; Y104-M284 HydrophobicContact CE1-SD 4.36Å; Y104-M284 HydrophobicContact CG-SD 3.77Å; L280-M284 VanDerWaalsContact O-CG 3.31Å; L280-M284 WeakPolarHBondContact O-CG 3.49Å; L280-M284 PolarHBondContact O-N 3.4Å; R281-M284 WeakPolarHBondContact O-CB 3.45Å; R281-M284 PolarHBondContact O-N 2.9Å; M284-L287 PolarHBondContact O-N 3.44Å; M284-K288 WeakPolarHBondContact O-CG 3.35Å; M284-K288 PolarHBondContact O-N 3.13Å; M284-K288 VanDerWaalsContact O-N 3.13Å
285	E	91.5	Very high	87.5	Confident	96 Å²	96	88.4 Å²	88.4	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-44.5	174.9	-72.2	169.8	-177.6	0	0	111.6	R281 M282 Y283 L287 K288 Q289	R281-E285 WeakPolarHBondContact O-CG 3.48Å; R281-E285 PolarHBondContact O-N 2.93Å; M282-E285 PolarHBondContact O-N 2.67Å; Y283-E285 VanDerWaalsContact C-N 3.31Å; Y283-E285 PolarHBondContact O-N 3.17Å; E285-L287 VanDerWaalsContact C-N 3.31Å; E285-L287 PolarHBondContact O-N 3.03Å; E285-K288 WeakPolarHBondContact O-CB 3.38Å; E285-K288 PolarHBondContact O-N 3.31Å; E285-K288 VanDerWaalsContact O-N 3.16Å; E285-Q289 WeakPolarHBondContact O-CG 3.38Å; E285-Q289 PolarHBondContact O-N 3.4Å; E285-Q289 VanDerWaalsContact O-N 3.08Å
286	M	88.9	Confident	86.9	Confident	67 Å²	67	89.3 Å²	89.3	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-58.7	-41.3	174.1	-176.8	-163.7	65	0	0	111.9	M282 Y283 K288 Q289 K290	M282-M286 PolarHBondContact O-N 3.17Å; Y283-M286 HydrophobicContact CD2-CE 3.42Å; Y283-M286 VanDerWaalsContact CD2-CE 3.42Å; Y283-M286 HydrophobicContact CE2-CE 3.31Å; Y283-M286 HydrophobicContact CG-CE 4.36Å; Y283-M286 WeakPolarHBondContact O-CB 3.19Å; Y283-M286 PolarHBondContact O-N 2.95Å; M286-K288 VanDerWaalsContact C-N 3.33Å; M286-K288 PolarHBondContact O-N 3.23Å; M286-Q289 PolarHBondContact O-N 3.29Å; M286-K290 PolarHBondContact O-N 3.13Å
287	L	85.8	Confident	86.3	Confident	68 Å²	68	93.9 Å²	93.9	36%	0.356	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-35.3	177.2	-74.1	-176.5	0	0	0	112.9	Y283 M284 E285 K291	Y283-L287 HydrophobicContact CD1-CD1 3.9Å; Y283-L287 HydrophobicContact CD1-CG 4.14Å; Y283-L287 HydrophobicContact CE1-CD1 3.43Å; Y283-L287 VanDerWaalsContact CE1-CD1 3.43Å; Y283-L287 HydrophobicContact CE1-CD2 4.23Å; Y283-L287 HydrophobicContact CE1-CG 3.79Å; Y283-L287 WeakPolarHBondContact O-CG 3.26Å; Y283-L287 PolarHBondContact O-N 3.1Å; M284-L287 PolarHBondContact O-N 3.44Å; E285-L287 VanDerWaalsContact C-N 3.31Å; E285-L287 PolarHBondContact O-N 3.03Å; L287-K291 PolarHBondContact O-N 3.37Å
288	K	85.3	Confident	85.5	Confident	146 Å²	146	98.1 Å²	98.1	64%	0.635	48%	0.481	S	S	*	.	H	α-helix	trans	-65.9	-40.9	174.4	-71.7	175.9	-178.7	-180	0	111.1	M284 E285 M286 K291 A292	M284-K288 WeakPolarHBondContact O-CG 3.35Å; M284-K288 PolarHBondContact O-N 3.13Å; M284-K288 VanDerWaalsContact O-N 3.13Å; E285-K288 WeakPolarHBondContact O-CB 3.38Å; E285-K288 PolarHBondContact O-N 3.31Å; E285-K288 VanDerWaalsContact O-N 3.16Å; M286-K288 VanDerWaalsContact C-N 3.33Å; M286-K288 PolarHBondContact O-N 3.23Å; K288-K291 PolarHBondContact O-N 2.92Å; K288-A292 PolarHBondContact O-N 3.13Å
289	Q	83.1	Confident	84.8	Confident	138 Å²	138	95.4 Å²	95.4	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-36.3	178.1	-68.1	172	8.9	0	0	112.9	E285 M286 K291 A292	E285-Q289 WeakPolarHBondContact O-CG 3.38Å; E285-Q289 PolarHBondContact O-N 3.4Å; E285-Q289 VanDerWaalsContact O-N 3.08Å; M286-Q289 PolarHBondContact O-N 3.29Å; Q289-K291 PolarHBondContact O-N 2.75Å; Q289-A292 PolarHBondContact O-N 2.85Å
290	K	75.9	Confident	84	Confident	158 Å²	158	99.7 Å²	99.7	69%	0.687	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.1	176.2	-76.3	-174.7	176.8	179.8	0	114.4	M286	M286-K290 PolarHBondContact O-N 3.13Å
291	K	65.7	Low	83	Confident	167 Å²	167	108 Å²	108	73%	0.726	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-19	177.9	-73.9	-176.4	178.7	-177.3	0	113	L287 K288 Q289	L287-K291 PolarHBondContact O-N 3.37Å; K288-K291 PolarHBondContact O-N 2.92Å; Q289-K291 PolarHBondContact O-N 2.75Å
292	A	50.6	Low	82	Confident	138 Å²	138	106.5 Å²	106.5	100%	1.141	53%	0.534	S	S	*	.			trans	-80.9	0	175.1	0	0	0	0	0	110.2	K288 Q289	K288-A292 PolarHBondContact O-N 3.13Å; Q289-A292 PolarHBondContact O-N 2.85Å

Retrieved 292 of 292 residues in 83.6 ms (Link to these results)

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