A0A087YE46_POEFO Loading...

Aldehyde dehydrogenase 9 family, member A1a, tandem duplicate 2

Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine with high efficiency (in vitro). Can catalyze the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction, but with low efficiency.

AlphaFold DB , UniProt , Accession A0A087YE46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 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	Y	34.2	Very low	33.2	Very low	281 Å²	281	179.4 Å²	179.4	100%	1.102	85%	0.853	S	S	*	*				0	97.8	0	-88.4	-93.3	0	0	0	108
2	F	29.7	Very low	33.1	Very low	215 Å²	215	180.4 Å²	180.4	94%	0.943	86%	0.857	S	S	*	*			trans	146.3	64.7	168.3	-84.7	-67.1	0	0	0	108.5
3	S	34.9	Very low	33.6	Very low	104 Å²	104	177.3 Å²	177.3	73%	0.727	84%	0.844	S	S	*	*			trans	-125.8	143.2	152.2	60.9	0	0	0	0	105.5
4	E	35.1	Very low	34.4	Very low	183 Å²	183	171.1 Å²	171.1	86%	0.855	84%	0.837	S	S	*	*			trans	78.7	83	177.4	-54.4	-175	150.9	0	0	116.7
5	T	34.3	Very low	35.6	Very low	130 Å²	130	169.5 Å²	169.5	80%	0.798	83%	0.827	S	S	*	*			trans	-167.8	69.8	136.4	8.7	0	0	0	0	109.9
6	F	35.3	Very low	37.6	Very low	215 Å²	215	159.9 Å²	159.9	94%	0.943	78%	0.782	S	S	*	*			trans	-145.2	73.1	161.9	-102	-82.3	0	0	0	108.1
7	R	33.9	Very low	39.7	Very low	229 Å²	229	150.5 Å²	150.5	86%	0.864	74%	0.736	S	S	*	*			trans	-161.4	135	161.1	-108.6	172.5	-164.5	-155.4	3.4	108.8
8	Y	33.3	Very low	42	Very low	197 Å²	197	142.3 Å²	142.3	77%	0.773	70%	0.696	S	S	*	*			trans	83.2	92.4	177.5	-65.2	-82.8	0	0	0	117.6
9	N	29.8	Very low	43.8	Very low	163 Å²	163	139.3 Å²	139.3	87%	0.872	68%	0.684	S	S	*	*				-149	77.8	127.6	-95	-25	0	0	0	108.4
10	L	35	Very low	45	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	67%	0.67	S	S	*	*			trans	-94	85	158.6	-86.5	159.9	0	0	0	106	M13	L10-M13 HydrophobicContact CD2-CE 4.1Å
11	C	29.3	Very low	46.5	Very low	108 Å²	108	129.2 Å²	129.2	73%	0.73	64%	0.638	S	S	*	*			trans	-136.5	112.6	172.5	-149.6	0	0	0	0	107.3
12	E	32.9	Very low	48.1	Very low	192 Å²	192	119 Å²	119	90%	0.897	61%	0.608	S	S	*	*			trans	41.5	74	175.2	-68.5	-176.2	156.3	0	0	116.2	A14	E12-A14 PolarHBondContact O-N 2.71Å
13	M	38.9	Very low	50.2	Low	140 Å²	140	112.2 Å²	112.2	69%	0.69	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-65.5	117.4	154	-93.4	-175.2	-98.9	0	0	107.5	L10 Q15	L10-M13 HydrophobicContact CD2-CE 4.1Å; M13-Q15 PolarHBondContact O-N 2.71Å
14	A	44.8	Very low	52.6	Low	90 Å²	90	107.6 Å²	107.6	74%	0.744	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-46.5	131	160.5	0	0	0	0	0	108	E12 S16	E12-A14 PolarHBondContact O-N 2.71Å; A14-S16 PolarHBondContact O-N 2.83Å
15	Q	52	Low	55.3	Low	147 Å²	147	101.6 Å²	101.6	69%	0.687	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-48.9	116.5	-177.8	-147.6	161.7	10.7	0	0	108.6	M13 D19	M13-Q15 PolarHBondContact O-N 2.71Å; Q15-D19 HydrophobicContact CG-CB 4.23Å
16	S	68.7	Low	58.3	Low	17 Å²	17	95.7 Å²	95.7	12%	0.119	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-64.8	144.8	-177.5	175.1	0	0	0	0	108	A14 L18 D19 E217	A14-S16 PolarHBondContact O-N 2.83Å; S16-L18 PolarHBondContact O-N 3.06Å; S16-L18 PolarHBondContact OG-N 3.47Å; S16-D19 PolarHBondContact N-OD2 3.27Å; S16-D19 WeakPolarHBondContact O-CB 3.18Å; S16-D19 PolarHBondContact O-N 3.49Å; S16-E217 PolarHBondContact OG-OE2 3.26Å
17	I	73.3	Confident	61.1	Low	0 Å²	0	86 Å²	86	0%	0	47%	0.468	C	S	.	.	H	α-helix	trans	-54.7	-22.3	173.1	-165	170.2	0	0	0	111.6	D19 T20 I21 V31 L117 L210 V214	I17-D19 VanDerWaalsContact C-N 3.34Å; I17-T20 PolarHBondContact O-OG1 3.28Å; I17-I21 HydrophobicContact CG1-CD1 4.44Å; I17-I21 WeakPolarHBondContact O-CD1 3.44Å; I17-I21 WeakPolarHBondContact O-CG1 3.41Å; I17-V31 HydrophobicContact CD1-CG1 3.78Å; I17-V31 HydrophobicContact CD1-CG2 4Å; I17-L117 HydrophobicContact CD1-CD2 4.38Å; I17-L117 HydrophobicContact CG2-CD2 4.11Å; I17-L210 HydrophobicContact CD1-CD2 4.32Å; I17-V214 HydrophobicContact CG2-CG2 3.42Å; I17-V214 VanDerWaalsContact CG2-CG2 3.42Å
18	L	79.9	Confident	64	Low	3 Å²	3	78.5 Å²	78.5	2%	0.016	45%	0.449	C	S	.	.	H	α-helix	trans	-72.3	-23.3	175.1	-65.3	-176.9	0	0	0	114	S16 I21 R110 K113 I114 L117 V214	S16-L18 PolarHBondContact O-N 3.06Å; S16-L18 PolarHBondContact OG-N 3.47Å; L18-I21 HydrophobicContact CD2-CD1 4.23Å; L18-I21 PolarHBondContact O-N 3.37Å; L18-R110 HydrophobicContact CD1-CB 4.2Å; L18-R110 HydrophobicContact CD1-CG 4.4Å; L18-K113 HydrophobicContact CB-CD 4.37Å; L18-K113 HydrophobicContact CD2-CB 4.07Å; L18-I114 HydrophobicContact CD1-CG1 4.21Å; L18-I114 HydrophobicContact CD2-CG1 4.32Å; L18-L117 HydrophobicContact CD2-CD2 4.4Å; L18-V214 HydrophobicContact CD1-CG1 3.61Å; L18-V214 HydrophobicContact CD2-CG1 4.11Å; L18-V214 HydrophobicContact CD2-CG2 3.95Å; L18-V214 HydrophobicContact CG-CG1 3.96Å; L18-V214 HydrophobicContact CG-CG2 4.09Å
19	D	76.6	Confident	66.9	Low	85 Å²	85	69.6 Å²	69.6	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-73.8	-39.2	-179.7	-66	-33.2	0	0	0	111	Q15 S16 I17 I21 S22	Q15-D19 HydrophobicContact CG-CB 4.23Å; S16-D19 PolarHBondContact N-OD2 3.27Å; S16-D19 WeakPolarHBondContact O-CB 3.18Å; S16-D19 PolarHBondContact O-N 3.49Å; I17-D19 VanDerWaalsContact C-N 3.34Å; D19-I21 PolarHBondContact O-N 3.13Å; D19-S22 PolarHBondContact O-OG 3.02Å
20	T	69	Low	69.9	Low	67 Å²	67	66 Å²	66	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-19.4	173.6	35.3	0	0	0	0	113.4	I17	I17-T20 PolarHBondContact O-OG1 3.28Å
21	I	76.1	Confident	72.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-85.7	-18.8	-176.1	-69.5	168.7	0	0	0	113.9	I17 L18 D19 G23 A24 L29 K116 L117	I17-I21 HydrophobicContact CG1-CD1 4.44Å; I17-I21 WeakPolarHBondContact O-CD1 3.44Å; I17-I21 WeakPolarHBondContact O-CG1 3.41Å; L18-I21 HydrophobicContact CD2-CD1 4.23Å; L18-I21 PolarHBondContact O-N 3.37Å; D19-I21 PolarHBondContact O-N 3.13Å; I21-G23 PolarHBondContact O-N 2.73Å; I21-A24 WeakPolarHBondContact O-CB 3.41Å; I21-A24 PolarHBondContact O-N 2.86Å; I21-L29 HydrophobicContact CG1-CD1 4.13Å; I21-K116 HydrophobicContact CG2-CB 4.14Å; I21-K116 HydrophobicContact CG2-CD 3.88Å; I21-K116 HydrophobicContact CG2-CG 4.05Å; I21-K116 PolarHBondContact O-NZ 3.32Å; I21-K116 VanDerWaalsContact O-NZ 3.12Å; I21-L117 HydrophobicContact CD1-CB 3.6Å; I21-L117 HydrophobicContact CD1-CD1 3.53Å; I21-L117 HydrophobicContact CD1-CD2 3.66Å; I21-L117 HydrophobicContact CD1-CG 3.74Å
22	S	67.8	Low	75.4	Confident	67 Å²	67	59.9 Å²	59.9	47%	0.469	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.1	-176.1	-50.3	0	0	0	0	112	D19 K113	D19-S22 PolarHBondContact O-OG 3.02Å; S22-K113 WeakPolarHBondContact OG-CE 3.4Å; S22-K113 PolarHBondContact OG-NZ 3.41Å
23	G	74	Confident	78	Confident	71 Å²	71	52.6 Å²	52.6	73%	0.732	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	0.7	174.5	0	0	0	0	0	116.4	I21	I21-G23 PolarHBondContact O-N 2.73Å
24	A	83.9	Confident	80.6	Confident	8 Å²	8	47.6 Å²	47.6	7%	0.066	31%	0.308	C	S	.	.			trans	-68.2	155.4	-175.4	0	0	0	0	0	112.2	I21 L29 K116 I120	I21-A24 WeakPolarHBondContact O-CB 3.41Å; I21-A24 PolarHBondContact O-N 2.86Å; A24-L29 HydrophobicContact CB-CB 4.49Å; A24-L29 HydrophobicContact CB-CD1 4.47Å; A24-K116 WeakPolarHBondContact O-CE 3.12Å; A24-K116 PolarHBondContact O-NZ 3.22Å; A24-I120 HydrophobicContact CB-CD1 4.1Å
25	S	92.6	Very high	83	Confident	56 Å²	56	43.9 Å²	43.9	39%	0.392	28%	0.275	S	S	.	.			trans	-147.9	169.5	171.9	59	0	0	0	0	107.7	G27 T28	S25-G27 PolarHBondContact O-N 3.01Å; S25-G27 VanDerWaalsContact O-N 3.13Å; S25-T28 PolarHBondContact N-OG1 3.37Å; S25-T28 PolarHBondContact O-N 3.42Å; S25-T28 PolarHBondContact O-OG1 3.02Å; S25-T28 WeakPolarHBondContact OG-CG2 3.5Å; S25-T28 PolarHBondContact OG-OG1 3.33Å
26	T	96.9	Very high	85.2	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.043	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	121.5	-179.7	-60.7	0	0	0	0	109.8	E56 A58 T59 D342 L344 L390	T26-E56 WeakPolarHBondContact CA-OE1 3.4Å; T26-A58 HydrophobicContact CG2-CB 3.92Å; T26-T59 HydrophobicContact CG2-CG2 3.64Å; T26-D342 WeakPolarHBondContact CB-OD1 3.25Å; T26-D342 VanDerWaalsContact OG1-CG 3.32Å; T26-D342 PolarHBondContact OG1-OD1 3.31Å; T26-D342 PolarHBondContact OG1-OD2 2.75Å; T26-L344 WeakPolarHBondContact OG1-CD1 3.39Å; T26-L390 HydrophobicContact CG2-CD2 3.88Å
27	G	95.4	Very high	86.6	Confident	10 Å²	10	36.9 Å²	36.9	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	15.8	-175.8	0	0	0	0	0	115.8	S25 E56 R61	S25-G27 PolarHBondContact O-N 3.01Å; S25-G27 VanDerWaalsContact O-N 3.13Å; G27-E56 WeakPolarHBondContact CA-OE2 3.24Å; G27-E56 VanDerWaalsContact N-CD 3.34Å; G27-E56 PolarHBondContact N-OE1 3.39Å; G27-E56 PolarHBondContact N-OE2 2.93Å; G27-E56 VanDerWaalsContact N-OE2 3.08Å; G27-R61 PolarHBondContact O-NH1 2.76Å
28	T	94.3	Very high	87.7	Confident	73 Å²	73	37.5 Å²	37.5	45%	0.448	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-20.6	177.6	69.6	0	0	0	0	115	S25	S25-T28 PolarHBondContact N-OG1 3.37Å; S25-T28 PolarHBondContact O-N 3.42Å; S25-T28 PolarHBondContact O-OG1 3.02Å; S25-T28 WeakPolarHBondContact OG-CG2 3.5Å; S25-T28 PolarHBondContact OG-OG1 3.33Å
29	L	94.1	Very high	88.5	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.047	26%	0.26	C	S	.	.			trans	-72	135.4	-178.2	-173.4	65.3	0	0	0	111.9	I21 A24 V31 L63 L117 I120	I21-L29 HydrophobicContact CG1-CD1 4.13Å; A24-L29 HydrophobicContact CB-CB 4.49Å; A24-L29 HydrophobicContact CB-CD1 4.47Å; L29-V31 HydrophobicContact CD2-CG2 4.17Å; L29-V31 HydrophobicContact CG-CG2 4.16Å; L29-L63 HydrophobicContact CB-CD2 4.13Å; L29-L63 HydrophobicContact CD2-CD2 4.38Å; L29-L63 HydrophobicContact CG-CD2 4.38Å; L29-L63 WeakPolarHBondContact O-CD2 3.09Å; L29-L117 HydrophobicContact CD2-CD1 3.88Å; L29-I120 HydrophobicContact CB-CD1 4.36Å; L29-I120 HydrophobicContact CB-CG2 4.11Å; L29-I120 HydrophobicContact CD2-CB 4.4Å; L29-I120 HydrophobicContact CD2-CD1 4.18Å; L29-I120 HydrophobicContact CD2-CG2 3.75Å
30	V	92	Very high	89.4	Confident	87 Å²	87	36.2 Å²	36.2	53%	0.527	25%	0.246	S	C	.	.			trans	-133.9	131.3	165.9	179.4	0	0	0	0	106.9	T32	V30-T32 HydrophobicContact CG1-CG2 4.33Å
31	V	91.6	Very high	90.8	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	25%	0.254	C	S	.	.			trans	-106.5	130.9	-179.7	179.9	0	0	0	0	108.8	I17 L29 E33 L35 L63 C64 L210	I17-V31 HydrophobicContact CD1-CG1 3.78Å; I17-V31 HydrophobicContact CD1-CG2 4Å; L29-V31 HydrophobicContact CD2-CG2 4.17Å; L29-V31 HydrophobicContact CG-CG2 4.16Å; V31-E33 WeakPolarHBondContact CG1-OE2 3.43Å; V31-L35 HydrophobicContact CG1-CD2 4.01Å; V31-L63 PolarHBondContact N-O 2.91Å; V31-C64 HydrophobicContact CB-CB 3.9Å; V31-C64 HydrophobicContact CG1-CB 4.46Å; V31-C64 VanDerWaalsContact O-CB 3.28Å; V31-C64 WeakPolarHBondContact O-CB 3.3Å; V31-L210 HydrophobicContact CB-CD2 4.47Å; V31-L210 HydrophobicContact CG1-CD2 4.08Å; V31-L210 HydrophobicContact CG2-CD1 3.95Å; V31-L210 HydrophobicContact CG2-CD2 4.24Å
32	T	89	Confident	91.7	Very high	120 Å²	120	41.6 Å²	41.6	74%	0.736	26%	0.262	S	S	*	.			trans	-125.3	-11.9	-176.2	59.5	0	0	0	0	112.9	V30	V30-T32 HydrophobicContact CG1-CG2 4.33Å
33	E	87.9	Confident	93	Very high	39 Å²	39	39.6 Å²	39.6	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	-72.4	148.6	-178.5	-59.3	87.5	155.2	0	0	110.4	V31 L35	V31-E33 WeakPolarHBondContact CG1-OE2 3.43Å; E33-L35 PolarHBondContact O-N 3.39Å
34	P	92.6	Very high	93.8	Very high	36 Å²	36	44.1 Å²	44.1	23%	0.234	25%	0.247	C	C	.	.			trans	-59.8	140.1	175.9	-19.5	30.8	0	0	0	111.4	R42 V43 K44	P34-R42 HydrophobicContact CB-CB 4.27Å; P34-R42 WeakPolarHBondContact O-CD 3.46Å; P34-R42 PolarHBondContact O-NH1 2.77Å; P34-V43 WeakPolarHBondContact CB-O 3.44Å; P34-K44 HydrophobicContact CB-CG 3.91Å; P34-K44 HydrophobicContact CG-CD 4.44Å; P34-K44 HydrophobicContact CG-CG 3.61Å
35	L	95.6	Very high	93.9	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.063	25%	0.248	C	C	.	.			trans	-97.6	2.3	-172.5	-59	-174.9	0	0	0	114.4	V31 E33 L66 P209 L210 L213 Q233	V31-L35 HydrophobicContact CG1-CD2 4.01Å; E33-L35 PolarHBondContact O-N 3.39Å; L35-L66 HydrophobicContact CD1-CB 4.19Å; L35-P209 HydrophobicContact CD1-CG 4.21Å; L35-L210 HydrophobicContact CD2-CD2 3.71Å; L35-L213 HydrophobicContact CB-CD1 4.08Å; L35-L213 HydrophobicContact CD2-CD1 3.8Å; L35-L213 WeakPolarHBondContact O-CD1 2.99Å; L35-L213 WeakPolarHBondContact O-CD2 3.41Å; L35-Q233 HydrophobicContact CB-CG 3.92Å; L35-Q233 WeakPolarHBondContact O-CG 3.4Å; L35-Q233 PolarHBondContact O-NE2 2.75Å
36	N	97.1	Very high	93.2	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	155.9	174.5	-57.4	-66.7	0	0	0	111.2	W38 R42 V43 C69 Q233	N36-W38 HydrophobicContact CB-CE3 4.02Å; N36-W38 HydrophobicContact CB-CH2 4.17Å; N36-W38 HydrophobicContact CB-CZ3 3.39Å; N36-R42 CarbonylContact O-C 3.5Å; N36-R42 WeakPolarHBondContact O-CA 3.46Å; N36-V43 WeakPolarHBondContact CB-O 3.41Å; N36-V43 PolarHBondContact O-N 3.18Å; N36-C69 VanDerWaalsContact CG-SG 3.57Å; N36-C69 PolarHBondContact OD1-SG 3.41Å; N36-Q233 VanDerWaalsContact OD1-CB 3.24Å; N36-Q233 WeakPolarHBondContact OD1-CB 3.24Å; N36-Q233 WeakPolarHBondContact OD1-CG 3.19Å; N36-Q233 PolarHBondContact OD1-N 2.84Å
37	F	98.2	Very high	92.4	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	121	-179.1	-169.1	-80.9	0	0	0	111.8	G40 K41 R42 L213 A216 E217 K220 C230 V231	F37-G40 VanDerWaalsContact CZ-C 3.4Å; F37-K41 WeakPolarHBondContact CA-O 3.44Å; F37-K41 VanDerWaalsContact CD2-C 3.44Å; F37-K41 WeakPolarHBondContact CD2-O 3.17Å; F37-R42 HydrophobicContact CD2-CG 4.11Å; F37-L213 HydrophobicContact CB-CD2 3.94Å; F37-A216 HydrophobicContact CB-CB 4.22Å; F37-A216 HydrophobicContact CD1-CB 3.55Å; F37-A216 HydrophobicContact CD2-CB 4.07Å; F37-A216 HydrophobicContact CE1-CB 3.79Å; F37-A216 HydrophobicContact CE2-CB 4.29Å; F37-A216 HydrophobicContact CG-CB 3.69Å; F37-A216 HydrophobicContact CZ-CB 4.16Å; F37-E217 HydrophobicContact CE2-CG 4.36Å; F37-K220 HydrophobicContact CZ-CB 4.32Å; F37-C230 CarbonylContact O-C 3.48Å; F37-C230 VanDerWaalsContact O-CA 3.26Å; F37-C230 WeakPolarHBondContact O-CA 3.49Å; F37-C230 WeakPolarHBondContact O-CB 3.17Å; F37-V231 HydrophobicContact CB-CB 4.1Å; F37-V231 HydrophobicContact CB-CG2 4.47Å; F37-V231 PolarHBondContact N-O 2.99Å; F37-V231 PolarHBondContact O-N 3.3Å
38	W	98.3	Very high	91.5	Very high	14 Å²	14	60.3 Å²	60.3	5%	0.053	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	165.8	167.8	58.2	92.4	0	0	0	109.8	N36 G40 K41 V43 E73 E76 A77 C230	N36-W38 HydrophobicContact CB-CE3 4.02Å; N36-W38 HydrophobicContact CB-CH2 4.17Å; N36-W38 HydrophobicContact CB-CZ3 3.39Å; W38-G40 PolarHBondContact O-N 2.74Å; W38-G40 VanDerWaalsContact O-N 3.1Å; W38-K41 PolarHBondContact N-O 3Å; W38-K41 VanDerWaalsContact N-O 3.13Å; W38-K41 PolarHBondContact O-N 3.4Å; W38-K41 VanDerWaalsContact O-O 3.05Å; W38-V43 HydrophobicContact CD2-CB 4.07Å; W38-V43 HydrophobicContact CD2-CG1 4.47Å; W38-V43 HydrophobicContact CD2-CG2 3.75Å; W38-V43 HydrophobicContact CE3-CB 4.19Å; W38-V43 HydrophobicContact CE3-CG2 4.25Å; W38-V43 HydrophobicContact CG-CG2 4.14Å; W38-V43 HydrophobicContact CH2-CB 3.73Å; W38-V43 HydrophobicContact CH2-CG1 3.6Å; W38-V43 HydrophobicContact CH2-CG2 4.46Å; W38-V43 HydrophobicContact CZ2-CB 3.61Å; W38-V43 HydrophobicContact CZ2-CG1 3.18Å; W38-V43 HydrophobicContact CZ2-CG2 4.01Å; W38-V43 HydrophobicContact CZ3-CB 4.06Å; W38-V43 HydrophobicContact CZ3-CG1 4.43Å; W38-E73 HydrophobicContact CH2-CB 3.87Å; W38-E73 HydrophobicContact CH2-CG 3.72Å; W38-E73 HydrophobicContact CZ2-CB 4.46Å; W38-E73 HydrophobicContact CZ2-CG 4.28Å; W38-E73 HydrophobicContact CZ3-CB 4.39Å; W38-E76 PolarHBondContact NE1-OE2 2.97Å; W38-A77 HydrophobicContact CB-CB 4.25Å; W38-A77 HydrophobicContact CD2-CB 4.44Å; W38-A77 HydrophobicContact CE3-CB 4.37Å; W38-A77 HydrophobicContact CG-CB 4.41Å; W38-C230 HydrophobicContact CB-CB 4.11Å
39	A	96.7	Very high	90.8	Very high	46 Å²	46	62.5 Å²	62.5	38%	0.38	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	33.4	-175.6	0	0	0	0	0	114	K41 S80	A39-K41 PolarHBondContact O-N 2.71Å; A39-S80 WeakPolarHBondContact CA-OG 3.49Å; A39-S80 PolarHBondContact N-OG 3.33Å; A39-S80 VanDerWaalsContact N-OG 3.1Å
40	G	95.4	Very high	90.3	Very high	15 Å²	15	68.2 Å²	68.2	16%	0.155	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.2	175	0	0	0	0	0	115.6	F37 W38 D226	F37-G40 VanDerWaalsContact CZ-C 3.4Å; W38-G40 PolarHBondContact O-N 2.74Å; W38-G40 VanDerWaalsContact O-N 3.1Å; G40-D226 WeakPolarHBondContact CA-OD1 3.49Å
41	K	96.4	Very high	90.3	Very high	136 Å²	136	66.3 Å²	66.3	59%	0.591	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	161	-179.2	64.1	-178.2	-179.3	-179.3	0	112.6	F37 W38 A39 V43	F37-K41 WeakPolarHBondContact CA-O 3.44Å; F37-K41 VanDerWaalsContact CD2-C 3.44Å; F37-K41 WeakPolarHBondContact CD2-O 3.17Å; W38-K41 PolarHBondContact N-O 3Å; W38-K41 VanDerWaalsContact N-O 3.13Å; W38-K41 PolarHBondContact O-N 3.4Å; W38-K41 VanDerWaalsContact O-O 3.05Å; A39-K41 PolarHBondContact O-N 2.71Å; K41-V43 HydrophobicContact CG-CG2 4.24Å
42	R	95.4	Very high	90.4	Very high	44 Å²	44	70 Å²	70	17%	0.166	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.6	167.6	-70.8	179.5	177.4	-111.6	4.4	110.7	P34 N36 F37 E217	P34-R42 HydrophobicContact CB-CB 4.27Å; P34-R42 WeakPolarHBondContact O-CD 3.46Å; P34-R42 PolarHBondContact O-NH1 2.77Å; N36-R42 CarbonylContact O-C 3.5Å; N36-R42 WeakPolarHBondContact O-CA 3.46Å; F37-R42 HydrophobicContact CD2-CG 4.11Å; R42-E217 IonicContact CZ-OE1 2.75Å; R42-E217 IonicContact NE-OE1 2.67Å; R42-E217 PolarHBondContact NE-OE1 2.88Å; R42-E217 IonicContact NH2-OE1 3.42Å; R42-E217 PolarHBondContact NH2-OE1 3.2Å; R42-E217 IonicContact NH2-OE2 2.7Å
43	V	95.6	Very high	90.8	Very high	24 Å²	24	67.1 Å²	67.1	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.8	-176.2	-169.5	0	0	0	0	111	P34 N36 W38 K41	P34-V43 WeakPolarHBondContact CB-O 3.44Å; N36-V43 WeakPolarHBondContact CB-O 3.41Å; N36-V43 PolarHBondContact O-N 3.18Å; W38-V43 HydrophobicContact CD2-CB 4.07Å; W38-V43 HydrophobicContact CD2-CG1 4.47Å; W38-V43 HydrophobicContact CD2-CG2 3.75Å; W38-V43 HydrophobicContact CE3-CB 4.19Å; W38-V43 HydrophobicContact CE3-CG2 4.25Å; W38-V43 HydrophobicContact CG-CG2 4.14Å; W38-V43 HydrophobicContact CH2-CB 3.73Å; W38-V43 HydrophobicContact CH2-CG1 3.6Å; W38-V43 HydrophobicContact CH2-CG2 4.46Å; W38-V43 HydrophobicContact CZ2-CB 3.61Å; W38-V43 HydrophobicContact CZ2-CG1 3.18Å; W38-V43 HydrophobicContact CZ2-CG2 4.01Å; W38-V43 HydrophobicContact CZ3-CB 4.06Å; W38-V43 HydrophobicContact CZ3-CG1 4.43Å; K41-V43 HydrophobicContact CG-CG2 4.24Å
44	K	90.8	Very high	91.3	Very high	166 Å²	166	65.3 Å²	65.3	72%	0.722	33%	0.329	S	S	*	.			trans	-86.5	142.4	169.2	-67	-175.3	177.4	-174	0	108.8	P34	P34-K44 HydrophobicContact CB-CG 3.91Å; P34-K44 HydrophobicContact CG-CD 4.44Å; P34-K44 HydrophobicContact CG-CG 3.61Å
45	T	85.2	Confident	91.6	Very high	15 Å²	15	67 Å²	67	9%	0.092	33%	0.333	C	S	.	.			trans	-64	156.8	170.3	48.6	0	0	0	0	110	E47 V67 E73	T45-E47 VanDerWaalsContact C-N 3.32Å; T45-E47 PolarHBondContact OG1-O 2.74Å; T45-E47 VanDerWaalsContact OG1-O 3.07Å; T45-V67 HydrophobicContact CG2-CB 4.2Å; T45-V67 HydrophobicContact CG2-CG1 3.98Å; T45-V67 WeakPolarHBondContact OG1-CG1 3.21Å; T45-E73 HydrophobicContact CG2-CG 4.4Å
46	R	79.7	Confident	91.7	Very high	158 Å²	158	66.6 Å²	66.6	60%	0.596	33%	0.331	S	S	*	.	S	Bend	trans	-71	-32	179.1	-67	176.7	178.4	-164.7	-1.8	112.3	E72 E73 E76	R46-E72 VanDerWaalsContact CD-OE2 3.26Å; R46-E72 WeakPolarHBondContact CD-OE2 3.38Å; R46-E72 IonicContact CZ-OE2 3.62Å; R46-E72 IonicContact NE-OE2 2.8Å; R46-E72 IonicContact NH1-OE1 3.76Å; R46-E72 IonicContact NH1-OE2 3.98Å; R46-E72 PolarHBondContact NH1-OE2 2.98Å; R46-E73 PolarHBondContact N-OE1 2.8Å; R46-E73 VanDerWaalsContact N-OE1 3.1Å; R46-E76 IonicContact CZ-OE1 3.52Å; R46-E76 IonicContact NE-OE1 2.68Å; R46-E76 IonicContact NH2-OE1 3.41Å; R46-E76 PolarHBondContact NH2-OE1 3.04Å
47	E	79.3	Confident	91.8	Very high	112 Å²	112	66.3 Å²	66.3	52%	0.523	33%	0.329	S	S	.	.	S	Bend	trans	-123.1	137.7	177.4	-58.1	-170.8	138.6	0	0	110.3	T45 K49 V67	T45-E47 VanDerWaalsContact C-N 3.32Å; T45-E47 PolarHBondContact OG1-O 2.74Å; T45-E47 VanDerWaalsContact OG1-O 3.07Å; E47-K49 HydrophobicContact CB-CD 4.43Å; E47-K49 HydrophobicContact CB-CG 4.18Å; E47-K49 PolarHBondContact O-N 3.18Å; E47-K49 IonicContact OE1-NZ 3.74Å; E47-K49 PolarHBondContact OE1-NZ 3.31Å; E47-K49 VanDerWaalsContact OE2-CD 3.24Å; E47-K49 WeakPolarHBondContact OE2-CD 3.21Å; E47-K49 WeakPolarHBondContact OE2-CE 3.47Å; E47-K49 IonicContact OE2-NZ 3.16Å; E47-K49 PolarHBondContact OE2-NZ 3.06Å; E47-V67 WeakPolarHBondContact O-CG1 3.49Å
48	D	77.1	Confident	91.8	Very high	137 Å²	137	65.9 Å²	65.9	73%	0.733	33%	0.328	S	S	*	.			trans	-88.9	55.4	170.8	-72	-28.5	0	0	0	110.2
49	K	78.5	Confident	91.8	Very high	119 Å²	119	65.8 Å²	65.8	52%	0.517	33%	0.329	S	S	.	.			trans	-99.2	146.8	176.9	-70.8	-177.3	-167.6	154	0	110.9	E47 A51	E47-K49 HydrophobicContact CB-CD 4.43Å; E47-K49 HydrophobicContact CB-CG 4.18Å; E47-K49 PolarHBondContact O-N 3.18Å; E47-K49 IonicContact OE1-NZ 3.74Å; E47-K49 PolarHBondContact OE1-NZ 3.31Å; E47-K49 VanDerWaalsContact OE2-CD 3.24Å; E47-K49 WeakPolarHBondContact OE2-CD 3.21Å; E47-K49 WeakPolarHBondContact OE2-CE 3.47Å; E47-K49 IonicContact OE2-NZ 3.16Å; E47-K49 PolarHBondContact OE2-NZ 3.06Å; K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.05Å
50	N	84.7	Confident	91.9	Very high	128 Å²	128	64.6 Å²	64.6	68%	0.684	32%	0.321	S	S	*	.	S	Bend	trans	55.6	38.8	174.8	-53.5	-33.8	0	0	0	113.7	E52 P68	N50-E52 PolarHBondContact O-N 3.32Å; N50-P68 HydrophobicContact CB-CG 4.27Å; N50-P68 VanDerWaalsContact O-CD 3.29Å; N50-P68 WeakPolarHBondContact O-CD 3.25Å
51	A	91.8	Very high	92	Very high	47 Å²	47	69.6 Å²	69.6	39%	0.388	34%	0.335	S	S	.	.			trans	-62.4	132.7	175.3	0	0	0	0	0	110.8	K49 Q65 L66 V67	K49-A51 VanDerWaalsContact C-N 3.27Å; K49-A51 PolarHBondContact O-N 3.05Å; A51-Q65 HydrophobicContact CB-CB 4.28Å; A51-L66 CarbonylContact C-O 3.6Å; A51-L66 WeakPolarHBondContact CA-O 3.06Å; A51-V67 HydrophobicContact CB-CG2 4.18Å
52	E	93.9	Very high	92.1	Very high	86 Å²	86	66.1 Å²	66.1	40%	0.402	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.1	-178.4	-65.9	-179.8	179.8	0	0	110.7	N50 V54 Q65 L66	N50-E52 PolarHBondContact O-N 3.32Å; E52-V54 PolarHBondContact O-N 3.4Å; E52-Q65 PolarHBondContact O-OE1 3.45Å; E52-L66 PolarHBondContact N-O 3.05Å; E52-L66 PolarHBondContact O-N 3.43Å
53	P	97.1	Very high	92.2	Very high	60 Å²	60	64.1 Å²	64.1	39%	0.39	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.4	178.4	28.2	-33.7	0	0	0	111.4	F55 V62	P53-F55 HydrophobicContact CB-CE1 4.24Å; P53-F55 HydrophobicContact CB-CE2 3.86Å; P53-F55 HydrophobicContact CB-CZ 3.65Å; P53-F55 HydrophobicContact CG-CE2 3.66Å; P53-F55 HydrophobicContact CG-CZ 3.54Å; P53-F55 WeakPolarHBondContact O-CE2 3.29Å; P53-V62 HydrophobicContact CB-CG1 4.15Å; P53-V62 HydrophobicContact CB-CG2 4.04Å
54	V	98.2	Very high	92.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128	169.3	-176.9	0	0	0	0	108	E52 V62 L63 C64 L66 P209	E52-V54 PolarHBondContact O-N 3.4Å; V54-V62 CarbonylContact O-C 3.46Å; V54-V62 WeakPolarHBondContact O-CA 3.27Å; V54-L63 PolarHBondContact O-N 2.96Å; V54-C64 PolarHBondContact N-O 3.44Å; V54-L66 HydrophobicContact CG2-CB 3.75Å; V54-L66 HydrophobicContact CG2-CD1 4.47Å; V54-P209 HydrophobicContact CG1-CG 4.02Å; V54-P209 HydrophobicContact CG2-CG 3.82Å
55	F	98.6	Very high	92.4	Very high	72 Å²	72	60.5 Å²	60.5	32%	0.316	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.5	-173.2	-61.8	-84.3	0	0	0	112.8	P53 P57 R61 V62 Y394	P53-F55 HydrophobicContact CB-CE1 4.24Å; P53-F55 HydrophobicContact CB-CE2 3.86Å; P53-F55 HydrophobicContact CB-CZ 3.65Å; P53-F55 HydrophobicContact CG-CE2 3.66Å; P53-F55 HydrophobicContact CG-CZ 3.54Å; P53-F55 WeakPolarHBondContact O-CE2 3.29Å; F55-P57 WeakPolarHBondContact O-CD 3.44Å; F55-R61 CarbonylContact C-O 3.48Å; F55-R61 VanDerWaalsContact CA-O 3.25Å; F55-R61 WeakPolarHBondContact CA-O 3.29Å; F55-V62 HydrophobicContact CD1-CG2 4.01Å; F55-V62 HydrophobicContact CE1-CG2 3.68Å; F55-V62 HydrophobicContact CZ-CG2 4.47Å; F55-Y394 HydrophobicContact CB-CE2 4.24Å; F55-Y394 WeakPolarHBondContact CD1-OH 3.44Å; F55-Y394 WeakPolarHBondContact CG-OH 3.18Å
56	E	98.7	Very high	92.9	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.5	158.8	177.5	179.3	-143.8	0	0	108.2	T26 G27 A58 T59 G60 R61 L63 I120	T26-E56 WeakPolarHBondContact CA-OE1 3.4Å; G27-E56 WeakPolarHBondContact CA-OE2 3.24Å; G27-E56 VanDerWaalsContact N-CD 3.34Å; G27-E56 PolarHBondContact N-OE1 3.39Å; G27-E56 PolarHBondContact N-OE2 2.93Å; G27-E56 VanDerWaalsContact N-OE2 3.08Å; E56-A58 VanDerWaalsContact C-N 3.27Å; E56-A58 PolarHBondContact O-N 3.01Å; E56-T59 HydrophobicContact CG-CG2 4.35Å; E56-T59 PolarHBondContact O-N 3.43Å; E56-T59 WeakPolarHBondContact OE2-CB 3.31Å; E56-T59 WeakPolarHBondContact OE2-CG2 3.36Å; E56-T59 PolarHBondContact OE2-OG1 3.41Å; E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 2.85Å; E56-R61 PolarHBondContact N-O 3.15Å; E56-L63 HydrophobicContact CB-CD1 4.19Å; E56-L63 HydrophobicContact CB-CD2 3.92Å; E56-L63 HydrophobicContact CB-CG 3.92Å; E56-I120 HydrophobicContact CG-CG2 4.29Å
57	P	98.8	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.3	-171.7	-28.8	39.2	0	0	0	114.6	F55 T59 I120 N121 A352 L353 I354 G393 Y394	F55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.07Å; P57-I120 WeakPolarHBondContact CD-O 3.37Å; P57-N121 WeakPolarHBondContact CD-O 3.24Å; P57-A352 VanDerWaalsContact C-CB 3.49Å; P57-A352 HydrophobicContact CB-CB 3.92Å; P57-A352 WeakPolarHBondContact O-CB 3.45Å; P57-L353 WeakPolarHBondContact CB-O 3.45Å; P57-I354 HydrophobicContact CG-CD1 4.14Å; P57-G393 CarbonylContact O-C 3.24Å; P57-G393 WeakPolarHBondContact O-CA 3.39Å; P57-Y394 HydrophobicContact CB-CD2 4.06Å; P57-Y394 PolarHBondContact O-N 2.71Å
58	A	98.6	Very high	94.4	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.8	-177.2	0	0	0	0	0	113.7	T26 E56 P343 L390 G393 F395	T26-A58 HydrophobicContact CG2-CB 3.92Å; E56-A58 VanDerWaalsContact C-N 3.27Å; E56-A58 PolarHBondContact O-N 3.01Å; A58-P343 HydrophobicContact CB-CG 4.05Å; A58-L390 HydrophobicContact CB-CD2 4.23Å; A58-L390 WeakPolarHBondContact O-CA 3.44Å; A58-L390 WeakPolarHBondContact O-CD2 3.3Å; A58-G393 WeakPolarHBondContact O-CA 3.38Å; A58-F395 HydrophobicContact CB-CZ 4.19Å; A58-F395 VanDerWaalsContact O-CE2 3.31Å; A58-F395 WeakPolarHBondContact O-CE2 3.3Å
59	T	98.6	Very high	95.4	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-19.3	-176.3	68	0	0	0	0	113.1	T26 E56 P57 R61 G392	T26-T59 HydrophobicContact CG2-CG2 3.64Å; E56-T59 HydrophobicContact CG-CG2 4.35Å; E56-T59 PolarHBondContact O-N 3.43Å; E56-T59 WeakPolarHBondContact OE2-CB 3.31Å; E56-T59 WeakPolarHBondContact OE2-CG2 3.36Å; E56-T59 PolarHBondContact OE2-OG1 3.41Å; P57-T59 VanDerWaalsContact C-N 3.28Å; P57-T59 PolarHBondContact O-N 3.07Å; T59-R61 PolarHBondContact O-N 3.49Å; T59-R61 WeakPolarHBondContact OG1-CB 3.34Å; T59-R61 WeakPolarHBondContact OG1-CG 3.47Å; T59-R61 PolarHBondContact OG1-N 3.43Å; T59-G392 CarbonylContact O-C 3.54Å; T59-G392 VanDerWaalsContact O-C 3.24Å; T59-G392 VanDerWaalsContact O-CA 3.31Å; T59-G392 WeakPolarHBondContact O-CA 3.4Å
60	G	97.9	Very high	96.2	Very high	22 Å²	22	38.6 Å²	38.6	23%	0.227	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.2	-172.8	0	0	0	0	0	114	E56 G392	E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 2.85Å; G60-G392 WeakPolarHBondContact CA-O 3.22Å
61	R	97.9	Very high	96.8	Very high	120 Å²	120	35.5 Å²	35.5	45%	0.453	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	152.4	179.3	-69	176.4	56.2	166.7	-13.4	111.6	G27 F55 E56 T59	G27-R61 PolarHBondContact O-NH1 2.76Å; F55-R61 CarbonylContact C-O 3.48Å; F55-R61 VanDerWaalsContact CA-O 3.25Å; F55-R61 WeakPolarHBondContact CA-O 3.29Å; E56-R61 PolarHBondContact N-O 3.15Å; T59-R61 PolarHBondContact O-N 3.49Å; T59-R61 WeakPolarHBondContact OG1-CB 3.34Å; T59-R61 WeakPolarHBondContact OG1-CG 3.47Å; T59-R61 PolarHBondContact OG1-N 3.43Å
62	V	98.3	Very high	97	Very high	62 Å²	62	38.5 Å²	38.5	38%	0.376	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.7	170.8	-179.4	0	0	0	0	109.1	P53 V54 F55 C64	P53-V62 HydrophobicContact CB-CG1 4.15Å; P53-V62 HydrophobicContact CB-CG2 4.04Å; V54-V62 CarbonylContact O-C 3.46Å; V54-V62 WeakPolarHBondContact O-CA 3.27Å; F55-V62 HydrophobicContact CD1-CG2 4.01Å; F55-V62 HydrophobicContact CE1-CG2 3.68Å; F55-V62 HydrophobicContact CZ-CG2 4.47Å; V62-C64 VanDerWaalsContact CG1-O 3.29Å; V62-C64 WeakPolarHBondContact CG1-O 3.34Å
63	L	97.1	Very high	97.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-43.6	174.1	-70.6	173.2	0	0	0	111.4	L29 V31 V54 E56 I120 N121 L210	L29-L63 HydrophobicContact CB-CD2 4.13Å; L29-L63 HydrophobicContact CD2-CD2 4.38Å; L29-L63 HydrophobicContact CG-CD2 4.38Å; L29-L63 WeakPolarHBondContact O-CD2 3.09Å; V31-L63 PolarHBondContact N-O 2.91Å; V54-L63 PolarHBondContact O-N 2.96Å; E56-L63 HydrophobicContact CB-CD1 4.19Å; E56-L63 HydrophobicContact CB-CD2 3.92Å; E56-L63 HydrophobicContact CB-CG 3.92Å; L63-I120 HydrophobicContact CD1-CG2 4.15Å; L63-I120 HydrophobicContact CD2-CG2 3.79Å; L63-N121 HydrophobicContact CD1-CB 4.39Å; L63-L210 HydrophobicContact CD1-CD1 4.25Å
64	C	95.6	Very high	97.3	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.081	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	176.1	-179.6	55.1	0	0	0	0	111.3	V31 V54 V62	V31-C64 HydrophobicContact CB-CB 3.9Å; V31-C64 HydrophobicContact CG1-CB 4.46Å; V31-C64 VanDerWaalsContact O-CB 3.28Å; V31-C64 WeakPolarHBondContact O-CB 3.3Å; V54-C64 PolarHBondContact N-O 3.44Å; V62-C64 VanDerWaalsContact CG1-O 3.29Å; V62-C64 WeakPolarHBondContact CG1-O 3.34Å
65	Q	95.5	Very high	97.3	Very high	102 Å²	102	36.6 Å²	36.6	48%	0.477	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	169.3	-63.7	-62.4	-30.2	0	0	109.2	A51 E52	A51-Q65 HydrophobicContact CB-CB 4.28Å; E52-Q65 PolarHBondContact O-OE1 3.45Å
66	L	95.1	Very high	97.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.3	173.6	178.7	148.6	0	0	0	109.1	L35 A51 E52 V54 P206 P209 Q233	L35-L66 HydrophobicContact CD1-CB 4.19Å; A51-L66 CarbonylContact C-O 3.6Å; A51-L66 WeakPolarHBondContact CA-O 3.06Å; E52-L66 PolarHBondContact N-O 3.05Å; E52-L66 PolarHBondContact O-N 3.43Å; V54-L66 HydrophobicContact CG2-CB 3.75Å; V54-L66 HydrophobicContact CG2-CD1 4.47Å; L66-P206 HydrophobicContact CD1-CB 4.25Å; L66-P206 HydrophobicContact CD2-CB 4.43Å; L66-P209 HydrophobicContact CD1-CB 3.61Å; L66-P209 HydrophobicContact CD1-CG 3.84Å; L66-Q233 HydrophobicContact CD1-CB 3.89Å; L66-Q233 HydrophobicContact CD1-CG 4.19Å; L66-Q233 HydrophobicContact CD2-CB 4.09Å; L66-Q233 HydrophobicContact CG-CB 3.91Å; L66-Q233 HydrophobicContact CG-CG 4.45Å
67	V	95.3	Very high	97.3	Very high	22 Å²	22	36.2 Å²	36.2	13%	0.133	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-97.3	119.4	172.2	-169.8	0	0	0	0	108.8	T45 E47 A51	T45-V67 HydrophobicContact CG2-CB 4.2Å; T45-V67 HydrophobicContact CG2-CG1 3.98Å; T45-V67 WeakPolarHBondContact OG1-CG1 3.21Å; E47-V67 WeakPolarHBondContact O-CG1 3.49Å; A51-V67 HydrophobicContact CB-CG2 4.18Å
68	P	96	Very high	97.3	Very high	32 Å²	32	36.2 Å²	36.2	21%	0.208	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-71.6	145.3	-176.2	29.1	-34.7	0	0	0	112	N50	N50-P68 HydrophobicContact CB-CG 4.27Å; N50-P68 VanDerWaalsContact O-CD 3.29Å; N50-P68 WeakPolarHBondContact O-CD 3.25Å
69	C	97.3	Very high	97.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.02	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.3	131	172.1	-73.3	0	0	0	0	111.3	N36 E73 V74 V232 Q233 T238	N36-C69 VanDerWaalsContact CG-SG 3.57Å; N36-C69 PolarHBondContact OD1-SG 3.41Å; C69-E73 HydrophobicContact CB-CB 3.76Å; C69-V74 HydrophobicContact CB-CG2 4.38Å; C69-V232 HydrophobicContact CB-CB 4.28Å; C69-Q233 WeakPolarHBondContact CB-O 3.44Å; C69-Q233 PolarHBondContact N-O 3.2Å; C69-T238 HydrophobicContact CB-CG2 3.9Å; C69-T238 PolarHBondContact O-OG1 3.25Å
70	G	96.3	Very high	97.3	Very high	23 Å²	23	39.9 Å²	39.9	24%	0.237	22%	0.216	C	C	.	.			trans	-91.1	-165.2	170.9	0	0	0	0	0	112.6	E72 E73 V74	G70-E72 VanDerWaalsContact C-N 3.33Å; G70-E72 PolarHBondContact O-N 2.98Å; G70-E73 PolarHBondContact N-OE2 2.81Å; G70-E73 VanDerWaalsContact N-OE2 3.12Å; G70-V74 WeakPolarHBondContact O-CB 3.39Å; G70-V74 VanDerWaalsContact O-CG2 3.28Å; G70-V74 WeakPolarHBondContact O-CG2 3.35Å; G70-V74 PolarHBondContact O-N 3.39Å; G70-V74 VanDerWaalsContact O-N 3.08Å
71	A	96.8	Very high	97.3	Very high	63 Å²	63	38.9 Å²	38.9	52%	0.521	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-38.4	-177.7	0	0	0	0	0	113.1	V74 E75 L241	A71-V74 PolarHBondContact O-N 2.95Å; A71-E75 PolarHBondContact O-N 2.77Å; A71-L241 HydrophobicContact CB-CD1 4.35Å; A71-L241 HydrophobicContact CB-CD2 4.07Å
72	E	96.4	Very high	97.4	Very high	111 Å²	111	36.1 Å²	36.1	52%	0.519	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-48.8	-179.1	-61	-172.2	165.3	0	0	111.6	R46 G70 V74 E75 E76	R46-E72 VanDerWaalsContact CD-OE2 3.26Å; R46-E72 WeakPolarHBondContact CD-OE2 3.38Å; R46-E72 IonicContact CZ-OE2 3.62Å; R46-E72 IonicContact NE-OE2 2.8Å; R46-E72 IonicContact NH1-OE1 3.76Å; R46-E72 IonicContact NH1-OE2 3.98Å; R46-E72 PolarHBondContact NH1-OE2 2.98Å; G70-E72 VanDerWaalsContact C-N 3.33Å; G70-E72 PolarHBondContact O-N 2.98Å; E72-V74 VanDerWaalsContact C-N 3.3Å; E72-V74 PolarHBondContact O-N 3.5Å; E72-E75 PolarHBondContact O-N 2.89Å; E72-E76 WeakPolarHBondContact O-CG 3.38Å; E72-E76 PolarHBondContact O-N 3.29Å
73	E	97.9	Very high	97.4	Very high	17 Å²	17	36 Å²	36	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-36.4	177	-69.8	80.4	-169.8	0	0	112.2	W38 T45 R46 C69 G70 E76 A77	W38-E73 HydrophobicContact CH2-CB 3.87Å; W38-E73 HydrophobicContact CH2-CG 3.72Å; W38-E73 HydrophobicContact CZ2-CB 4.46Å; W38-E73 HydrophobicContact CZ2-CG 4.28Å; W38-E73 HydrophobicContact CZ3-CB 4.39Å; T45-E73 HydrophobicContact CG2-CG 4.4Å; R46-E73 PolarHBondContact N-OE1 2.8Å; R46-E73 VanDerWaalsContact N-OE1 3.1Å; C69-E73 HydrophobicContact CB-CB 3.76Å; G70-E73 PolarHBondContact N-OE2 2.81Å; G70-E73 VanDerWaalsContact N-OE2 3.12Å; E73-E76 PolarHBondContact O-N 3.34Å; E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 2.85Å
74	V	98.4	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-44.9	175.2	168.3	0	0	0	0	111.2	C69 G70 A71 E72 A77 I78 T238 L241 L242	C69-V74 HydrophobicContact CB-CG2 4.38Å; G70-V74 WeakPolarHBondContact O-CB 3.39Å; G70-V74 VanDerWaalsContact O-CG2 3.28Å; G70-V74 WeakPolarHBondContact O-CG2 3.35Å; G70-V74 PolarHBondContact O-N 3.39Å; G70-V74 VanDerWaalsContact O-N 3.08Å; A71-V74 PolarHBondContact O-N 2.95Å; E72-V74 VanDerWaalsContact C-N 3.3Å; E72-V74 PolarHBondContact O-N 3.5Å; V74-A77 PolarHBondContact O-N 3.41Å; V74-I78 HydrophobicContact CG1-CG1 4.31Å; V74-I78 WeakPolarHBondContact O-CB 3.47Å; V74-I78 WeakPolarHBondContact O-CG1 3.34Å; V74-I78 PolarHBondContact O-N 2.95Å; V74-T238 HydrophobicContact CG2-CG2 3.96Å; V74-L241 HydrophobicContact CB-CB 4.45Å; V74-L241 HydrophobicContact CG1-CB 4.2Å; V74-L241 HydrophobicContact CG2-CB 4.16Å; V74-L241 HydrophobicContact CG2-CD1 4.27Å; V74-L242 HydrophobicContact CG1-CD2 3.9Å; V74-L242 HydrophobicContact CG1-CG 4.35Å
75	E	98.5	Very high	97.6	Very high	88 Å²	88	38 Å²	38	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-46.2	175.8	177.8	64.4	-141.4	0	0	111.1	A71 E72 A77 I78 Q79 H245	A71-E75 PolarHBondContact O-N 2.77Å; E72-E75 PolarHBondContact O-N 2.89Å; E75-A77 PolarHBondContact O-N 3.2Å; E75-I78 PolarHBondContact O-N 3.06Å; E75-Q79 WeakPolarHBondContact O-CB 3.24Å; E75-Q79 PolarHBondContact O-N 3.14Å; E75-H245 IonicContact OE2-CD2 3.39Å; E75-H245 IonicContact OE2-CE1 3.6Å; E75-H245 IonicContact OE2-NE2 3.72Å; E75-H245 PolarHBondContact OE2-NE2 2.85Å
76	E	98.4	Very high	97.7	Very high	65 Å²	65	36 Å²	36	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-46.8	178.1	-73	-176.3	-165.5	0	0	112.3	W38 R46 E72 E73 I78 Q79 S80	W38-E76 PolarHBondContact NE1-OE2 2.97Å; R46-E76 IonicContact CZ-OE1 3.52Å; R46-E76 IonicContact NE-OE1 2.68Å; R46-E76 IonicContact NH2-OE1 3.41Å; R46-E76 PolarHBondContact NH2-OE1 3.04Å; E72-E76 WeakPolarHBondContact O-CG 3.38Å; E72-E76 PolarHBondContact O-N 3.29Å; E73-E76 PolarHBondContact O-N 3.34Å; E76-I78 PolarHBondContact O-N 3.22Å; E76-Q79 PolarHBondContact O-N 3Å; E76-S80 WeakPolarHBondContact O-CB 3.46Å; E76-S80 PolarHBondContact O-N 3.45Å
77	A	98.7	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-40.9	179.2	0	0	0	0	0	111.8	W38 E73 V74 E75 S80 A81 V201 C230 V232	W38-A77 HydrophobicContact CB-CB 4.25Å; W38-A77 HydrophobicContact CD2-CB 4.44Å; W38-A77 HydrophobicContact CE3-CB 4.37Å; W38-A77 HydrophobicContact CG-CB 4.41Å; E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 2.85Å; V74-A77 PolarHBondContact O-N 3.41Å; E75-A77 PolarHBondContact O-N 3.2Å; A77-S80 PolarHBondContact O-N 2.88Å; A77-A81 WeakPolarHBondContact O-CB 3.05Å; A77-A81 PolarHBondContact O-N 3.24Å; A77-V201 HydrophobicContact CB-CG1 4.42Å; A77-C230 HydrophobicContact CB-CB 4.33Å; A77-V232 HydrophobicContact CB-CG1 3.49Å; A77-V232 VanDerWaalsContact CB-CG1 3.49Å
78	I	98.8	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-40.8	178.1	-66.8	-73.9	0	0	0	111.5	V74 E75 E76 S80 A81 H82 V172 V174 V201 L242 H245 K247 V248	V74-I78 HydrophobicContact CG1-CG1 4.31Å; V74-I78 WeakPolarHBondContact O-CB 3.47Å; V74-I78 WeakPolarHBondContact O-CG1 3.34Å; V74-I78 PolarHBondContact O-N 2.95Å; E75-I78 PolarHBondContact O-N 3.06Å; E76-I78 PolarHBondContact O-N 3.22Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.46Å; I78-A81 PolarHBondContact O-N 3.37Å; I78-H82 WeakPolarHBondContact O-CB 3.36Å; I78-H82 PolarHBondContact O-N 3.26Å; I78-V172 HydrophobicContact CD1-CG1 3.88Å; I78-V174 HydrophobicContact CD1-CG2 4.36Å; I78-V201 HydrophobicContact CD1-CB 4.13Å; I78-V201 HydrophobicContact CD1-CG2 3.65Å; I78-V201 HydrophobicContact CG1-CG2 4.41Å; I78-L242 HydrophobicContact CD1-CD2 4.26Å; I78-H245 WeakPolarHBondContact CG2-CE1 3.34Å; I78-K247 HydrophobicContact CG2-CB 3.85Å; I78-K247 HydrophobicContact CG2-CD 4.45Å; I78-V248 HydrophobicContact CD1-CG2 3.53Å
79	Q	98.6	Very high	98.1	Very high	72 Å²	72	42.6 Å²	42.6	34%	0.336	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-36.2	177.4	-176.4	55	39.5	0	0	111.5	E75 E76 S83	E75-Q79 WeakPolarHBondContact O-CB 3.24Å; E75-Q79 PolarHBondContact O-N 3.14Å; E76-Q79 PolarHBondContact O-N 3Å; Q79-S83 PolarHBondContact NE2-OG 3.31Å; Q79-S83 WeakPolarHBondContact O-CB 3.29Å; Q79-S83 PolarHBondContact O-N 3.01Å; Q79-S83 PolarHBondContact O-OG 2.89Å
80	S	98.6	Very high	98.1	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-49.3	170.5	-173.4	0	0	0	0	111.2	A39 E76 A77 I78 H82 S83 A84 G227	A39-S80 WeakPolarHBondContact CA-OG 3.49Å; A39-S80 PolarHBondContact N-OG 3.33Å; A39-S80 VanDerWaalsContact N-OG 3.1Å; E76-S80 WeakPolarHBondContact O-CB 3.46Å; E76-S80 PolarHBondContact O-N 3.45Å; A77-S80 PolarHBondContact O-N 2.88Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.46Å; S80-H82 PolarHBondContact O-N 3.41Å; S80-S83 PolarHBondContact O-N 3.29Å; S80-A84 PolarHBondContact O-N 3.48Å; S80-A84 VanDerWaalsContact O-N 3.08Å; S80-G227 WeakPolarHBondContact OG-CA 3.25Å
81	A	98.8	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-44.3	177.5	0	0	0	0	0	113.2	A77 I78 S83 A84 Y85 V172 A199 V201 G227	A77-A81 WeakPolarHBondContact O-CB 3.05Å; A77-A81 PolarHBondContact O-N 3.24Å; I78-A81 PolarHBondContact O-N 3.37Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.11Å; A81-A84 PolarHBondContact O-N 3.36Å; A81-Y85 WeakPolarHBondContact O-CB 3.34Å; A81-Y85 PolarHBondContact O-N 3Å; A81-V172 HydrophobicContact CB-CG1 3.96Å; A81-V172 HydrophobicContact CB-CG2 4.19Å; A81-A199 HydrophobicContact CB-CB 3.94Å; A81-A199 WeakPolarHBondContact O-CB 3.44Å; A81-V201 HydrophobicContact CB-CG2 3.68Å; A81-G227 WeakPolarHBondContact CA-O 3.41Å
82	H	98.7	Very high	98.3	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.292	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-41.2	177	-176.5	-81.1	0	0	0	111.9	I78 S80 Y85 V86 V172	I78-H82 WeakPolarHBondContact O-CB 3.36Å; I78-H82 PolarHBondContact O-N 3.26Å; S80-H82 PolarHBondContact O-N 3.41Å; H82-Y85 WeakPolarHBondContact O-CB 3.31Å; H82-Y85 PolarHBondContact O-N 2.97Å; H82-V86 WeakPolarHBondContact O-CG2 3.19Å; H82-V86 PolarHBondContact O-N 2.83Å; H82-V172 HydrophobicContact CB-CG2 3.94Å
83	S	98.4	Very high	98.4	Very high	59 Å²	59	46.9 Å²	46.9	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-39.3	179.5	-57	0	0	0	0	112	Q79 S80 A81	Q79-S83 PolarHBondContact NE2-OG 3.31Å; Q79-S83 WeakPolarHBondContact O-CB 3.29Å; Q79-S83 PolarHBondContact O-N 3.01Å; Q79-S83 PolarHBondContact O-OG 2.89Å; S80-S83 PolarHBondContact O-N 3.29Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 3.11Å
84	A	98.6	Very high	98.4	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-42.5	174.9	0	0	0	0	0	112.2	S80 A81 V86 K87 W88 P225 D226 L228	S80-A84 PolarHBondContact O-N 3.48Å; S80-A84 VanDerWaalsContact O-N 3.08Å; A81-A84 PolarHBondContact O-N 3.36Å; A84-V86 VanDerWaalsContact C-N 3.31Å; A84-V86 PolarHBondContact O-N 3.36Å; A84-K87 PolarHBondContact O-N 2.87Å; A84-K87 VanDerWaalsContact O-N 3.08Å; A84-W88 PolarHBondContact O-N 2.83Å; A84-P225 HydrophobicContact CB-CB 4.39Å; A84-D226 WeakPolarHBondContact CB-O 3.22Å; A84-L228 HydrophobicContact CB-CB 3.93Å; A84-L228 HydrophobicContact CB-CD1 3.87Å; A84-L228 VanDerWaalsContact CB-N 3.28Å
85	Y	98.7	Very high	98.5	Very high	52 Å²	52	54.3 Å²	54.3	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-53	-45.1	176.9	159.6	-111.1	0	0	0	112.4	A81 H82 K87 W88 S89 A169 G197	A81-Y85 WeakPolarHBondContact O-CB 3.34Å; A81-Y85 PolarHBondContact O-N 3Å; H82-Y85 WeakPolarHBondContact O-CB 3.31Å; H82-Y85 PolarHBondContact O-N 2.97Å; Y85-K87 PolarHBondContact O-N 2.92Å; Y85-K87 VanDerWaalsContact O-N 3.15Å; Y85-W88 PolarHBondContact O-N 3.11Å; Y85-S89 VanDerWaalsContact CE2-CB 3.5Å; Y85-S89 VanDerWaalsContact O-CB 3.28Å; Y85-S89 WeakPolarHBondContact O-CB 3.49Å; Y85-S89 PolarHBondContact O-N 2.9Å; Y85-S89 PolarHBondContact O-OG 3.29Å; Y85-A169 HydrophobicContact CE2-CB 3.88Å; Y85-G197 WeakPolarHBondContact CD2-O 3.08Å
86	V	97.8	Very high	98.5	Very high	59 Å²	59	51.1 Å²	51.1	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-30.6	-179.3	171.8	0	0	0	0	112.5	H82 A84 K90	H82-V86 WeakPolarHBondContact O-CG2 3.19Å; H82-V86 PolarHBondContact O-N 2.83Å; A84-V86 VanDerWaalsContact C-N 3.31Å; A84-V86 PolarHBondContact O-N 3.36Å; V86-K90 WeakPolarHBondContact O-CD 3.27Å; V86-K90 WeakPolarHBondContact O-CE 3.35Å; V86-K90 WeakPolarHBondContact O-CG 3.43Å
87	K	97.3	Very high	98.5	Very high	153 Å²	153	48.2 Å²	48.2	67%	0.665	25%	0.248	S	C	*	.	H	α-helix	trans	-84.7	-49.7	176.6	-62.7	178.6	-178	177.2	0	111	A84 Y85 S89 K90	A84-K87 PolarHBondContact O-N 2.87Å; A84-K87 VanDerWaalsContact O-N 3.08Å; Y85-K87 PolarHBondContact O-N 2.92Å; Y85-K87 VanDerWaalsContact O-N 3.15Å; K87-S89 PolarHBondContact O-N 3.06Å; K87-K90 PolarHBondContact O-N 3.04Å
88	W	98.7	Very high	98.5	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-38.7	-174.7	-176.2	-110.2	0	0	0	113.8	A84 Y85 K90 M91 R96 V99 L194 P225 L228	A84-W88 PolarHBondContact O-N 2.83Å; Y85-W88 PolarHBondContact O-N 3.11Å; W88-K90 PolarHBondContact O-N 3.43Å; W88-M91 HydrophobicContact CD2-SD 4.27Å; W88-M91 HydrophobicContact CE3-CE 4.07Å; W88-M91 HydrophobicContact CE3-SD 3.33Å; W88-M91 HydrophobicContact CZ3-CE 3.73Å; W88-M91 HydrophobicContact CZ3-SD 3.65Å; W88-M91 WeakPolarHBondContact O-CB 2.91Å; W88-M91 PolarHBondContact O-N 3.12Å; W88-M91 VanDerWaalsContact O-N 3.14Å; W88-R96 HydrophobicContact CD2-CG 4.07Å; W88-R96 HydrophobicContact CE3-CG 4.38Å; W88-R96 HydrophobicContact CH2-CB 3.82Å; W88-R96 HydrophobicContact CH2-CG 3.86Å; W88-R96 HydrophobicContact CZ2-CB 3.53Å; W88-R96 HydrophobicContact CZ2-CG 3.49Å; W88-R96 VanDerWaalsContact CZ2-CG 3.49Å; W88-R96 HydrophobicContact CZ3-CG 4.29Å; W88-R96 VanDerWaalsContact NE1-CD 3.27Å; W88-V99 HydrophobicContact CH2-CB 3.96Å; W88-V99 HydrophobicContact CH2-CG1 4.01Å; W88-V99 HydrophobicContact CH2-CG2 4.4Å; W88-V99 HydrophobicContact CZ3-CB 4.32Å; W88-V99 HydrophobicContact CZ3-CG1 4.28Å; W88-V99 HydrophobicContact CZ3-CG2 4.31Å; W88-L194 HydrophobicContact CZ2-CB 4.44Å; W88-L194 PolarHBondContact NE1-O 3.2Å; W88-P225 HydrophobicContact CE3-CG 3.8Å; W88-P225 HydrophobicContact CZ3-CG 4.45Å; W88-L228 HydrophobicContact CB-CD1 3.38Å; W88-L228 HydrophobicContact CB-CD2 4.11Å; W88-L228 HydrophobicContact CB-CG 4.4Å; W88-L228 HydrophobicContact CD2-CD1 4.37Å; W88-L228 HydrophobicContact CD2-CD2 3.4Å; W88-L228 HydrophobicContact CE3-CD2 3.97Å; W88-L228 HydrophobicContact CG-CD1 3.57Å; W88-L228 HydrophobicContact CG-CD2 3.46Å; W88-L228 VanDerWaalsContact CG-CD2 3.46Å; W88-L228 HydrophobicContact CG-CG 4.16Å; W88-L228 HydrophobicContact CZ2-CD2 4.16Å
89	S	98.4	Very high	98.5	Very high	40 Å²	40	57.3 Å²	57.3	28%	0.28	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.8	177.4	57.2	0	0	0	0	113.9	Y85 K87	Y85-S89 VanDerWaalsContact CE2-CB 3.5Å; Y85-S89 VanDerWaalsContact O-CB 3.28Å; Y85-S89 WeakPolarHBondContact O-CB 3.49Å; Y85-S89 PolarHBondContact O-N 2.9Å; Y85-S89 PolarHBondContact O-OG 3.29Å; K87-S89 PolarHBondContact O-N 3.06Å
90	K	98.2	Very high	98.5	Very high	168 Å²	168	53.9 Å²	53.9	73%	0.73	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.8	177	-64.1	179.4	-177.7	-179.6	0	113.4	V86 K87 W88	V86-K90 WeakPolarHBondContact O-CD 3.27Å; V86-K90 WeakPolarHBondContact O-CE 3.35Å; V86-K90 WeakPolarHBondContact O-CG 3.43Å; K87-K90 PolarHBondContact O-N 3.04Å; W88-K90 PolarHBondContact O-N 3.43Å
91	M	98.6	Very high	98.5	Very high	51 Å²	51	56.4 Å²	56.4	25%	0.251	28%	0.28	S	S	.	.	S	Bend	trans	-68.5	143.3	173	-66.3	172.9	66	0	0	109.2	W88 E95 R96	W88-M91 HydrophobicContact CD2-SD 4.27Å; W88-M91 HydrophobicContact CE3-CE 4.07Å; W88-M91 HydrophobicContact CE3-SD 3.33Å; W88-M91 HydrophobicContact CZ3-CE 3.73Å; W88-M91 HydrophobicContact CZ3-SD 3.65Å; W88-M91 WeakPolarHBondContact O-CB 2.91Å; W88-M91 PolarHBondContact O-N 3.12Å; W88-M91 VanDerWaalsContact O-N 3.14Å; M91-E95 HydrophobicContact CB-CB 4.06Å; M91-E95 HydrophobicContact CE-CB 3.65Å; M91-R96 HydrophobicContact CB-CG 3.96Å; M91-R96 PolarHBondContact O-NH1 2.77Å
92	S	98.4	Very high	98.5	Very high	57 Å²	57	59.7 Å²	59.7	40%	0.399	30%	0.295	S	S	.	.			trans	-62.8	160	170	65.7	0	0	0	0	111.2	M94 E95 R96	S92-M94 PolarHBondContact O-N 3.09Å; S92-E95 WeakPolarHBondContact CB-OE2 3.36Å; S92-E95 PolarHBondContact N-OE2 2.91Å; S92-E95 PolarHBondContact O-N 3.31Å; S92-E95 VanDerWaalsContact O-N 3.17Å; S92-E95 VanDerWaalsContact OG-CG 3.31Å; S92-E95 WeakPolarHBondContact OG-CG 3.44Å; S92-E95 PolarHBondContact OG-N 3.1Å; S92-E95 PolarHBondContact OG-OE2 2.82Å; S92-R96 PolarHBondContact O-N 3.37Å; S92-R96 VanDerWaalsContact O-N 3.11Å
93	G	98.4	Very high	98.5	Very high	14 Å²	14	56.7 Å²	56.7	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-54.8	-35.4	174.7	0	0	0	0	0	113.4	A97 A147	G93-A97 WeakPolarHBondContact O-CB 3.12Å; G93-A97 PolarHBondContact O-N 2.97Å; G93-A147 WeakPolarHBondContact CA-O 3.12Å; G93-A147 WeakPolarHBondContact O-CB 3.27Å
94	M	98.4	Very high	98.6	Very high	91 Å²	91	53.9 Å²	53.9	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-73	-36	177.7	-80.6	-59.4	96.2	0	0	114.3	S92 R96 A97 R98	S92-M94 PolarHBondContact O-N 3.09Å; M94-R96 VanDerWaalsContact C-N 3.33Å; M94-A97 HydrophobicContact CE-CB 3.76Å; M94-A97 PolarHBondContact O-N 2.9Å; M94-R98 WeakPolarHBondContact O-CG 3.49Å; M94-R98 PolarHBondContact O-N 3.31Å
95	E	98.8	Very high	98.6	Very high	85 Å²	85	57.6 Å²	57.6	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-40.8	173.7	-71.4	163.5	127.4	0	0	111	M91 S92	M91-E95 HydrophobicContact CB-CB 4.06Å; M91-E95 HydrophobicContact CE-CB 3.65Å; S92-E95 WeakPolarHBondContact CB-OE2 3.36Å; S92-E95 PolarHBondContact N-OE2 2.91Å; S92-E95 PolarHBondContact O-N 3.31Å; S92-E95 VanDerWaalsContact O-N 3.17Å; S92-E95 VanDerWaalsContact OG-CG 3.31Å; S92-E95 WeakPolarHBondContact OG-CG 3.44Å; S92-E95 PolarHBondContact OG-N 3.1Å; S92-E95 PolarHBondContact OG-OE2 2.82Å
96	R	98.8	Very high	98.6	Very high	21 Å²	21	55.2 Å²	55.2	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-45	173.9	-63.5	-163.8	-61.1	-92.1	4.3	112.2	W88 M91 S92 M94 R98 V99 M100 L194 A195	W88-R96 HydrophobicContact CD2-CG 4.07Å; W88-R96 HydrophobicContact CE3-CG 4.38Å; W88-R96 HydrophobicContact CH2-CB 3.82Å; W88-R96 HydrophobicContact CH2-CG 3.86Å; W88-R96 HydrophobicContact CZ2-CB 3.53Å; W88-R96 HydrophobicContact CZ2-CG 3.49Å; W88-R96 VanDerWaalsContact CZ2-CG 3.49Å; W88-R96 HydrophobicContact CZ3-CG 4.29Å; W88-R96 VanDerWaalsContact NE1-CD 3.27Å; M91-R96 HydrophobicContact CB-CG 3.96Å; M91-R96 PolarHBondContact O-NH1 2.77Å; S92-R96 PolarHBondContact O-N 3.37Å; S92-R96 VanDerWaalsContact O-N 3.11Å; M94-R96 VanDerWaalsContact C-N 3.33Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 2.65Å; R96-V99 PolarHBondContact O-N 2.78Å; R96-M100 WeakPolarHBondContact O-CG 2.97Å; R96-M100 PolarHBondContact O-N 2.82Å; R96-M100 VanDerWaalsContact O-N 3.08Å; R96-L194 WeakPolarHBondContact CD-O 3.25Å; R96-A195 VanDerWaalsContact CZ-O 3.31Å; R96-A195 PolarHBondContact NE-O 3.05Å; R96-A195 PolarHBondContact NH2-O 3.09Å
97	A	98.8	Very high	98.6	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-45.2	179.3	0	0	0	0	0	112.5	G93 M94 V99 M100 L101 A144 A147	G93-A97 WeakPolarHBondContact O-CB 3.12Å; G93-A97 PolarHBondContact O-N 2.97Å; M94-A97 HydrophobicContact CE-CB 3.76Å; M94-A97 PolarHBondContact O-N 2.9Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 3.49Å; A97-M100 PolarHBondContact O-N 3.45Å; A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 2.85Å; A97-A144 WeakPolarHBondContact CB-O 3.33Å; A97-A147 HydrophobicContact CB-CB 4.23Å
98	R	98.8	Very high	98.7	Very high	169 Å²	169	49.2 Å²	49.2	64%	0.638	23%	0.232	S	C	*	.	H	α-helix	trans	-59.1	-43.4	-179.1	-71.6	173.5	-172.7	137.5	1.7	112.7	M94 R96 E102	M94-R98 WeakPolarHBondContact O-CG 3.49Å; M94-R98 PolarHBondContact O-N 3.31Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 2.65Å; R98-E102 PolarHBondContact O-N 3.37Å
99	V	98.8	Very high	98.6	Very high	22 Å²	22	55.2 Å²	55.2	13%	0.133	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-42.3	177	172.5	0	0	0	0	110.9	W88 R96 A97 E102 A103 V224	W88-V99 HydrophobicContact CH2-CB 3.96Å; W88-V99 HydrophobicContact CH2-CG1 4.01Å; W88-V99 HydrophobicContact CH2-CG2 4.4Å; W88-V99 HydrophobicContact CZ3-CB 4.32Å; W88-V99 HydrophobicContact CZ3-CG1 4.28Å; W88-V99 HydrophobicContact CZ3-CG2 4.31Å; R96-V99 PolarHBondContact O-N 2.78Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 3.49Å; V99-E102 WeakPolarHBondContact O-CB 3.44Å; V99-E102 PolarHBondContact O-N 3.02Å; V99-A103 PolarHBondContact O-N 2.79Å; V99-A103 VanDerWaalsContact O-N 3.09Å; V99-V224 HydrophobicContact CG1-CB 4.43Å; V99-V224 HydrophobicContact CG1-CG2 3.57Å
100	M	98.9	Very high	98.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-37.6	178.6	-67.4	177.7	67	0	0	112.7	R96 A97 E102 A103 A104 M140 A144 A191 L194 A195	R96-M100 WeakPolarHBondContact O-CG 2.97Å; R96-M100 PolarHBondContact O-N 2.82Å; R96-M100 VanDerWaalsContact O-N 3.08Å; A97-M100 PolarHBondContact O-N 3.45Å; M100-E102 VanDerWaalsContact C-N 3.28Å; M100-E102 PolarHBondContact O-N 3.3Å; M100-A103 WeakPolarHBondContact O-CB 3.38Å; M100-A103 PolarHBondContact O-N 2.86Å; M100-A104 PolarHBondContact O-N 2.89Å; M100-M140 HydrophobicContact CB-CG 4.45Å; M100-M140 HydrophobicContact CB-SD 4.04Å; M100-M140 HydrophobicContact CE-SD 3.62Å; M100-M140 HydrophobicContact CG-SD 4.26Å; M100-M140 VanDerWaalsContact O-CG 3.24Å; M100-M140 WeakPolarHBondContact O-CG 3.35Å; M100-A144 HydrophobicContact CB-CB 3.59Å; M100-A144 HydrophobicContact CE-CB 4.49Å; M100-A191 HydrophobicContact CE-CB 4.34Å; M100-A191 VanDerWaalsContact CE-O 3.26Å; M100-A191 WeakPolarHBondContact CE-O 3.26Å; M100-L194 HydrophobicContact CE-CB 4.5Å; M100-L194 HydrophobicContact SD-CB 4.24Å; M100-A195 HydrophobicContact CE-CB 3.98Å; M100-A195 HydrophobicContact SD-CB 3.97Å
101	L	98.9	Very high	98.6	Very high	72 Å²	72	51.6 Å²	51.6	38%	0.377	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-36.7	174	-72.8	171.7	0	0	0	111.8	A97 A104 R105 E141 A144	A97-L101 WeakPolarHBondContact O-CG 3.41Å; A97-L101 PolarHBondContact O-N 2.85Å; L101-A104 WeakPolarHBondContact O-CB 3.31Å; L101-A104 PolarHBondContact O-N 2.86Å; L101-R105 PolarHBondContact O-N 3.09Å; L101-E141 HydrophobicContact CD2-CG 3.86Å; L101-A144 HydrophobicContact CD2-CB 3.9Å; L101-A144 HydrophobicContact CG-CB 3.85Å
102	E	98.9	Very high	98.5	Very high	68 Å²	68	56.1 Å²	56.1	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-41.3	174.4	-177.1	62	-176.4	0	0	111.6	R98 V99 M100 A104 R105 I106 A222	R98-E102 PolarHBondContact O-N 3.37Å; V99-E102 WeakPolarHBondContact O-CB 3.44Å; V99-E102 PolarHBondContact O-N 3.02Å; M100-E102 VanDerWaalsContact C-N 3.28Å; M100-E102 PolarHBondContact O-N 3.3Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.1Å; E102-R105 VanDerWaalsContact CD-NE 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.35Å; E102-R105 PolarHBondContact O-N 3.3Å; E102-R105 IonicContact OE1-CZ 3.3Å; E102-R105 VanDerWaalsContact OE1-CZ 3.3Å; E102-R105 IonicContact OE1-NE 2.89Å; E102-R105 PolarHBondContact OE1-NE 3.1Å; E102-R105 IonicContact OE1-NH2 2.65Å; E102-R105 PolarHBondContact OE1-NH2 2.83Å; E102-R105 IonicContact OE2-CZ 3.83Å; E102-R105 IonicContact OE2-NE 3.22Å; E102-R105 PolarHBondContact OE2-NE 2.87Å; E102-R105 IonicContact OE2-NH2 2.85Å; E102-I106 HydrophobicContact CG-CD1 4.17Å; E102-I106 WeakPolarHBondContact O-CG1 3.38Å; E102-I106 PolarHBondContact O-N 2.78Å; E102-A222 HydrophobicContact CB-CB 4.2Å; E102-A222 HydrophobicContact CG-CB 4.08Å
103	A	98.8	Very high	98.4	Very high	0 Å²	0	57 Å²	57	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-44.1	172.1	0	0	0	0	0	111.5	V99 M100 R105 I106 I107 M140 I218 Y219 A222	V99-A103 PolarHBondContact O-N 2.79Å; V99-A103 VanDerWaalsContact O-N 3.09Å; M100-A103 WeakPolarHBondContact O-CB 3.38Å; M100-A103 PolarHBondContact O-N 2.86Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.87Å; A103-I106 PolarHBondContact O-N 2.82Å; A103-I107 VanDerWaalsContact O-CG1 3.27Å; A103-I107 WeakPolarHBondContact O-CG1 3.35Å; A103-I107 PolarHBondContact O-N 2.82Å; A103-M140 HydrophobicContact CB-CG 4.34Å; A103-I218 HydrophobicContact CB-CG2 4.16Å; A103-Y219 HydrophobicContact CB-CD1 4.09Å; A103-Y219 HydrophobicContact CB-CE1 4.28Å; A103-A222 HydrophobicContact CB-CB 3.74Å
104	A	98.9	Very high	98.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-42.5	175.9	0	0	0	0	0	112.3	M100 L101 E102 I107 R108 M140 E141	M100-A104 PolarHBondContact O-N 2.89Å; L101-A104 WeakPolarHBondContact O-CB 3.31Å; L101-A104 PolarHBondContact O-N 2.86Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.1Å; A104-I107 PolarHBondContact O-N 3.26Å; A104-R108 PolarHBondContact O-N 2.81Å; A104-R108 VanDerWaalsContact O-N 3.1Å; A104-M140 HydrophobicContact CB-CB 3.93Å; A104-M140 HydrophobicContact CB-CG 3.91Å; A104-E141 HydrophobicContact CB-CB 4.25Å
105	R	98.8	Very high	98.4	Very high	83 Å²	83	52 Å²	52	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-48	175.2	-172.9	-168.4	68.2	76.1	10.1	111.6	L101 E102 A103 I107 R108 E109	L101-R105 PolarHBondContact O-N 3.09Å; E102-R105 VanDerWaalsContact CD-NE 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.35Å; E102-R105 PolarHBondContact O-N 3.3Å; E102-R105 IonicContact OE1-CZ 3.3Å; E102-R105 VanDerWaalsContact OE1-CZ 3.3Å; E102-R105 IonicContact OE1-NE 2.89Å; E102-R105 PolarHBondContact OE1-NE 3.1Å; E102-R105 IonicContact OE1-NH2 2.65Å; E102-R105 PolarHBondContact OE1-NH2 2.83Å; E102-R105 IonicContact OE2-CZ 3.83Å; E102-R105 IonicContact OE2-NE 3.22Å; E102-R105 PolarHBondContact OE2-NE 2.87Å; E102-R105 IonicContact OE2-NH2 2.85Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.87Å; R105-I107 PolarHBondContact O-N 3.49Å; R105-R108 WeakPolarHBondContact O-CB 3.5Å; R105-R108 PolarHBondContact O-N 3.38Å; R105-E109 IonicContact CZ-OE1 3.67Å; R105-E109 IonicContact CZ-OE2 3.64Å; R105-E109 IonicContact NH1-OE1 2.58Å; R105-E109 PolarHBondContact NH1-OE1 3.38Å; R105-E109 IonicContact NH1-OE2 2.71Å; R105-E109 PolarHBondContact NH1-OE2 3.31Å; R105-E109 IonicContact NH2-OE2 3.96Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.38Å
106	I	98.8	Very high	98.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-39.7	-179.1	-63	163.2	0	0	0	111.3	E102 A103 R108 E109 R110 I218 E221 A222	E102-I106 HydrophobicContact CG-CD1 4.17Å; E102-I106 WeakPolarHBondContact O-CG1 3.38Å; E102-I106 PolarHBondContact O-N 2.78Å; A103-I106 PolarHBondContact O-N 2.82Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.06Å; I106-E109 PolarHBondContact O-N 3.23Å; I106-R110 WeakPolarHBondContact O-CG 3.39Å; I106-R110 PolarHBondContact O-N 3.37Å; I106-I218 HydrophobicContact CB-CG2 4.09Å; I106-I218 HydrophobicContact CG2-CB 4.46Å; I106-I218 HydrophobicContact CG2-CD1 4.44Å; I106-I218 HydrophobicContact CG2-CG1 3.92Å; I106-I218 HydrophobicContact CG2-CG2 4.03Å; I106-E221 HydrophobicContact CD1-CB 4.16Å; I106-E221 HydrophobicContact CD1-CG 3.9Å; I106-A222 HydrophobicContact CD1-CB 4.16Å
107	I	98.7	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-46.3	175	-62.9	164.7	0	0	0	110.2	A103 A104 R105 E109 R110 R111 I114 V133 W137 F183 M215 I218	A103-I107 VanDerWaalsContact O-CG1 3.27Å; A103-I107 WeakPolarHBondContact O-CG1 3.35Å; A103-I107 PolarHBondContact O-N 2.82Å; A104-I107 PolarHBondContact O-N 3.26Å; R105-I107 PolarHBondContact O-N 3.49Å; I107-E109 VanDerWaalsContact C-N 3.34Å; I107-E109 PolarHBondContact O-N 2.66Å; I107-R110 CarbonylContact O-C 3.54Å; I107-R110 PolarHBondContact O-N 2.78Å; I107-R111 PolarHBondContact O-N 3.46Å; I107-I114 HydrophobicContact CG2-CD1 4.13Å; I107-V133 HydrophobicContact CG2-CG1 3.67Å; I107-W137 HydrophobicContact CB-CB 3.86Å; I107-W137 HydrophobicContact CD1-CB 4.47Å; I107-W137 HydrophobicContact CG2-CB 3.74Å; I107-F183 HydrophobicContact CD1-CZ 4.41Å; I107-F183 HydrophobicContact CG1-CZ 4.22Å; I107-F183 HydrophobicContact CG2-CE1 3.9Å; I107-F183 HydrophobicContact CG2-CZ 4.09Å; I107-M215 HydrophobicContact CD1-CE 4.05Å; I107-M215 HydrophobicContact CD1-SD 3.92Å; I107-M215 HydrophobicContact CG1-SD 4.43Å; I107-I218 HydrophobicContact CG1-CD1 3.87Å; I107-I218 HydrophobicContact CG1-CG2 4.08Å
108	R	98.4	Very high	98.3	Very high	86 Å²	86	49 Å²	49	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-45	176.6	-76.9	-170.5	-68.8	-111.5	2.1	112.4	A104 R105 I106 R110 R111 W137 E141	A104-R108 PolarHBondContact O-N 2.81Å; A104-R108 VanDerWaalsContact O-N 3.1Å; R105-R108 WeakPolarHBondContact O-CB 3.5Å; R105-R108 PolarHBondContact O-N 3.38Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.06Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 3.46Å; R108-R111 VanDerWaalsContact O-CB 3.26Å; R108-R111 WeakPolarHBondContact O-CB 3.42Å; R108-R111 PolarHBondContact O-N 3.25Å; R108-W137 HydrophobicContact CG-CB 3.97Å; R108-W137 VanDerWaalsContact CG-CD1 3.47Å; R108-W137 HydrophobicContact CG-CD2 3.36Å; R108-W137 HydrophobicContact CG-CE3 3.95Å; R108-W137 HydrophobicContact CG-CG 3.34Å; R108-W137 HydrophobicContact CG-CZ2 4.34Å; R108-E141 IonicContact CZ-OE2 2.99Å; R108-E141 IonicContact NH1-OE1 3.98Å; R108-E141 PolarHBondContact NH1-OE1 3.41Å; R108-E141 IonicContact NH1-OE2 2.69Å; R108-E141 PolarHBondContact NH1-OE2 3.38Å; R108-E141 IonicContact NH2-OE2 3.74Å; R108-E141 PolarHBondContact NH2-OE2 2.88Å
109	E	98.3	Very high	98.3	Very high	127 Å²	127	41 Å²	41	59%	0.593	18%	0.18	S	C	*	.	H	α-helix	trans	-67.8	-29.9	-178.8	-73.9	173.8	-177.7	0	0	113.1	R105 I106 I107	R105-E109 IonicContact CZ-OE1 3.67Å; R105-E109 IonicContact CZ-OE2 3.64Å; R105-E109 IonicContact NH1-OE1 2.58Å; R105-E109 PolarHBondContact NH1-OE1 3.38Å; R105-E109 IonicContact NH1-OE2 2.71Å; R105-E109 PolarHBondContact NH1-OE2 3.31Å; R105-E109 IonicContact NH2-OE2 3.96Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.38Å; I106-E109 PolarHBondContact O-N 3.23Å; I107-E109 VanDerWaalsContact C-N 3.34Å; I107-E109 PolarHBondContact O-N 2.66Å
110	R	97.4	Very high	98.3	Very high	63 Å²	63	40.1 Å²	40.1	24%	0.238	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.6	-179.5	-62.7	-178.2	179.4	168.3	6.3	113.2	L18 I106 I107 R108 E112 K113 I114 E221	L18-R110 HydrophobicContact CD1-CB 4.2Å; L18-R110 HydrophobicContact CD1-CG 4.4Å; I106-R110 WeakPolarHBondContact O-CG 3.39Å; I106-R110 PolarHBondContact O-N 3.37Å; I107-R110 CarbonylContact O-C 3.54Å; I107-R110 PolarHBondContact O-N 2.78Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 3.46Å; R110-E112 PolarHBondContact O-N 2.84Å; R110-K113 PolarHBondContact O-N 3.05Å; R110-I114 HydrophobicContact CB-CD1 3.86Å; R110-I114 HydrophobicContact CB-CG1 4.11Å; R110-I114 WeakPolarHBondContact O-CG1 3.33Å; R110-I114 PolarHBondContact O-N 2.89Å; R110-E221 IonicContact CZ-OE1 3.81Å; R110-E221 IonicContact CZ-OE2 3.11Å; R110-E221 IonicContact NH1-OE2 2.78Å; R110-E221 PolarHBondContact NH1-OE2 3.35Å; R110-E221 IonicContact NH2-OE1 2.85Å; R110-E221 PolarHBondContact NH2-OE1 3.25Å; R110-E221 IonicContact NH2-OE2 2.69Å; R110-E221 PolarHBondContact NH2-OE2 3.29Å
111	R	97.7	Very high	98.2	Very high	69 Å²	69	40.1 Å²	40.1	26%	0.26	18%	0.175	S	C	.	.	H	α-helix	trans	-44.9	-54.6	-171.4	178.1	-177	-177.7	-96	5.3	113.7	I107 R108 K113 I114 A115 L130 V133 D134	I107-R111 PolarHBondContact O-N 3.46Å; R108-R111 VanDerWaalsContact O-CB 3.26Å; R108-R111 WeakPolarHBondContact O-CB 3.42Å; R108-R111 PolarHBondContact O-N 3.25Å; R111-K113 PolarHBondContact O-N 2.88Å; R111-I114 PolarHBondContact O-N 3.42Å; R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 3.5Å; R111-L130 HydrophobicContact CG-CD2 4.28Å; R111-L130 PolarHBondContact NH2-O 2.85Å; R111-V133 HydrophobicContact CB-CG1 4.24Å; R111-V133 HydrophobicContact CG-CB 4.32Å; R111-V133 HydrophobicContact CG-CG1 4.04Å; R111-D134 VanDerWaalsContact CD-OD1 3.3Å; R111-D134 WeakPolarHBondContact CD-OD1 3.46Å; R111-D134 IonicContact CZ-OD1 3.28Å; R111-D134 IonicContact CZ-OD2 3.3Å; R111-D134 VanDerWaalsContact CZ-OD2 3.28Å; R111-D134 IonicContact NE-OD1 3.45Å; R111-D134 PolarHBondContact NE-OD1 2.9Å; R111-D134 IonicContact NE-OD2 3.49Å; R111-D134 PolarHBondContact NE-OD2 2.8Å; R111-D134 IonicContact NH2-OD1 2.72Å; R111-D134 IonicContact NH2-OD2 3.99Å; R111-D134 PolarHBondContact NH2-OD2 3.36Å
112	E	96.9	Very high	98.2	Very high	146 Å²	146	36.7 Å²	36.7	68%	0.682	16%	0.157	S	C	*	.	H	α-helix	trans	-65.7	-40.3	-176.5	-64.5	-177.2	175.5	0	0	112.6	R110 A115 K116 L130	R110-E112 PolarHBondContact O-N 2.84Å; E112-A115 PolarHBondContact O-N 2.84Å; E112-K116 VanDerWaalsContact O-CB 3.3Å; E112-K116 WeakPolarHBondContact O-CB 3.48Å; E112-K116 PolarHBondContact O-N 2.75Å; E112-L130 HydrophobicContact CG-CD2 4.33Å
113	K	96.8	Very high	98.2	Very high	77 Å²	77	33.4 Å²	33.4	34%	0.335	14%	0.142	S	C	.	.	H	α-helix	trans	-67.4	-41.8	179.6	-63.8	-175.1	174.8	-172.4	0	111.4	L18 S22 R110 R111 K116 L117	L18-K113 HydrophobicContact CB-CD 4.37Å; L18-K113 HydrophobicContact CD2-CB 4.07Å; S22-K113 WeakPolarHBondContact OG-CE 3.4Å; S22-K113 PolarHBondContact OG-NZ 3.41Å; R110-K113 PolarHBondContact O-N 3.05Å; R111-K113 PolarHBondContact O-N 2.88Å; K113-K116 PolarHBondContact O-N 2.81Å; K113-L117 PolarHBondContact O-N 3.32Å; K113-L117 VanDerWaalsContact O-N 3.13Å
114	I	98	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-48.6	176.4	-61.3	167.5	0	0	0	109.8	L18 I107 R110 R111 K116 L117 E118 V133 F183 V214 I218	L18-I114 HydrophobicContact CD1-CG1 4.21Å; L18-I114 HydrophobicContact CD2-CG1 4.32Å; I107-I114 HydrophobicContact CG2-CD1 4.13Å; R110-I114 HydrophobicContact CB-CD1 3.86Å; R110-I114 HydrophobicContact CB-CG1 4.11Å; R110-I114 WeakPolarHBondContact O-CG1 3.33Å; R110-I114 PolarHBondContact O-N 2.89Å; R111-I114 PolarHBondContact O-N 3.42Å; I114-K116 VanDerWaalsContact C-N 3.3Å; I114-K116 PolarHBondContact O-N 2.9Å; I114-L117 WeakPolarHBondContact O-CB 3.28Å; I114-L117 PolarHBondContact O-N 3.36Å; I114-E118 PolarHBondContact O-N 2.93Å; I114-V133 HydrophobicContact CB-CG1 4.35Å; I114-V133 HydrophobicContact CB-CG2 3.99Å; I114-V133 HydrophobicContact CD1-CG1 4.35Å; I114-V133 HydrophobicContact CG2-CG1 4.38Å; I114-V133 HydrophobicContact CG2-CG2 3.6Å; I114-F183 HydrophobicContact CD1-CE1 4.45Å; I114-F183 HydrophobicContact CD1-CZ 4Å; I114-F183 HydrophobicContact CG2-CD1 3.85Å; I114-F183 HydrophobicContact CG2-CD2 3.91Å; I114-F183 HydrophobicContact CG2-CE1 3.88Å; I114-F183 HydrophobicContact CG2-CE2 3.93Å; I114-F183 HydrophobicContact CG2-CG 3.87Å; I114-F183 HydrophobicContact CG2-CZ 3.92Å; I114-V214 HydrophobicContact CD1-CG1 4.49Å; I114-V214 HydrophobicContact CG1-CG1 4.09Å; I114-I218 HydrophobicContact CD1-CD1 3.9Å
115	A	98.3	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.6	-41.9	179.7	0	0	0	0	0	111.5	R111 E112 L117 E118 V119 I126 A129 L130 V133	R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 3.5Å; E112-A115 PolarHBondContact O-N 2.84Å; A115-L117 PolarHBondContact O-N 2.86Å; A115-E118 WeakPolarHBondContact O-CB 3.35Å; A115-E118 PolarHBondContact O-N 2.66Å; A115-V119 VanDerWaalsContact O-CG2 3.27Å; A115-V119 WeakPolarHBondContact O-CG2 3.41Å; A115-V119 PolarHBondContact O-N 3.3Å; A115-I126 HydrophobicContact CB-CD1 3.85Å; A115-A129 HydrophobicContact CB-CB 4Å; A115-L130 HydrophobicContact CB-CD2 3.52Å; A115-L130 HydrophobicContact CB-CG 3.98Å; A115-V133 HydrophobicContact CB-CG2 4.08Å
116	K	98.1	Very high	98.2	Very high	45 Å²	45	30.4 Å²	30.4	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-41.1	176.9	-169.3	174.9	-177.6	-170.4	0	112.9	I21 A24 E112 K113 I114 V119 I120 L344	I21-K116 HydrophobicContact CG2-CB 4.14Å; I21-K116 HydrophobicContact CG2-CD 3.88Å; I21-K116 HydrophobicContact CG2-CG 4.05Å; I21-K116 PolarHBondContact O-NZ 3.32Å; I21-K116 VanDerWaalsContact O-NZ 3.12Å; A24-K116 WeakPolarHBondContact O-CE 3.12Å; A24-K116 PolarHBondContact O-NZ 3.22Å; E112-K116 VanDerWaalsContact O-CB 3.3Å; E112-K116 WeakPolarHBondContact O-CB 3.48Å; E112-K116 PolarHBondContact O-N 2.75Å; K113-K116 PolarHBondContact O-N 2.81Å; I114-K116 VanDerWaalsContact C-N 3.3Å; I114-K116 PolarHBondContact O-N 2.9Å; K116-V119 PolarHBondContact O-N 3.47Å; K116-I120 HydrophobicContact CG-CD1 4.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.45Å; K116-I120 PolarHBondContact O-N 2.87Å; K116-I120 VanDerWaalsContact O-N 3.12Å; K116-L344 HydrophobicContact CG-CD2 3.87Å
117	L	97.9	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-44.6	173.3	-173.6	45.8	0	0	0	111.5	I17 L18 I21 L29 K113 I114 A115 V119 I120 N121 L210 T211 V214	I17-L117 HydrophobicContact CD1-CD2 4.38Å; I17-L117 HydrophobicContact CG2-CD2 4.11Å; L18-L117 HydrophobicContact CD2-CD2 4.4Å; I21-L117 HydrophobicContact CD1-CB 3.6Å; I21-L117 HydrophobicContact CD1-CD1 3.53Å; I21-L117 HydrophobicContact CD1-CD2 3.66Å; I21-L117 HydrophobicContact CD1-CG 3.74Å; L29-L117 HydrophobicContact CD2-CD1 3.88Å; K113-L117 PolarHBondContact O-N 3.32Å; K113-L117 VanDerWaalsContact O-N 3.13Å; I114-L117 WeakPolarHBondContact O-CB 3.28Å; I114-L117 PolarHBondContact O-N 3.36Å; A115-L117 PolarHBondContact O-N 2.86Å; L117-V119 VanDerWaalsContact C-N 3.35Å; L117-V119 PolarHBondContact O-N 3.05Å; L117-I120 PolarHBondContact O-N 3.15Å; L117-N121 PolarHBondContact O-N 2.83Å; L117-L210 HydrophobicContact CD1-CB 4.09Å; L117-L210 HydrophobicContact CD1-CD1 3.84Å; L117-L210 HydrophobicContact CD2-CB 4.24Å; L117-L210 HydrophobicContact CG-CB 4.26Å; L117-T211 HydrophobicContact CB-CG2 3.95Å; L117-T211 HydrophobicContact CD2-CG2 3.9Å; L117-T211 HydrophobicContact CG-CG2 3.68Å; L117-V214 HydrophobicContact CD2-CG2 3.71Å
118	E	98.4	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-48.1	178.5	-168	81.1	144.5	0	0	110.1	I114 A115 I120 N121 N122 A129 P182 F183 T211	I114-E118 PolarHBondContact O-N 2.93Å; A115-E118 WeakPolarHBondContact O-CB 3.35Å; A115-E118 PolarHBondContact O-N 2.66Å; E118-I120 PolarHBondContact O-N 2.91Å; E118-N121 PolarHBondContact O-N 2.88Å; E118-N122 WeakPolarHBondContact O-CB 3.42Å; E118-N122 PolarHBondContact O-N 2.95Å; E118-A129 HydrophobicContact CB-CB 4.41Å; E118-P182 WeakPolarHBondContact OE1-CD 3.09Å; E118-F183 WeakPolarHBondContact OE1-CB 3.38Å; E118-F183 PolarHBondContact OE1-N 3.01Å; E118-T211 HydrophobicContact CB-CG2 4.13Å; E118-T211 VanDerWaalsContact OE2-CB 3.3Å; E118-T211 WeakPolarHBondContact OE2-CB 3.36Å; E118-T211 WeakPolarHBondContact OE2-CG2 3.3Å; E118-T211 PolarHBondContact OE2-OG1 3Å
119	V	98.6	Very high	98.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-48.8	176.8	170.9	0	0	0	0	111.8	A115 K116 L117 N121 G123 K124 I126 A129 P343 L344	A115-V119 VanDerWaalsContact O-CG2 3.27Å; A115-V119 WeakPolarHBondContact O-CG2 3.41Å; A115-V119 PolarHBondContact O-N 3.3Å; K116-V119 PolarHBondContact O-N 3.47Å; L117-V119 VanDerWaalsContact C-N 3.35Å; L117-V119 PolarHBondContact O-N 3.05Å; V119-N121 VanDerWaalsContact C-N 3.33Å; V119-N121 PolarHBondContact O-N 3.4Å; V119-G123 VanDerWaalsContact O-CA 3.29Å; V119-G123 WeakPolarHBondContact O-CA 3.39Å; V119-G123 PolarHBondContact O-N 2.73Å; V119-K124 VanDerWaalsContact CG1-O 3.3Å; V119-K124 WeakPolarHBondContact CG1-O 3.3Å; V119-K124 WeakPolarHBondContact CG2-O 3.49Å; V119-I126 HydrophobicContact CG2-CB 4.08Å; V119-I126 HydrophobicContact CG2-CD1 3.93Å; V119-A129 HydrophobicContact CG2-CB 3.55Å; V119-P343 HydrophobicContact CG1-CB 3.68Å; V119-P343 HydrophobicContact CG1-CG 3.67Å; V119-L344 HydrophobicContact CB-CD2 3.8Å; V119-L344 HydrophobicContact CG1-CD2 3.48Å; V119-L344 VanDerWaalsContact CG1-CD2 3.48Å; V119-L344 HydrophobicContact CG1-CG 3.78Å; V119-L344 HydrophobicContact CG2-CD2 4.27Å
120	I	98.4	Very high	98.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-40.7	-177.2	-68.6	166.1	0	0	0	111	A24 L29 E56 P57 L63 K116 L117 E118 L344	A24-I120 HydrophobicContact CB-CD1 4.1Å; L29-I120 HydrophobicContact CB-CD1 4.36Å; L29-I120 HydrophobicContact CB-CG2 4.11Å; L29-I120 HydrophobicContact CD2-CB 4.4Å; L29-I120 HydrophobicContact CD2-CD1 4.18Å; L29-I120 HydrophobicContact CD2-CG2 3.75Å; E56-I120 HydrophobicContact CG-CG2 4.29Å; P57-I120 WeakPolarHBondContact CD-O 3.37Å; L63-I120 HydrophobicContact CD1-CG2 4.15Å; L63-I120 HydrophobicContact CD2-CG2 3.79Å; K116-I120 HydrophobicContact CG-CD1 4.31Å; K116-I120 WeakPolarHBondContact O-CG1 3.45Å; K116-I120 PolarHBondContact O-N 2.87Å; K116-I120 VanDerWaalsContact O-N 3.12Å; L117-I120 PolarHBondContact O-N 3.15Å; E118-I120 PolarHBondContact O-N 2.91Å; I120-L344 HydrophobicContact CD1-CD1 4.47Å; I120-L344 HydrophobicContact CG1-CD1 4.23Å
121	N	98.2	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-81.8	-36	-178	-166.2	-172.8	0	0	0	113.5	P57 L63 L117 E118 V119 M207 T208 P209 L210	P57-N121 WeakPolarHBondContact CD-O 3.24Å; L63-N121 HydrophobicContact CD1-CB 4.39Å; L117-N121 PolarHBondContact O-N 2.83Å; E118-N121 PolarHBondContact O-N 2.88Å; V119-N121 VanDerWaalsContact C-N 3.33Å; V119-N121 PolarHBondContact O-N 3.4Å; N121-M207 PolarHBondContact ND2-O 3.46Å; N121-T208 VanDerWaalsContact OD1-C 3.31Å; N121-T208 VanDerWaalsContact OD1-CA 3.22Å; N121-T208 WeakPolarHBondContact OD1-CA 3.49Å; N121-P209 WeakPolarHBondContact OD1-CD 3.49Å; N121-L210 HydrophobicContact CB-CD1 4.07Å; N121-L210 WeakPolarHBondContact OD1-CB 3.26Å; N121-L210 VanDerWaalsContact OD1-CG 3.3Å; N121-L210 WeakPolarHBondContact OD1-CG 3.44Å; N121-L210 PolarHBondContact OD1-N 3.49Å
122	N	98.4	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-98.3	-30.4	-172.5	169.3	-87	0	0	0	113.8	E118 K124 F179 N180 T208	E118-N122 WeakPolarHBondContact O-CB 3.42Å; E118-N122 PolarHBondContact O-N 2.95Å; N122-K124 VanDerWaalsContact OD1-CB 3.24Å; N122-K124 WeakPolarHBondContact OD1-CB 3.45Å; N122-K124 WeakPolarHBondContact OD1-CE 3.38Å; N122-K124 VanDerWaalsContact OD1-CG 3.32Å; N122-K124 WeakPolarHBondContact OD1-CG 3.07Å; N122-K124 PolarHBondContact OD1-N 2.98Å; N122-K124 VanDerWaalsContact OD1-N 3.11Å; N122-F179 PolarHBondContact ND2-O 3.35Å; N122-N180 PolarHBondContact ND2-O 3.45Å; N122-T208 HydrophobicContact CB-CG2 4.34Å
123	G	98.2	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.			trans	87.5	-2.4	-180	0	0	0	0	0	115.9	V119 Q307 G351	V119-G123 VanDerWaalsContact O-CA 3.29Å; V119-G123 WeakPolarHBondContact O-CA 3.39Å; V119-G123 PolarHBondContact O-N 2.73Å; G123-Q307 PolarHBondContact O-NE2 3.23Å; G123-G351 WeakPolarHBondContact O-CA 3.45Å
124	K	98.7	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.			trans	-65.8	158	170	69.4	177.4	68.2	-150.7	0	112.3	V119 N122 E128 A129 D132 N180 T306 P343	V119-K124 VanDerWaalsContact CG1-O 3.3Å; V119-K124 WeakPolarHBondContact CG1-O 3.3Å; V119-K124 WeakPolarHBondContact CG2-O 3.49Å; N122-K124 VanDerWaalsContact OD1-CB 3.24Å; N122-K124 WeakPolarHBondContact OD1-CB 3.45Å; N122-K124 WeakPolarHBondContact OD1-CE 3.38Å; N122-K124 VanDerWaalsContact OD1-CG 3.32Å; N122-K124 WeakPolarHBondContact OD1-CG 3.07Å; N122-K124 PolarHBondContact OD1-N 2.98Å; N122-K124 VanDerWaalsContact OD1-N 3.11Å; K124-E128 HydrophobicContact CD-CB 4.41Å; K124-A129 HydrophobicContact CD-CB 4.01Å; K124-A129 HydrophobicContact CG-CB 4.15Å; K124-D132 VanDerWaalsContact CD-OD2 3.24Å; K124-D132 WeakPolarHBondContact CD-OD2 3.38Å; K124-D132 VanDerWaalsContact CE-OD2 3.23Å; K124-D132 WeakPolarHBondContact CE-OD2 3.39Å; K124-D132 IonicContact NZ-OD1 3.78Å; K124-D132 IonicContact NZ-OD2 3.05Å; K124-D132 PolarHBondContact NZ-OD2 2.93Å; K124-N180 VanDerWaalsContact CE-O 3.25Å; K124-N180 WeakPolarHBondContact CE-O 3.31Å; K124-N180 PolarHBondContact NZ-O 3.49Å; K124-T306 HydrophobicContact CB-CG2 4.29Å; K124-T306 PolarHBondContact NZ-OG1 3.39Å; K124-P343 VanDerWaalsContact O-CB 3.3Å; K124-P343 WeakPolarHBondContact O-CB 3.44Å
125	C	98.6	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.			trans	-68.6	148.6	178.4	-62.5	0	0	0	0	112.8	T127 E128 A129 P343 R349 M350	C125-T127 PolarHBondContact O-N 3.4Å; C125-E128 PolarHBondContact O-N 3.17Å; C125-A129 PolarHBondContact O-N 3.4Å; C125-P343 CarbonylContact C-O 3.55Å; C125-P343 WeakPolarHBondContact CA-O 3.47Å; C125-R349 VanDerWaalsContact SG-C 3.54Å; C125-M350 PolarHBondContact SG-N 3.17Å; C125-M350 VanDerWaalsContact SG-N 3.43Å
126	I	98.5	Very high	98.3	Very high	19 Å²	19	15.6 Å²	15.6	10%	0.097	9%	0.086	C	C	.	.	H	α-helix	trans	-57.6	-35.9	178.8	-172.8	60.1	0	0	0	112.6	A115 V119 E128 A129 L130 P343	A115-I126 HydrophobicContact CB-CD1 3.85Å; V119-I126 HydrophobicContact CG2-CB 4.08Å; V119-I126 HydrophobicContact CG2-CD1 3.93Å; I126-E128 VanDerWaalsContact C-N 3.25Å; I126-E128 PolarHBondContact O-N 3.38Å; I126-A129 PolarHBondContact O-N 3.47Å; I126-L130 HydrophobicContact CD1-CD1 4.47Å; I126-L130 HydrophobicContact CD1-CD2 4.34Å; I126-L130 HydrophobicContact CD1-CG 4.06Å; I126-L130 HydrophobicContact CG1-CD1 4.05Å; I126-L130 HydrophobicContact CG1-CG 4.15Å; I126-L130 WeakPolarHBondContact O-CB 3.35Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3Å; I126-P343 PolarHBondContact N-O 3.5Å
127	T	98.1	Very high	98.4	Very high	52 Å²	52	15.4 Å²	15.4	32%	0.319	8%	0.084	S	C	.	.	H	α-helix	trans	-60.1	-35	176.1	51.2	0	0	0	0	112.7	C125	C125-T127 PolarHBondContact O-N 3.4Å
128	E	98.3	Very high	98.4	Very high	21 Å²	21	19.2 Å²	19.2	10%	0.098	10%	0.102	C	C	.	.	H	α-helix	trans	-80	-46.1	174.9	-64.2	-177.3	-136.5	0	0	111.3	K124 C125 I126 L130 V131 D132 L305 T306	K124-E128 HydrophobicContact CD-CB 4.41Å; C125-E128 PolarHBondContact O-N 3.17Å; I126-E128 VanDerWaalsContact C-N 3.25Å; I126-E128 PolarHBondContact O-N 3.38Å; E128-L130 PolarHBondContact O-N 3.3Å; E128-V131 WeakPolarHBondContact O-CA 3.31Å; E128-V131 WeakPolarHBondContact O-CB 3.21Å; E128-V131 PolarHBondContact O-N 3.32Å; E128-D132 PolarHBondContact O-N 2.99Å; E128-L305 HydrophobicContact CG-CD2 4.09Å; E128-T306 PolarHBondContact OE1-N 3.27Å; E128-T306 WeakPolarHBondContact OE2-CA 3.39Å; E128-T306 WeakPolarHBondContact OE2-CB 3.31Å; E128-T306 PolarHBondContact OE2-N 3.06Å; E128-T306 PolarHBondContact OE2-OG1 3.12Å
129	A	98.6	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-33.8	-178.9	0	0	0	0	0	113.1	A115 E118 V119 K124 C125 I126 V131 D132 V133	A115-A129 HydrophobicContact CB-CB 4Å; E118-A129 HydrophobicContact CB-CB 4.41Å; V119-A129 HydrophobicContact CG2-CB 3.55Å; K124-A129 HydrophobicContact CD-CB 4.01Å; K124-A129 HydrophobicContact CG-CB 4.15Å; C125-A129 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 3.47Å; A129-V131 VanDerWaalsContact C-N 3.3Å; A129-V131 PolarHBondContact O-N 2.97Å; A129-D132 WeakPolarHBondContact O-CB 3.41Å; A129-D132 PolarHBondContact O-N 3.03Å; A129-V133 WeakPolarHBondContact O-CG2 3.32Å; A129-V133 PolarHBondContact O-N 3.34Å; A129-V133 VanDerWaalsContact O-N 3.11Å
130	L	98.5	Very high	98.4	Very high	34 Å²	34	19.1 Å²	19.1	18%	0.178	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-35.9	174	-73.6	172	0	0	0	112.1	R111 E112 A115 I126 E128 D134	R111-L130 HydrophobicContact CG-CD2 4.28Å; R111-L130 PolarHBondContact NH2-O 2.85Å; E112-L130 HydrophobicContact CG-CD2 4.33Å; A115-L130 HydrophobicContact CB-CD2 3.52Å; A115-L130 HydrophobicContact CB-CG 3.98Å; I126-L130 HydrophobicContact CD1-CD1 4.47Å; I126-L130 HydrophobicContact CD1-CD2 4.34Å; I126-L130 HydrophobicContact CD1-CG 4.06Å; I126-L130 HydrophobicContact CG1-CD1 4.05Å; I126-L130 HydrophobicContact CG1-CG 4.15Å; I126-L130 WeakPolarHBondContact O-CB 3.35Å; I126-L130 WeakPolarHBondContact O-CG 3.46Å; I126-L130 PolarHBondContact O-N 3Å; E128-L130 PolarHBondContact O-N 3.3Å; L130-D134 PolarHBondContact O-N 3.33Å; L130-D134 VanDerWaalsContact O-N 3.16Å
131	V	98	Very high	98.5	Very high	80 Å²	80	22.3 Å²	22.3	49%	0.485	12%	0.116	S	C	.	.	H	α-helix	trans	-71.1	-40	174	178.3	0	0	0	0	110.8	E128 A129 V133 D134 V135	E128-V131 WeakPolarHBondContact O-CA 3.31Å; E128-V131 WeakPolarHBondContact O-CB 3.21Å; E128-V131 PolarHBondContact O-N 3.32Å; A129-V131 VanDerWaalsContact C-N 3.3Å; A129-V131 PolarHBondContact O-N 2.97Å; V131-V133 VanDerWaalsContact C-N 3.28Å; V131-V133 PolarHBondContact O-N 2.97Å; V131-D134 WeakPolarHBondContact O-CA 3.23Å; V131-D134 WeakPolarHBondContact O-CB 3.38Å; V131-D134 PolarHBondContact O-N 3.42Å; V131-V135 HydrophobicContact CG1-CG2 4.3Å; V131-V135 WeakPolarHBondContact O-CG2 3.36Å; V131-V135 PolarHBondContact O-N 2.92Å
132	D	98.1	Very high	98.5	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-42.9	176.7	-65.1	-4.9	0	0	0	111.8	K124 E128 A129 D134 A136 Y181 Q184	K124-D132 VanDerWaalsContact CD-OD2 3.24Å; K124-D132 WeakPolarHBondContact CD-OD2 3.38Å; K124-D132 VanDerWaalsContact CE-OD2 3.23Å; K124-D132 WeakPolarHBondContact CE-OD2 3.39Å; K124-D132 IonicContact NZ-OD1 3.78Å; K124-D132 IonicContact NZ-OD2 3.05Å; K124-D132 PolarHBondContact NZ-OD2 2.93Å; E128-D132 PolarHBondContact O-N 2.99Å; A129-D132 WeakPolarHBondContact O-CB 3.41Å; A129-D132 PolarHBondContact O-N 3.03Å; D132-D134 VanDerWaalsContact C-N 3.31Å; D132-A136 WeakPolarHBondContact O-CB 3.28Å; D132-A136 PolarHBondContact O-N 3.49Å; D132-Y181 WeakPolarHBondContact OD1-CD1 3.39Å; D132-Y181 VanDerWaalsContact OD1-CE1 3.3Å; D132-Y181 WeakPolarHBondContact OD1-CE1 3.43Å; D132-Y181 WeakPolarHBondContact OD2-CD1 3.18Å; D132-Q184 HydrophobicContact CB-CB 4.5Å
133	V	98.6	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-68.5	-33.7	176.6	-178	0	0	0	0	111.2	I107 R111 I114 A115 A129 V131 A136 W137 F183	I107-V133 HydrophobicContact CG2-CG1 3.67Å; R111-V133 HydrophobicContact CB-CG1 4.24Å; R111-V133 HydrophobicContact CG-CB 4.32Å; R111-V133 HydrophobicContact CG-CG1 4.04Å; I114-V133 HydrophobicContact CB-CG1 4.35Å; I114-V133 HydrophobicContact CB-CG2 3.99Å; I114-V133 HydrophobicContact CD1-CG1 4.35Å; I114-V133 HydrophobicContact CG2-CG1 4.38Å; I114-V133 HydrophobicContact CG2-CG2 3.6Å; A115-V133 HydrophobicContact CB-CG2 4.08Å; A129-V133 WeakPolarHBondContact O-CG2 3.32Å; A129-V133 PolarHBondContact O-N 3.34Å; A129-V133 VanDerWaalsContact O-N 3.11Å; V131-V133 VanDerWaalsContact C-N 3.28Å; V131-V133 PolarHBondContact O-N 2.97Å; V133-A136 WeakPolarHBondContact O-CB 3.16Å; V133-A136 PolarHBondContact O-N 3.31Å; V133-W137 PolarHBondContact O-N 3.33Å; V133-W137 VanDerWaalsContact O-N 3.14Å; V133-F183 HydrophobicContact CG1-CE1 4.26Å; V133-F183 HydrophobicContact CG2-CD1 4.18Å; V133-F183 HydrophobicContact CG2-CE1 4.48Å
134	D	98.6	Very high	98.5	Very high	37 Å²	37	24.8 Å²	24.8	20%	0.198	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-48.4	174.6	-74.5	-28.7	0	0	0	113	R111 L130 V131 D132 A136 W137 Q138	R111-D134 VanDerWaalsContact CD-OD1 3.3Å; R111-D134 WeakPolarHBondContact CD-OD1 3.46Å; R111-D134 IonicContact CZ-OD1 3.28Å; R111-D134 IonicContact CZ-OD2 3.3Å; R111-D134 VanDerWaalsContact CZ-OD2 3.28Å; R111-D134 IonicContact NE-OD1 3.45Å; R111-D134 PolarHBondContact NE-OD1 2.9Å; R111-D134 IonicContact NE-OD2 3.49Å; R111-D134 PolarHBondContact NE-OD2 2.8Å; R111-D134 IonicContact NH2-OD1 2.72Å; R111-D134 IonicContact NH2-OD2 3.99Å; R111-D134 PolarHBondContact NH2-OD2 3.36Å; L130-D134 PolarHBondContact O-N 3.33Å; L130-D134 VanDerWaalsContact O-N 3.16Å; V131-D134 WeakPolarHBondContact O-CA 3.23Å; V131-D134 WeakPolarHBondContact O-CB 3.38Å; V131-D134 PolarHBondContact O-N 3.42Å; D132-D134 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 2.94Å; D134-W137 VanDerWaalsContact CA-CD1 3.45Å; D134-W137 VanDerWaalsContact CA-NE1 3.31Å; D134-W137 PolarHBondContact O-N 3.32Å; D134-W137 PolarHBondContact O-NE1 3.29Å; D134-W137 PolarHBondContact OD1-NE1 3.22Å; D134-Q138 WeakPolarHBondContact O-CB 3.45Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.46Å; D134-Q138 PolarHBondContact O-N 3.03Å
135	V	98.1	Very high	98.5	Very high	25 Å²	25	27.2 Å²	27.2	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-37.6	175.4	174.4	0	0	0	0	110.5	V131 Q138 T139 Q184	V131-V135 HydrophobicContact CG1-CG2 4.3Å; V131-V135 WeakPolarHBondContact O-CG2 3.36Å; V131-V135 PolarHBondContact O-N 2.92Å; V135-Q138 PolarHBondContact O-N 2.92Å; V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.26Å; V135-T139 PolarHBondContact O-N 3.1Å; V135-T139 PolarHBondContact O-OG1 2.82Å; V135-Q184 HydrophobicContact CG1-CG 4.11Å
136	A	98.6	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-51.5	178.5	0	0	0	0	0	112.6	D132 V133 D134 Q138 T139 M140 F183 V187	D132-A136 WeakPolarHBondContact O-CB 3.28Å; D132-A136 PolarHBondContact O-N 3.49Å; V133-A136 WeakPolarHBondContact O-CB 3.16Å; V133-A136 PolarHBondContact O-N 3.31Å; D134-A136 PolarHBondContact O-N 2.94Å; A136-Q138 VanDerWaalsContact C-N 3.33Å; A136-Q138 PolarHBondContact O-N 3.17Å; A136-T139 PolarHBondContact O-N 2.87Å; A136-M140 PolarHBondContact O-N 3.32Å; A136-F183 HydrophobicContact CB-CD1 3.75Å; A136-F183 HydrophobicContact CB-CE1 3.59Å; A136-V187 HydrophobicContact CB-CB 4.13Å; A136-V187 HydrophobicContact CB-CG1 4.39Å; A136-V187 HydrophobicContact CB-CG2 4.01Å; A136-V187 VanDerWaalsContact O-CG1 3.25Å; A136-V187 WeakPolarHBondContact O-CG1 3.44Å
137	W	98.7	Very high	98.5	Very high	40 Å²	40	27.2 Å²	27.2	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-33.8	179	71.1	-107.6	0	0	0	112.4	I107 R108 V133 D134 T139 M140 E141	I107-W137 HydrophobicContact CB-CB 3.86Å; I107-W137 HydrophobicContact CD1-CB 4.47Å; I107-W137 HydrophobicContact CG2-CB 3.74Å; R108-W137 HydrophobicContact CG-CB 3.97Å; R108-W137 VanDerWaalsContact CG-CD1 3.47Å; R108-W137 HydrophobicContact CG-CD2 3.36Å; R108-W137 HydrophobicContact CG-CE3 3.95Å; R108-W137 HydrophobicContact CG-CG 3.34Å; R108-W137 HydrophobicContact CG-CZ2 4.34Å; V133-W137 PolarHBondContact O-N 3.33Å; V133-W137 VanDerWaalsContact O-N 3.14Å; D134-W137 VanDerWaalsContact CA-CD1 3.45Å; D134-W137 VanDerWaalsContact CA-NE1 3.31Å; D134-W137 PolarHBondContact O-N 3.32Å; D134-W137 PolarHBondContact O-NE1 3.29Å; D134-W137 PolarHBondContact OD1-NE1 3.22Å; W137-T139 VanDerWaalsContact C-N 3.32Å; W137-M140 WeakPolarHBondContact O-CB 3.34Å; W137-M140 PolarHBondContact O-N 3.49Å; W137-E141 WeakPolarHBondContact O-CB 3.15Å; W137-E141 PolarHBondContact O-N 2.89Å
138	Q	98.8	Very high	98.5	Very high	81 Å²	81	26.7 Å²	26.7	38%	0.379	16%	0.156	S	C	.	.	H	α-helix	trans	-63.8	-39.9	173.9	-72.8	173	-4.5	0	0	111.2	D134 V135 A136 M140 E141 F142	D134-Q138 WeakPolarHBondContact O-CB 3.45Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.46Å; D134-Q138 PolarHBondContact O-N 3.03Å; V135-Q138 PolarHBondContact O-N 2.92Å; A136-Q138 VanDerWaalsContact C-N 3.33Å; A136-Q138 PolarHBondContact O-N 3.17Å; Q138-M140 VanDerWaalsContact C-N 3.35Å; Q138-E141 PolarHBondContact O-N 2.75Å; Q138-F142 WeakPolarHBondContact O-CB 3.24Å; Q138-F142 PolarHBondContact O-N 2.75Å
139	T	98.8	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-43.3	175.4	-58.5	0	0	0	0	111.6	V135 A136 W137 Y143 V187 A191 V476	V135-T139 VanDerWaalsContact O-CB 3.28Å; V135-T139 WeakPolarHBondContact O-CB 3.26Å; V135-T139 PolarHBondContact O-N 3.1Å; V135-T139 PolarHBondContact O-OG1 2.82Å; A136-T139 PolarHBondContact O-N 2.87Å; W137-T139 VanDerWaalsContact C-N 3.32Å; T139-Y143 HydrophobicContact CG2-CD2 3.9Å; T139-Y143 HydrophobicContact CG2-CE2 3.88Å; T139-Y143 VanDerWaalsContact O-CD2 3.31Å; T139-Y143 WeakPolarHBondContact O-CD2 3.11Å; T139-Y143 PolarHBondContact O-N 3.22Å; T139-V187 HydrophobicContact CG2-CG1 4.41Å; T139-A191 HydrophobicContact CG2-CB 4.21Å; T139-V476 HydrophobicContact CG2-CG2 4.2Å
140	M	98.7	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-47.9	174.3	-168.8	57.7	64.6	0	0	111.9	M100 A103 A104 A136 W137 Q138 Y143 A144 V187 A191 M215 Y219	M100-M140 HydrophobicContact CB-CG 4.45Å; M100-M140 HydrophobicContact CB-SD 4.04Å; M100-M140 HydrophobicContact CE-SD 3.62Å; M100-M140 HydrophobicContact CG-SD 4.26Å; M100-M140 VanDerWaalsContact O-CG 3.24Å; M100-M140 WeakPolarHBondContact O-CG 3.35Å; A103-M140 HydrophobicContact CB-CG 4.34Å; A104-M140 HydrophobicContact CB-CB 3.93Å; A104-M140 HydrophobicContact CB-CG 3.91Å; A136-M140 PolarHBondContact O-N 3.32Å; W137-M140 WeakPolarHBondContact O-CB 3.34Å; W137-M140 PolarHBondContact O-N 3.49Å; Q138-M140 VanDerWaalsContact C-N 3.35Å; M140-Y143 PolarHBondContact O-N 3.38Å; M140-A144 VanDerWaalsContact O-CB 3.3Å; M140-A144 WeakPolarHBondContact O-CB 3.4Å; M140-A144 PolarHBondContact O-N 2.95Å; M140-V187 HydrophobicContact CB-CG1 4.43Å; M140-V187 HydrophobicContact CE-CG1 3.75Å; M140-A191 HydrophobicContact CE-CB 4.1Å; M140-A191 HydrophobicContact SD-CB 4.08Å; M140-M215 HydrophobicContact CE-CE 3.92Å; M140-Y219 HydrophobicContact CE-CE1 3.52Å; M140-Y219 WeakPolarHBondContact CE-OH 3.37Å; M140-Y219 HydrophobicContact SD-CE1 4.12Å
141	E	98.8	Very high	98.5	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-41.1	-177.6	-171.4	160.9	82.6	0	0	112.2	L101 A104 R108 W137 Q138 A144 G145	L101-E141 HydrophobicContact CD2-CG 3.86Å; A104-E141 HydrophobicContact CB-CB 4.25Å; R108-E141 IonicContact CZ-OE2 2.99Å; R108-E141 IonicContact NH1-OE1 3.98Å; R108-E141 PolarHBondContact NH1-OE1 3.41Å; R108-E141 IonicContact NH1-OE2 2.69Å; R108-E141 PolarHBondContact NH1-OE2 3.38Å; R108-E141 IonicContact NH2-OE2 3.74Å; R108-E141 PolarHBondContact NH2-OE2 2.88Å; W137-E141 WeakPolarHBondContact O-CB 3.15Å; W137-E141 PolarHBondContact O-N 2.89Å; Q138-E141 PolarHBondContact O-N 2.75Å; E141-A144 WeakPolarHBondContact O-CB 3.48Å; E141-A144 PolarHBondContact O-N 3.48Å; E141-G145 PolarHBondContact O-N 3.05Å
142	F	98.9	Very high	98.4	Very high	52 Å²	52	32.3 Å²	32.3	23%	0.228	20%	0.199	C	C	.	.	H	α-helix	trans	-57.7	-52.4	175.6	179.7	-98	0	0	0	111.7	Q138 A144 G145 M146 V476 E477	Q138-F142 WeakPolarHBondContact O-CB 3.24Å; Q138-F142 PolarHBondContact O-N 2.75Å; F142-A144 VanDerWaalsContact C-N 3.35Å; F142-A144 PolarHBondContact O-N 3.36Å; F142-G145 PolarHBondContact O-N 3.37Å; F142-M146 HydrophobicContact CD1-SD 4.05Å; F142-M146 HydrophobicContact CE1-CG 4.36Å; F142-M146 HydrophobicContact CE1-SD 3.36Å; F142-M146 WeakPolarHBondContact CE1-SD 3.38Å; F142-M146 HydrophobicContact CZ-SD 3.73Å; F142-M146 PolarHBondContact O-N 2.99Å; F142-V476 HydrophobicContact CB-CB 4.47Å; F142-V476 HydrophobicContact CB-CG1 3.92Å; F142-V476 HydrophobicContact CB-CG2 3.67Å; F142-V476 HydrophobicContact CD1-CG2 3.69Å; F142-V476 HydrophobicContact CD2-CG1 3.91Å; F142-V476 HydrophobicContact CD2-CG2 4.38Å; F142-V476 HydrophobicContact CE1-CG2 4.43Å; F142-V476 HydrophobicContact CG-CB 4.44Å; F142-V476 HydrophobicContact CG-CG1 3.93Å; F142-V476 HydrophobicContact CG-CG2 3.66Å; F142-E477 HydrophobicContact CD2-CG 4.47Å; F142-E477 HydrophobicContact CE2-CB 4.47Å; F142-E477 HydrophobicContact CE2-CG 4.05Å
143	Y	98.9	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.5	-27.5	179.9	-75.1	-64.8	0	0	0	113.3	T139 M140 M146 A147 A191 P192 A195 N492 G493 T496 I497	T139-Y143 HydrophobicContact CG2-CD2 3.9Å; T139-Y143 HydrophobicContact CG2-CE2 3.88Å; T139-Y143 VanDerWaalsContact O-CD2 3.31Å; T139-Y143 WeakPolarHBondContact O-CD2 3.11Å; T139-Y143 PolarHBondContact O-N 3.22Å; M140-Y143 PolarHBondContact O-N 3.38Å; Y143-M146 HydrophobicContact CD1-SD 4.14Å; Y143-M146 HydrophobicContact CE1-SD 4.26Å; Y143-M146 PolarHBondContact O-N 3.26Å; Y143-A147 PolarHBondContact O-N 2.79Å; Y143-A191 HydrophobicContact CD2-CB 3.76Å; Y143-A191 HydrophobicContact CG-CB 4.34Å; Y143-P192 HydrophobicContact CD1-CB 3.96Å; Y143-P192 HydrophobicContact CD2-CB 4.28Å; Y143-P192 HydrophobicContact CD2-CG 4.45Å; Y143-P192 HydrophobicContact CE1-CB 3.72Å; Y143-P192 HydrophobicContact CE2-CB 4.04Å; Y143-P192 HydrophobicContact CE2-CG 4.05Å; Y143-P192 HydrophobicContact CG-CB 4.23Å; Y143-A195 WeakPolarHBondContact O-CB 3.47Å; Y143-N492 VanDerWaalsContact OH-C 3.26Å; Y143-N492 WeakPolarHBondContact OH-CA 3.46Å; Y143-N492 PolarHBondContact OH-N 3.13Å; Y143-G493 PolarHBondContact OH-O 2.85Å; Y143-T496 WeakPolarHBondContact OH-CB 3.47Å; Y143-T496 WeakPolarHBondContact OH-CG2 3.13Å; Y143-I497 HydrophobicContact CD1-CD1 3.94Å; Y143-I497 HydrophobicContact CE1-CD1 4.02Å
144	A	98.8	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-45.2	169.1	0	0	0	0	0	111.1	A97 M100 L101 M140 E141 F142 M146 A147	A97-A144 WeakPolarHBondContact CB-O 3.33Å; M100-A144 HydrophobicContact CB-CB 3.59Å; M100-A144 HydrophobicContact CE-CB 4.49Å; L101-A144 HydrophobicContact CD2-CB 3.9Å; L101-A144 HydrophobicContact CG-CB 3.85Å; M140-A144 VanDerWaalsContact O-CB 3.3Å; M140-A144 WeakPolarHBondContact O-CB 3.4Å; M140-A144 PolarHBondContact O-N 2.95Å; E141-A144 WeakPolarHBondContact O-CB 3.48Å; E141-A144 PolarHBondContact O-N 3.48Å; F142-A144 VanDerWaalsContact C-N 3.35Å; F142-A144 PolarHBondContact O-N 3.36Å; A144-M146 VanDerWaalsContact C-N 3.27Å; A144-M146 PolarHBondContact O-N 2.84Å; A144-A147 WeakPolarHBondContact O-CB 3.29Å; A144-A147 PolarHBondContact O-N 2.82Å
145	G	98.4	Very high	98.5	Very high	51 Å²	51	45.3 Å²	45.3	53%	0.526	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-35.5	174.6	0	0	0	0	0	113	E141 F142	E141-G145 PolarHBondContact O-N 3.05Å; F142-G145 PolarHBondContact O-N 3.37Å
146	M	98.3	Very high	98.5	Very high	19 Å²	19	52.2 Å²	52.2	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-76.2	-23.3	176.1	-72.4	-169.7	60.6	0	0	114.7	F142 Y143 A144 G148 T149 Q494 I497	F142-M146 HydrophobicContact CD1-SD 4.05Å; F142-M146 HydrophobicContact CE1-CG 4.36Å; F142-M146 HydrophobicContact CE1-SD 3.36Å; F142-M146 WeakPolarHBondContact CE1-SD 3.38Å; F142-M146 HydrophobicContact CZ-SD 3.73Å; F142-M146 PolarHBondContact O-N 2.99Å; Y143-M146 HydrophobicContact CD1-SD 4.14Å; Y143-M146 HydrophobicContact CE1-SD 4.26Å; Y143-M146 PolarHBondContact O-N 3.26Å; A144-M146 VanDerWaalsContact C-N 3.27Å; A144-M146 PolarHBondContact O-N 2.84Å; M146-G148 PolarHBondContact O-N 3.43Å; M146-G148 VanDerWaalsContact O-N 3.1Å; M146-T149 PolarHBondContact O-N 3.04Å; M146-T149 PolarHBondContact O-OG1 3.42Å; M146-Q494 HydrophobicContact CE-CB 4.01Å; M146-Q494 HydrophobicContact CE-CG 3.71Å; M146-I497 HydrophobicContact CE-CD1 3.94Å; M146-I497 HydrophobicContact CE-CG1 3.32Å; M146-I497 HydrophobicContact SD-CG1 4.49Å
147	A	98.7	Very high	98.5	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-58.3	-34	-169.9	0	0	0	0	0	113.2	G93 A97 Y143 A144 L150 A195	G93-A147 WeakPolarHBondContact CA-O 3.12Å; G93-A147 WeakPolarHBondContact O-CB 3.27Å; A97-A147 HydrophobicContact CB-CB 4.23Å; Y143-A147 PolarHBondContact O-N 2.79Å; A144-A147 WeakPolarHBondContact O-CB 3.29Å; A144-A147 PolarHBondContact O-N 2.82Å; A147-L150 WeakPolarHBondContact O-CG 3.3Å; A147-A195 HydrophobicContact CB-CB 4.08Å
148	G	97.4	Very high	98.4	Very high	40 Å²	40	59.2 Å²	59.2	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.3	175.6	0	0	0	0	0	116.1	M146	M146-G148 PolarHBondContact O-N 3.43Å; M146-G148 VanDerWaalsContact O-N 3.1Å
149	T	98.3	Very high	98.2	Very high	85 Å²	85	59.5 Å²	59.5	52%	0.521	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.1	176.9	72.8	0	0	0	0	112.3	M146 T151	M146-T149 PolarHBondContact O-N 3.04Å; M146-T149 PolarHBondContact O-OG1 3.42Å; T149-T151 PolarHBondContact O-N 3.09Å; T149-T151 PolarHBondContact O-OG1 3.23Å
150	L	98.1	Very high	98	Very high	39 Å²	39	62.1 Å²	62.1	20%	0.204	39%	0.389	C	S	.	.			trans	-65.2	113.8	-178.1	-59.7	-173	0	0	0	111.7	A147 A195 I497	A147-L150 WeakPolarHBondContact O-CG 3.3Å; L150-A195 WeakPolarHBondContact CD1-O 3.41Å; L150-I497 HydrophobicContact CD2-CB 4.39Å; L150-I497 HydrophobicContact CD2-CD1 4.08Å; L150-I497 HydrophobicContact CD2-CG1 4.05Å; L150-I497 HydrophobicContact CD2-CG2 3.45Å; L150-I497 VanDerWaalsContact CD2-CG2 3.45Å
151	T	98.2	Very high	98	Very high	99 Å²	99	62.7 Å²	62.7	61%	0.607	39%	0.393	S	S	*	.			trans	-141.1	168.9	-175.6	52.1	0	0	0	0	111.3	T149 R167	T149-T151 PolarHBondContact O-N 3.09Å; T149-T151 PolarHBondContact O-OG1 3.23Å; T151-R167 PolarHBondContact O-NE 2.92Å; T151-R167 VanDerWaalsContact O-NE 3.16Å
152	G	97.9	Very high	97.9	Very high	31 Å²	31	61.9 Å²	61.9	32%	0.32	39%	0.389	S	S	.	.			trans	-109.8	-153	163.6	0	0	0	0	0	111.2	T165	G152-T165 WeakPolarHBondContact CA-O 3.31Å; G152-T165 WeakPolarHBondContact CA-OG1 3.21Å
153	Q	98.6	Very high	97.9	Very high	128 Å²	128	59.7 Å²	59.7	60%	0.598	38%	0.38	S	S	*	.			trans	-126.5	160	-174.4	-63.3	177.5	-67.2	0	0	111.1	Y164 T165	Q153-Y164 CarbonylContact O-C 3.42Å; Q153-Y164 WeakPolarHBondContact O-CA 3.35Å; Q153-Y164 WeakPolarHBondContact O-CB 3.11Å; Q153-T165 PolarHBondContact N-OG1 2.9Å; Q153-T165 PolarHBondContact O-N 3.22Å
154	H	98.8	Very high	97.9	Very high	120 Å²	120	63.7 Å²	63.7	56%	0.556	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.7	165.8	174	-78.3	0	0	0	108.7	F162	H154-F162 AromaticContact CD2-CD2 3.9Å; H154-F162 AromaticContact NE2-CD2 3.63Å; H154-F162 AromaticContact NE2-CG 3.93Å
155	I	98.8	Very high	97.9	Very high	71 Å²	71	64.4 Å²	64.4	36%	0.364	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.1	-171.6	-54.4	168.5	0	0	0	108.2	L157 F162 A163	I155-L157 HydrophobicContact CG2-CD2 4.17Å; I155-F162 WeakPolarHBondContact O-CA 3.46Å; I155-F162 WeakPolarHBondContact O-CB 3.38Å; I155-A163 HydrophobicContact CB-CB 4.35Å; I155-A163 PolarHBondContact N-O 3.39Å; I155-A163 PolarHBondContact O-N 3.17Å
156	Q	98.4	Very high	97.9	Very high	170 Å²	170	68 Å²	68	79%	0.794	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.9	172.9	-65.4	172.9	14	0	0	109.6
157	L	98.2	Very high	98	Very high	65 Å²	65	70.8 Å²	70.8	34%	0.34	41%	0.407	S	S	.	.			trans	-115.2	162.7	177.4	-58.3	178	0	0	0	110.7	I155 A161 A163 V507	I155-L157 HydrophobicContact CG2-CD2 4.17Å; L157-A161 HydrophobicContact CB-CB 4.22Å; L157-A161 WeakPolarHBondContact CB-O 3.02Å; L157-A161 HydrophobicContact CD1-CB 4.41Å; L157-A161 PolarHBondContact N-O 2.88Å; L157-A163 HydrophobicContact CD1-CB 4.16Å; L157-V507 HydrophobicContact CD1-CG1 4.03Å
158	P	96.9	Very high	98	Very high	122 Å²	122	72.7 Å²	72.7	79%	0.792	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-56.5	153.6	171.5	-23.8	35.1	0	0	0	112	G160	P158-G160 PolarHBondContact O-N 3.32Å
159	G	94	Very high	98	Very high	88 Å²	88	71.5 Å²	71.5	91%	0.907	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	73.7	4	174.1	0	0	0	0	0	115.7
160	G	95.1	Very high	98.1	Very high	55 Å²	55	68.2 Å²	68.2	57%	0.567	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	94.3	-6.3	176.6	0	0	0	0	0	114.8	P158	P158-G160 PolarHBondContact O-N 3.32Å
161	A	97.6	Very high	98.1	Very high	11 Å²	11	66.7 Å²	66.7	9%	0.091	38%	0.375	C	S	.	.			trans	-65.5	162.1	167.7	0	0	0	0	0	111.3	L157	L157-A161 HydrophobicContact CB-CB 4.22Å; L157-A161 WeakPolarHBondContact CB-O 3.02Å; L157-A161 HydrophobicContact CD1-CB 4.41Å; L157-A161 PolarHBondContact N-O 2.88Å
162	F	98.6	Very high	98.1	Very high	52 Å²	52	62 Å²	62	23%	0.228	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.6	171.8	71	-84.3	0	0	0	111.4	H154 I155 Y164 V508 L510	H154-F162 AromaticContact CD2-CD2 3.9Å; H154-F162 AromaticContact NE2-CD2 3.63Å; H154-F162 AromaticContact NE2-CG 3.93Å; I155-F162 WeakPolarHBondContact O-CA 3.46Å; I155-F162 WeakPolarHBondContact O-CB 3.38Å; F162-Y164 HydrophobicContact CD2-CD1 4.31Å; F162-Y164 AromaticContact CE2-CD1 3.77Å; F162-Y164 HydrophobicContact CE2-CD1 3.77Å; F162-Y164 HydrophobicContact CE2-CE1 4.31Å; F162-V508 HydrophobicContact CD1-CB 4.06Å; F162-V508 HydrophobicContact CD1-CG1 4.48Å; F162-V508 HydrophobicContact CE1-CB 3.57Å; F162-V508 HydrophobicContact CE1-CG1 3.67Å; F162-V508 HydrophobicContact CE1-CG2 4.19Å; F162-V508 HydrophobicContact CE2-CB 4.09Å; F162-V508 HydrophobicContact CE2-CG2 3.89Å; F162-V508 HydrophobicContact CZ-CB 3.58Å; F162-V508 HydrophobicContact CZ-CG1 3.85Å; F162-V508 HydrophobicContact CZ-CG2 3.65Å; F162-V508 PolarHBondContact N-O 3.33Å; F162-V508 PolarHBondContact O-N 3.45Å; F162-L510 HydrophobicContact CD1-CD1 4.11Å; F162-L510 HydrophobicContact CD1-CG 4.4Å; F162-L510 HydrophobicContact CE1-CD1 4.08Å; F162-L510 HydrophobicContact CE1-CD2 4.18Å; F162-L510 HydrophobicContact CE1-CG 4.2Å
163	A	98.8	Very high	98.2	Very high	6 Å²	6	60.6 Å²	60.6	5%	0.05	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.7	169.4	0	0	0	0	0	110.6	I155 L157 T505 V506 V507	I155-A163 HydrophobicContact CB-CB 4.35Å; I155-A163 PolarHBondContact N-O 3.39Å; I155-A163 PolarHBondContact O-N 3.17Å; L157-A163 HydrophobicContact CD1-CB 4.16Å; A163-T505 HydrophobicContact CB-CG2 4.47Å; A163-V506 CarbonylContact C-O 3.58Å; A163-V506 WeakPolarHBondContact CA-O 3.41Å; A163-V507 HydrophobicContact CB-CG2 4.21Å
164	Y	98.8	Very high	98.2	Very high	84 Å²	84	54.5 Å²	54.5	33%	0.329	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.3	166.6	66.3	-86.7	0	0	0	110.7	Q153 F162 R166 V506 V508	Q153-Y164 CarbonylContact O-C 3.42Å; Q153-Y164 WeakPolarHBondContact O-CA 3.35Å; Q153-Y164 WeakPolarHBondContact O-CB 3.11Å; F162-Y164 HydrophobicContact CD2-CD1 4.31Å; F162-Y164 AromaticContact CE2-CD1 3.77Å; F162-Y164 HydrophobicContact CE2-CD1 3.77Å; F162-Y164 HydrophobicContact CE2-CE1 4.31Å; Y164-R166 HydrophobicContact CD2-CG 4.08Å; Y164-R166 HydrophobicContact CE2-CG 3.78Å; Y164-V506 HydrophobicContact CD1-CB 4.06Å; Y164-V506 HydrophobicContact CD1-CG1 4.36Å; Y164-V506 HydrophobicContact CD2-CB 4.28Å; Y164-V506 HydrophobicContact CD2-CG2 4.48Å; Y164-V506 HydrophobicContact CE1-CB 3.63Å; Y164-V506 HydrophobicContact CE1-CG1 3.55Å; Y164-V506 HydrophobicContact CE1-CG2 4.45Å; Y164-V506 HydrophobicContact CE2-CB 3.86Å; Y164-V506 HydrophobicContact CE2-CG1 4.4Å; Y164-V506 HydrophobicContact CE2-CG2 3.85Å; Y164-V506 HydrophobicContact CG-CB 4.38Å; Y164-V506 PolarHBondContact N-O 3.27Å; Y164-V506 PolarHBondContact O-N 2.85Å; Y164-V508 HydrophobicContact CD1-CG2 4.29Å; Y164-V508 HydrophobicContact CE1-CG2 3.78Å
165	T	98.9	Very high	98.2	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.092	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.4	174.1	62.4	0	0	0	0	111.3	G152 Q153 K504	G152-T165 WeakPolarHBondContact CA-O 3.31Å; G152-T165 WeakPolarHBondContact CA-OG1 3.21Å; Q153-T165 PolarHBondContact N-OG1 2.9Å; Q153-T165 PolarHBondContact O-N 3.22Å; T165-K504 CarbonylContact C-O 3.5Å; T165-K504 VanDerWaalsContact CA-O 3.25Å; T165-K504 WeakPolarHBondContact CA-O 3.48Å
166	R	98.6	Very high	98.2	Very high	127 Å²	127	45.9 Å²	45.9	48%	0.479	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.3	170.1	-57.2	-179.6	71.9	-146.8	10.3	108.6	Y164 E168 L503 K504	Y164-R166 HydrophobicContact CD2-CG 4.08Å; Y164-R166 HydrophobicContact CE2-CG 3.78Å; R166-E168 HydrophobicContact CB-CG 4.16Å; R166-E168 IonicContact CZ-OE1 3.93Å; R166-E168 IonicContact NE-OE1 2.71Å; R166-E168 IonicContact NH1-OE1 2.78Å; R166-E168 PolarHBondContact NH1-OE1 3.37Å; R166-E168 PolarHBondContact O-N 2.97Å; R166-L503 WeakPolarHBondContact O-CA 3.41Å; R166-K504 HydrophobicContact CB-CB 4.44Å; R166-K504 PolarHBondContact N-O 3.03Å; R166-K504 PolarHBondContact O-N 3.32Å
167	R	98.6	Very high	98.2	Very high	78 Å²	78	38.1 Å²	38.1	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.5	169.8	-173.5	171.7	-64.5	-86	4.2	109.1	T151 S501 Q502 L503	T151-R167 PolarHBondContact O-NE 2.92Å; T151-R167 VanDerWaalsContact O-NE 3.16Å; R167-S501 WeakPolarHBondContact CD-OG 3.44Å; R167-S501 WeakPolarHBondContact CG-OG 3.33Å; R167-S501 PolarHBondContact NH1-OG 3.17Å; R167-Q502 WeakPolarHBondContact CA-O 3.2Å; R167-L503 HydrophobicContact CB-CD2 4.06Å
168	E	98.8	Very high	98.2	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149	-175.6	-62.7	-177.1	170.3	0	0	110.5	R166 S501 Q502 K504	R166-E168 HydrophobicContact CB-CG 4.16Å; R166-E168 IonicContact CZ-OE1 3.93Å; R166-E168 IonicContact NE-OE1 2.71Å; R166-E168 IonicContact NH1-OE1 2.78Å; R166-E168 PolarHBondContact NH1-OE1 3.37Å; R166-E168 PolarHBondContact O-N 2.97Å; E168-S501 CarbonylContact O-C 3.53Å; E168-S501 VanDerWaalsContact O-CA 3.23Å; E168-S501 WeakPolarHBondContact O-CA 3.37Å; E168-S501 WeakPolarHBondContact O-CB 3.26Å; E168-Q502 HydrophobicContact CB-CG 4.35Å; E168-Q502 PolarHBondContact N-O 2.64Å; E168-Q502 PolarHBondContact O-N 3.02Å; E168-K504 IonicContact OE1-NZ 2.69Å; E168-K504 PolarHBondContact OE1-NZ 3.24Å; E168-K504 VanDerWaalsContact OE2-CE 3.27Å; E168-K504 WeakPolarHBondContact OE2-CE 3.44Å; E168-K504 IonicContact OE2-NZ 2.77Å; E168-K504 PolarHBondContact OE2-NZ 2.84Å
169	A	98.8	Very high	98.3	Very high	15 Å²	15	31.3 Å²	31.3	12%	0.124	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	154.3	170.4	0	0	0	0	0	110.7	Y85 C196	Y85-A169 HydrophobicContact CE2-CB 3.88Å; A169-C196 WeakPolarHBondContact CB-O 3.12Å
170	L	98.9	Very high	98.5	Very high	17 Å²	17	27.5 Å²	27.5	9%	0.089	14%	0.144	C	C	.	.			trans	-77.8	-36.4	176.3	-56.7	178.1	0	0	0	112.2	N198 A249 K250 Q502	L170-N198 WeakPolarHBondContact CA-OD1 3.23Å; L170-N198 WeakPolarHBondContact CB-OD1 3.4Å; L170-N198 PolarHBondContact N-OD1 3.4Å; L170-A249 HydrophobicContact CB-CB 3.98Å; L170-A249 VanDerWaalsContact O-CB 3.3Å; L170-A249 WeakPolarHBondContact O-CB 3.4Å; L170-K250 HydrophobicContact CD1-CB 3.93Å; L170-K250 HydrophobicContact CD1-CD 3.78Å; L170-K250 HydrophobicContact CD1-CG 4.35Å; L170-Q502 HydrophobicContact CD2-CB 3.9Å; L170-Q502 HydrophobicContact CD2-CG 4.02Å
171	G	98.8	Very high	98.6	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	12%	0.122	C	C	.	.	S	Bend	trans	127.6	-126.8	-175.2	0	0	0	0	0	112.8	N198 A199	G171-N198 PolarHBondContact N-OD1 3.4Å; G171-N198 VanDerWaalsContact N-OD1 3.07Å; G171-N198 WeakPolarHBondContact O-CA 3.47Å; G171-N198 WeakPolarHBondContact O-CB 3.34Å; G171-A199 PolarHBondContact O-N 3.41Å; G171-A199 VanDerWaalsContact O-N 3.11Å
172	V	98.9	Very high	98.7	Very high	2 Å²	2	26 Å²	26	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.5	173.8	-178.1	0	0	0	0	109.4	I78 A81 H82 V201 A249	I78-V172 HydrophobicContact CD1-CG1 3.88Å; A81-V172 HydrophobicContact CB-CG1 3.96Å; A81-V172 HydrophobicContact CB-CG2 4.19Å; H82-V172 HydrophobicContact CB-CG2 3.94Å; V172-V201 HydrophobicContact CG1-CG2 4.24Å; V172-A249 PolarHBondContact O-N 3.15Å
173	C	98.9	Very high	98.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.8	173.1	-62.4	0	0	0	0	110.1	A199 M200 V201 K250 Y500	C173-A199 PolarHBondContact N-O 3.06Å; C173-M200 HydrophobicContact CB-CE 4.23Å; C173-M200 CarbonylContact O-C 3.51Å; C173-M200 VanDerWaalsContact O-CA 3.25Å; C173-M200 WeakPolarHBondContact O-CA 3.47Å; C173-V201 PolarHBondContact O-N 3.15Å; C173-K250 HydrophobicContact CB-CB 4.31Å; C173-Y500 HydrophobicContact CB-CE1 4.22Å
174	V	98.9	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.2	169.8	166.6	0	0	0	0	109.1	I78 I176 V201 L242 V248 K250 V251 S252	I78-V174 HydrophobicContact CD1-CG2 4.36Å; V174-I176 HydrophobicContact CG1-CD1 4.31Å; V174-I176 HydrophobicContact CG1-CG1 3.99Å; V174-V201 VanDerWaalsContact CA-O 3.31Å; V174-V201 WeakPolarHBondContact CA-O 3.47Å; V174-L242 HydrophobicContact CG1-CB 3.94Å; V174-L242 HydrophobicContact CG1-CD1 4.15Å; V174-L242 HydrophobicContact CG1-CG 4.46Å; V174-L242 HydrophobicContact CG2-CB 4.19Å; V174-L242 HydrophobicContact CG2-CD2 4.05Å; V174-V248 HydrophobicContact CB-CG1 4.07Å; V174-V248 HydrophobicContact CG2-CB 4.27Å; V174-V248 HydrophobicContact CG2-CG1 3.6Å; V174-V248 HydrophobicContact CG2-CG2 3.57Å; V174-K250 PolarHBondContact N-O 3.16Å; V174-V251 HydrophobicContact CB-CG2 4.45Å; V174-V251 HydrophobicContact CG1-CG1 4.46Å; V174-V251 CarbonylContact O-C 3.53Å; V174-V251 WeakPolarHBondContact O-CA 3.36Å; V174-S252 PolarHBondContact O-N 3.27Å
175	G	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	168.5	0	0	0	0	0	110.3	V201 F202 K203 S252	G175-V201 PolarHBondContact N-O 3.19Å; G175-F202 CarbonylContact O-C 3.49Å; G175-F202 VanDerWaalsContact O-CA 3.31Å; G175-F202 WeakPolarHBondContact O-CA 3.35Å; G175-F202 WeakPolarHBondContact O-CD2 3.37Å; G175-K203 PolarHBondContact O-N 3.29Å; G175-S252 CarbonylContact C-O 3.35Å; G175-S252 WeakPolarHBondContact CA-O 3.39Å
176	I	98.9	Very high	98.7	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.051	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115	172.2	-64.3	165.9	0	0	0	107.8	V174 K203 V251 S252 F253 T254	V174-I176 HydrophobicContact CG1-CD1 4.31Å; V174-I176 HydrophobicContact CG1-CG1 3.99Å; I176-K203 HydrophobicContact CG1-CB 4.36Å; I176-V251 HydrophobicContact CD1-CG1 4.29Å; I176-S252 PolarHBondContact N-O 2.71Å; I176-F253 HydrophobicContact CB-CD2 3.79Å; I176-F253 HydrophobicContact CD1-CD2 4.38Å; I176-F253 HydrophobicContact CG2-CD2 3.53Å; I176-F253 HydrophobicContact CG2-CE2 3.79Å; I176-T254 PolarHBondContact O-N 2.96Å
177	G	98.3	Very high	98.7	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	7%	0.074	C	C	.	.			trans	-93.8	152.8	-174.1	0	0	0	0	0	114.1	K203 S205	G177-K203 PolarHBondContact N-O 2.83Å; G177-S205 PolarHBondContact O-N 3.29Å
178	A	98.3	Very high	98.7	Very high	15 Å²	15	11.7 Å²	11.7	12%	0.124	6%	0.064	C	C	.	.			trans	-86.6	173.6	168	0	0	0	0	0	111.3	N180 I185 T254	A178-N180 WeakPolarHBondContact CB-OD1 3.39Å; A178-I185 HydrophobicContact CB-CD1 4.03Å; A178-T254 HydrophobicContact CB-CG2 3.96Å
179	F	98.6	Very high	98.7	Very high	30 Å²	30	9.9 Å²	9.9	13%	0.132	6%	0.056	C	C	.	.	S	Bend	trans	-91	-13.8	-175.2	61.6	-98.7	0	0	0	114.7	N122 P182 M207 T208 Q309 I354 F416	N122-F179 PolarHBondContact ND2-O 3.35Å; F179-P182 VanDerWaalsContact O-CD 3.27Å; F179-P182 WeakPolarHBondContact O-CD 3.49Å; F179-P182 VanDerWaalsContact O-CG 3.24Å; F179-P182 WeakPolarHBondContact O-CG 3.41Å; F179-M207 HydrophobicContact CB-CB 4.49Å; F179-M207 HydrophobicContact CB-CE 3.93Å; F179-M207 HydrophobicContact CD1-CE 3.22Å; F179-M207 HydrophobicContact CD2-CE 4.4Å; F179-M207 HydrophobicContact CE1-CE 3.72Å; F179-M207 HydrophobicContact CG-CE 3.6Å; F179-M207 HydrophobicContact CZ-CE 4.48Å; F179-T208 WeakPolarHBondContact CA-OG1 3.37Å; F179-T208 HydrophobicContact CB-CG2 3.99Å; F179-T208 WeakPolarHBondContact O-CG2 3.37Å; F179-Q309 HydrophobicContact CE2-CB 4.47Å; F179-I354 HydrophobicContact CB-CG1 4.22Å; F179-I354 HydrophobicContact CD2-CB 3.7Å; F179-I354 HydrophobicContact CD2-CD1 4.36Å; F179-I354 HydrophobicContact CD2-CG1 3.63Å; F179-I354 HydrophobicContact CD2-CG2 3.68Å; F179-I354 HydrophobicContact CE1-CG2 4.49Å; F179-I354 HydrophobicContact CE2-CB 3.81Å; F179-I354 HydrophobicContact CE2-CG1 4.25Å; F179-I354 HydrophobicContact CE2-CG2 3.4Å; F179-I354 HydrophobicContact CG-CG1 4.07Å; F179-I354 HydrophobicContact CG-CG2 4.35Å; F179-I354 HydrophobicContact CZ-CG2 3.83Å; F179-F416 HydrophobicContact CE1-CE1 4.3Å; F179-F416 HydrophobicContact CE2-CD1 4.35Å; F179-F416 AromaticContact CE2-CE1 3.83Å; F179-F416 HydrophobicContact CE2-CE1 3.83Å; F179-F416 AromaticContact CZ-CD1 3.78Å; F179-F416 HydrophobicContact CZ-CD1 3.78Å; F179-F416 AromaticContact CZ-CE1 3.47Å; F179-F416 HydrophobicContact CZ-CE1 3.47Å; F179-F416 VanDerWaalsContact CZ-CE1 3.47Å
180	N	98.4	Very high	98.7	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.037	5%	0.05	C	C	.	.	S	Bend	trans	-84.2	-29.3	-166.2	60.3	-35	0	0	0	114	N122 K124 A178 Q309 F416	N122-N180 PolarHBondContact ND2-O 3.45Å; K124-N180 VanDerWaalsContact CE-O 3.25Å; K124-N180 WeakPolarHBondContact CE-O 3.31Å; K124-N180 PolarHBondContact NZ-O 3.49Å; A178-N180 WeakPolarHBondContact CB-OD1 3.39Å; N180-Q309 HydrophobicContact CB-CB 4.43Å; N180-Q309 WeakPolarHBondContact CB-O 3.36Å; N180-Q309 PolarHBondContact ND2-O 3.24Å; N180-F416 HydrophobicContact CB-CE1 4.27Å; N180-F416 HydrophobicContact CB-CZ 4.24Å
181	Y	98.6	Very high	98.7	Very high	31 Å²	31	8.3 Å²	8.3	12%	0.122	5%	0.046	C	C	.	.	S	Bend	trans	-133.9	61.8	170.8	-66.1	-95.7	0	0	0	111.2	D132 F183 Q184 I185 T306 V310	D132-Y181 WeakPolarHBondContact OD1-CD1 3.39Å; D132-Y181 VanDerWaalsContact OD1-CE1 3.3Å; D132-Y181 WeakPolarHBondContact OD1-CE1 3.43Å; D132-Y181 WeakPolarHBondContact OD2-CD1 3.18Å; Y181-F183 PolarHBondContact O-N 3.44Å; Y181-Q184 VanDerWaalsContact CD1-OE1 3.26Å; Y181-Q184 PolarHBondContact O-N 3.32Å; Y181-I185 WeakPolarHBondContact O-CB 3.49Å; Y181-I185 VanDerWaalsContact O-CG1 3.23Å; Y181-I185 WeakPolarHBondContact O-CG1 3.39Å; Y181-I185 PolarHBondContact O-N 2.81Å; Y181-T306 HydrophobicContact CE2-CG2 4.44Å; Y181-T306 PolarHBondContact OH-OG1 2.96Å; Y181-V310 HydrophobicContact CE2-CB 4.42Å; Y181-V310 HydrophobicContact CE2-CG1 4.07Å; Y181-V310 HydrophobicContact CE2-CG2 4Å; Y181-V310 VanDerWaalsContact OH-CG2 3.22Å; Y181-V310 WeakPolarHBondContact OH-CG2 3.3Å
182	P	98.6	Very high	98.7	Very high	4 Å²	4	8 Å²	8	3%	0.026	4%	0.043	C	C	.	.	H	α-helix	trans	-53.2	-52.4	-168.3	-25.7	31.8	0	0	0	114.8	E118 F179 S186 T208	E118-P182 WeakPolarHBondContact OE1-CD 3.09Å; F179-P182 VanDerWaalsContact O-CD 3.27Å; F179-P182 WeakPolarHBondContact O-CD 3.49Å; F179-P182 VanDerWaalsContact O-CG 3.24Å; F179-P182 WeakPolarHBondContact O-CG 3.41Å; P182-S186 PolarHBondContact O-N 3.06Å; P182-S186 VanDerWaalsContact O-N 3.16Å; P182-T208 VanDerWaalsContact CG-CB 3.41Å; P182-T208 HydrophobicContact CG-CG2 3.8Å; P182-T208 VanDerWaalsContact CG-OG1 3.31Å; P182-T208 WeakPolarHBondContact CG-OG1 3.43Å
183	F	98.7	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.7	-49.5	-177.2	-172.4	-107.3	0	0	0	110.9	I107 I114 E118 V133 A136 Y181 I185 S186 V187 T211 M215	I107-F183 HydrophobicContact CD1-CZ 4.41Å; I107-F183 HydrophobicContact CG1-CZ 4.22Å; I107-F183 HydrophobicContact CG2-CE1 3.9Å; I107-F183 HydrophobicContact CG2-CZ 4.09Å; I114-F183 HydrophobicContact CD1-CE1 4.45Å; I114-F183 HydrophobicContact CD1-CZ 4Å; I114-F183 HydrophobicContact CG2-CD1 3.85Å; I114-F183 HydrophobicContact CG2-CD2 3.91Å; I114-F183 HydrophobicContact CG2-CE1 3.88Å; I114-F183 HydrophobicContact CG2-CE2 3.93Å; I114-F183 HydrophobicContact CG2-CG 3.87Å; I114-F183 HydrophobicContact CG2-CZ 3.92Å; E118-F183 WeakPolarHBondContact OE1-CB 3.38Å; E118-F183 PolarHBondContact OE1-N 3.01Å; V133-F183 HydrophobicContact CG1-CE1 4.26Å; V133-F183 HydrophobicContact CG2-CD1 4.18Å; V133-F183 HydrophobicContact CG2-CE1 4.48Å; A136-F183 HydrophobicContact CB-CD1 3.75Å; A136-F183 HydrophobicContact CB-CE1 3.59Å; Y181-F183 PolarHBondContact O-N 3.44Å; F183-I185 PolarHBondContact O-N 2.83Å; F183-S186 WeakPolarHBondContact O-CB 3.35Å; F183-S186 PolarHBondContact O-N 3.15Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-S186 PolarHBondContact O-OG 3.03Å; F183-V187 HydrophobicContact CE1-CG2 4.41Å; F183-V187 HydrophobicContact CZ-CG2 4.44Å; F183-V187 PolarHBondContact O-N 3.14Å; F183-T211 WeakPolarHBondContact CD2-O 3.5Å; F183-M215 HydrophobicContact CD2-CB 4.49Å; F183-M215 HydrophobicContact CE2-CB 3.93Å; F183-M215 HydrophobicContact CE2-CG 4.47Å; F183-M215 HydrophobicContact CE2-SD 4.01Å; F183-M215 HydrophobicContact CZ-SD 3.94Å
184	Q	98.6	Very high	98.7	Very high	28 Å²	28	7.9 Å²	7.9	13%	0.131	4%	0.042	C	C	.	.	H	α-helix	trans	-59.2	-44.3	179.8	-175.2	-170.9	-17.2	0	0	112.1	D132 V135 Y181 S186 V187 T188	D132-Q184 HydrophobicContact CB-CB 4.5Å; V135-Q184 HydrophobicContact CG1-CG 4.11Å; Y181-Q184 VanDerWaalsContact CD1-OE1 3.26Å; Y181-Q184 PolarHBondContact O-N 3.32Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.71Å; Q184-V187 PolarHBondContact O-N 2.9Å; Q184-T188 WeakPolarHBondContact O-CB 3.22Å; Q184-T188 PolarHBondContact O-N 3.33Å; Q184-T188 PolarHBondContact O-OG1 3.47Å
185	I	98.6	Very high	98.7	Very high	19 Å²	19	7.9 Å²	7.9	10%	0.097	4%	0.042	C	C	.	.	H	α-helix	trans	-64.8	-38	178.7	-69.6	168.4	0	0	0	110.9	A178 Y181 F183 V187 T188 K189 F202 T254	A178-I185 HydrophobicContact CB-CD1 4.03Å; Y181-I185 WeakPolarHBondContact O-CB 3.49Å; Y181-I185 VanDerWaalsContact O-CG1 3.23Å; Y181-I185 WeakPolarHBondContact O-CG1 3.39Å; Y181-I185 PolarHBondContact O-N 2.81Å; F183-I185 PolarHBondContact O-N 2.83Å; I185-V187 VanDerWaalsContact C-N 3.25Å; I185-V187 PolarHBondContact O-N 3.25Å; I185-T188 PolarHBondContact O-N 3.03Å; I185-K189 HydrophobicContact CG2-CD 4.3Å; I185-K189 WeakPolarHBondContact O-CG 3.32Å; I185-K189 PolarHBondContact O-N 3.22Å; I185-K189 VanDerWaalsContact O-N 3.15Å; I185-F202 HydrophobicContact CG2-CE2 4.44Å; I185-F202 HydrophobicContact CG2-CZ 4.39Å; I185-T254 HydrophobicContact CD1-CG2 4.2Å
186	S	98.6	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-39	176.7	81.3	0	0	0	0	111.6	P182 F183 Q184 S190	P182-S186 PolarHBondContact O-N 3.06Å; P182-S186 VanDerWaalsContact O-N 3.16Å; F183-S186 WeakPolarHBondContact O-CB 3.35Å; F183-S186 PolarHBondContact O-N 3.15Å; F183-S186 VanDerWaalsContact O-N 3.16Å; F183-S186 PolarHBondContact O-OG 3.03Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.71Å; S186-S190 VanDerWaalsContact O-CB 3.24Å; S186-S190 WeakPolarHBondContact O-CB 3.34Å; S186-S190 PolarHBondContact O-N 3.47Å; S186-S190 VanDerWaalsContact O-N 3.12Å; S186-S190 PolarHBondContact O-OG 2.96Å
187	V	98.7	Very high	98.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-78	-42.8	178.2	-179.2	0	0	0	0	112.1	A136 T139 M140 F183 Q184 I185 K189 S190 A191 M215	A136-V187 HydrophobicContact CB-CB 4.13Å; A136-V187 HydrophobicContact CB-CG1 4.39Å; A136-V187 HydrophobicContact CB-CG2 4.01Å; A136-V187 VanDerWaalsContact O-CG1 3.25Å; A136-V187 WeakPolarHBondContact O-CG1 3.44Å; T139-V187 HydrophobicContact CG2-CG1 4.41Å; M140-V187 HydrophobicContact CB-CG1 4.43Å; M140-V187 HydrophobicContact CE-CG1 3.75Å; F183-V187 HydrophobicContact CE1-CG2 4.41Å; F183-V187 HydrophobicContact CZ-CG2 4.44Å; F183-V187 PolarHBondContact O-N 3.14Å; Q184-V187 PolarHBondContact O-N 2.9Å; I185-V187 VanDerWaalsContact C-N 3.25Å; I185-V187 PolarHBondContact O-N 3.25Å; V187-K189 PolarHBondContact O-N 2.98Å; V187-K189 VanDerWaalsContact O-N 3.16Å; V187-S190 PolarHBondContact O-N 2.88Å; V187-S190 VanDerWaalsContact O-N 3.17Å; V187-A191 HydrophobicContact CG1-CB 4.23Å; V187-A191 VanDerWaalsContact O-CB 3.22Å; V187-A191 WeakPolarHBondContact O-CB 3.22Å; V187-A191 PolarHBondContact O-N 2.81Å; V187-M215 HydrophobicContact CG2-CG 4.08Å; V187-M215 HydrophobicContact CG2-SD 3.55Å; V187-M215 VanDerWaalsContact CG2-SD 3.55Å
188	T	98.3	Very high	98.7	Very high	14 Å²	14	7.5 Å²	7.5	9%	0.086	4%	0.039	C	C	.	.	H	α-helix	trans	-55.1	-36.5	178.6	-57.2	0	0	0	0	111.6	Q184 I185 P192 E491	Q184-T188 WeakPolarHBondContact O-CB 3.22Å; Q184-T188 PolarHBondContact O-N 3.33Å; Q184-T188 PolarHBondContact O-OG1 3.47Å; I185-T188 PolarHBondContact O-N 3.03Å; T188-P192 WeakPolarHBondContact O-CD 3.37Å; T188-P192 WeakPolarHBondContact O-CG 3.26Å; T188-E491 HydrophobicContact CG2-CB 3.7Å; T188-E491 HydrophobicContact CG2-CG 4.12Å
189	K	98.9	Very high	98.7	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-83.3	-42.6	176.2	-64.3	-170.5	-175	-59.2	0	113.2	I185 V187 A193 M200 F202 S252 T254 E491 Y500	I185-K189 HydrophobicContact CG2-CD 4.3Å; I185-K189 WeakPolarHBondContact O-CG 3.32Å; I185-K189 PolarHBondContact O-N 3.22Å; I185-K189 VanDerWaalsContact O-N 3.15Å; V187-K189 PolarHBondContact O-N 2.98Å; V187-K189 VanDerWaalsContact O-N 3.16Å; K189-A193 WeakPolarHBondContact O-CB 3.4Å; K189-M200 HydrophobicContact CB-CE 3.99Å; K189-M200 HydrophobicContact CB-SD 4.04Å; K189-M200 WeakPolarHBondContact O-CE 3.03Å; K189-F202 HydrophobicContact CD-CE2 4.26Å; K189-S252 PolarHBondContact NZ-OG 3.23Å; K189-T254 WeakPolarHBondContact CE-OG1 3.43Å; K189-T254 PolarHBondContact NZ-OG1 3Å; K189-E491 IonicContact NZ-OE1 2.68Å; K189-E491 PolarHBondContact NZ-OE1 2.99Å; K189-Y500 PolarHBondContact O-OH 3.43Å
190	S	98.9	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-78.5	-35.7	-172.3	60	0	0	0	0	113.4	S186 V187 A193 L194 Y219	S186-S190 VanDerWaalsContact O-CB 3.24Å; S186-S190 WeakPolarHBondContact O-CB 3.34Å; S186-S190 PolarHBondContact O-N 3.47Å; S186-S190 VanDerWaalsContact O-N 3.12Å; S186-S190 PolarHBondContact O-OG 2.96Å; V187-S190 PolarHBondContact O-N 2.88Å; V187-S190 VanDerWaalsContact O-N 3.17Å; S190-A193 WeakPolarHBondContact O-CB 3.13Å; S190-A193 PolarHBondContact O-N 3.37Å; S190-L194 WeakPolarHBondContact O-CB 3.48Å; S190-L194 VanDerWaalsContact O-CD1 3.24Å; S190-L194 WeakPolarHBondContact O-CD1 3.44Å; S190-L194 PolarHBondContact O-N 3.2Å; S190-Y219 WeakPolarHBondContact CB-OH 3.36Å; S190-Y219 PolarHBondContact OG-OH 2.97Å
191	A	98.9	Very high	98.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-57.3	-54.4	179.5	0	0	0	0	0	113.2	M100 T139 M140 Y143 V187 A193 L194 A195	M100-A191 HydrophobicContact CE-CB 4.34Å; M100-A191 VanDerWaalsContact CE-O 3.26Å; M100-A191 WeakPolarHBondContact CE-O 3.26Å; T139-A191 HydrophobicContact CG2-CB 4.21Å; M140-A191 HydrophobicContact CE-CB 4.1Å; M140-A191 HydrophobicContact SD-CB 4.08Å; Y143-A191 HydrophobicContact CD2-CB 3.76Å; Y143-A191 HydrophobicContact CG-CB 4.34Å; V187-A191 HydrophobicContact CG1-CB 4.23Å; V187-A191 VanDerWaalsContact O-CB 3.22Å; V187-A191 WeakPolarHBondContact O-CB 3.22Å; V187-A191 PolarHBondContact O-N 2.81Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.31Å; A191-L194 PolarHBondContact O-N 2.87Å; A191-A195 WeakPolarHBondContact O-CB 3.29Å; A191-A195 PolarHBondContact O-N 3.18Å
192	P	98.9	Very high	98.8	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64.6	-35.2	176.3	23.6	-32.3	0	0	0	112.6	Y143 T188 C196 T496 Y500	Y143-P192 HydrophobicContact CD1-CB 3.96Å; Y143-P192 HydrophobicContact CD2-CB 4.28Å; Y143-P192 HydrophobicContact CD2-CG 4.45Å; Y143-P192 HydrophobicContact CE1-CB 3.72Å; Y143-P192 HydrophobicContact CE2-CB 4.04Å; Y143-P192 HydrophobicContact CE2-CG 4.05Å; Y143-P192 HydrophobicContact CG-CB 4.23Å; T188-P192 WeakPolarHBondContact O-CD 3.37Å; T188-P192 WeakPolarHBondContact O-CG 3.26Å; P192-C196 WeakPolarHBondContact O-CB 3.41Å; P192-C196 PolarHBondContact O-N 3.32Å; P192-C196 PolarHBondContact O-SG 2.95Å; P192-T496 HydrophobicContact CB-CG2 3.81Å; P192-T496 HydrophobicContact CG-CG2 3.93Å; P192-Y500 HydrophobicContact CB-CD2 3.82Å; P192-Y500 HydrophobicContact CB-CE2 4.18Å; P192-Y500 HydrophobicContact CB-CG 4.4Å; P192-Y500 HydrophobicContact CG-CD2 3.96Å; P192-Y500 HydrophobicContact CG-CE2 3.77Å
193	A	98.9	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.5	-51.4	177.5	0	0	0	0	0	111.4	K189 S190 A191 C196 G197 N198 M200 Y500	K189-A193 WeakPolarHBondContact O-CB 3.4Å; S190-A193 WeakPolarHBondContact O-CB 3.13Å; S190-A193 PolarHBondContact O-N 3.37Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.31Å; A193-C196 PolarHBondContact O-N 3.22Å; A193-G197 PolarHBondContact O-N 3.13Å; A193-N198 HydrophobicContact CB-CB 4.25Å; A193-N198 VanDerWaalsContact O-CB 3.27Å; A193-N198 WeakPolarHBondContact O-CB 3.49Å; A193-N198 PolarHBondContact O-N 2.8Å; A193-N198 PolarHBondContact O-ND2 3.38Å; A193-M200 HydrophobicContact CB-CE 3.63Å; A193-Y500 HydrophobicContact CB-CD1 3.55Å; A193-Y500 HydrophobicContact CB-CE1 3.51Å; A193-Y500 HydrophobicContact CB-CG 4.4Å
194	L	98.9	Very high	98.8	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-66.4	-42.3	179.7	-89.7	65.6	0	0	0	111.3	W88 R96 M100 S190 A191 C196 G197 Y219 V224 L228	W88-L194 HydrophobicContact CZ2-CB 4.44Å; W88-L194 PolarHBondContact NE1-O 3.2Å; R96-L194 WeakPolarHBondContact CD-O 3.25Å; M100-L194 HydrophobicContact CE-CB 4.5Å; M100-L194 HydrophobicContact SD-CB 4.24Å; S190-L194 WeakPolarHBondContact O-CB 3.48Å; S190-L194 VanDerWaalsContact O-CD1 3.24Å; S190-L194 WeakPolarHBondContact O-CD1 3.44Å; S190-L194 PolarHBondContact O-N 3.2Å; A191-L194 PolarHBondContact O-N 2.87Å; L194-C196 VanDerWaalsContact C-N 3.28Å; L194-C196 PolarHBondContact O-N 2.91Å; L194-G197 PolarHBondContact O-N 2.94Å; L194-Y219 HydrophobicContact CD2-CD1 4.11Å; L194-Y219 HydrophobicContact CD2-CE1 3.59Å; L194-Y219 HydrophobicContact CD2-CE2 4.32Å; L194-V224 HydrophobicContact CD2-CG2 4.32Å; L194-L228 HydrophobicContact CD2-CD2 4.06Å; L194-L228 HydrophobicContact CG-CD2 3.81Å
195	A	98.9	Very high	98.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-57.9	-40.8	176.2	0	0	0	0	0	112.2	R96 M100 Y143 A147 L150 A191 G197	R96-A195 VanDerWaalsContact CZ-O 3.31Å; R96-A195 PolarHBondContact NE-O 3.05Å; R96-A195 PolarHBondContact NH2-O 3.09Å; M100-A195 HydrophobicContact CE-CB 3.98Å; M100-A195 HydrophobicContact SD-CB 3.97Å; Y143-A195 WeakPolarHBondContact O-CB 3.47Å; A147-A195 HydrophobicContact CB-CB 4.08Å; L150-A195 WeakPolarHBondContact CD1-O 3.41Å; A191-A195 WeakPolarHBondContact O-CB 3.29Å; A191-A195 PolarHBondContact O-N 3.18Å; A195-G197 PolarHBondContact O-N 2.9Å
196	C	98.9	Very high	98.8	Very high	7 Å²	7	4 Å²	4	5%	0.047	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.3	175.8	-66.8	0	0	0	0	114.2	A169 P192 A193 L194 N198 I497 Y500	A169-C196 WeakPolarHBondContact CB-O 3.12Å; P192-C196 WeakPolarHBondContact O-CB 3.41Å; P192-C196 PolarHBondContact O-N 3.32Å; P192-C196 PolarHBondContact O-SG 2.95Å; A193-C196 PolarHBondContact O-N 3.22Å; L194-C196 VanDerWaalsContact C-N 3.28Å; L194-C196 PolarHBondContact O-N 2.91Å; C196-N198 WeakPolarHBondContact CB-ND2 3.5Å; C196-I497 VanDerWaalsContact SG-CD1 3.56Å; C196-Y500 WeakPolarHBondContact CB-O 3.48Å
197	G	98.8	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	16.2	178.2	0	0	0	0	0	115.1	Y85 A193 L194 A195	Y85-G197 WeakPolarHBondContact CD2-O 3.08Å; A193-G197 PolarHBondContact O-N 3.13Å; L194-G197 PolarHBondContact O-N 2.94Å; A195-G197 PolarHBondContact O-N 2.9Å
198	N	98.9	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.			trans	-87	161	177.8	-54.9	-78.4	0	0	0	112.2	L170 G171 A193 C196 Y500	L170-N198 WeakPolarHBondContact CA-OD1 3.23Å; L170-N198 WeakPolarHBondContact CB-OD1 3.4Å; L170-N198 PolarHBondContact N-OD1 3.4Å; G171-N198 PolarHBondContact N-OD1 3.4Å; G171-N198 VanDerWaalsContact N-OD1 3.07Å; G171-N198 WeakPolarHBondContact O-CA 3.47Å; G171-N198 WeakPolarHBondContact O-CB 3.34Å; A193-N198 HydrophobicContact CB-CB 4.25Å; A193-N198 VanDerWaalsContact O-CB 3.27Å; A193-N198 WeakPolarHBondContact O-CB 3.49Å; A193-N198 PolarHBondContact O-N 2.8Å; A193-N198 PolarHBondContact O-ND2 3.38Å; C196-N198 WeakPolarHBondContact CB-ND2 3.5Å; N198-Y500 PolarHBondContact ND2-O 2.85Å
199	A	98.9	Very high	98.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	156.9	157.8	0	0	0	0	0	110.1	A81 G171 C173 L228	A81-A199 HydrophobicContact CB-CB 3.94Å; A81-A199 WeakPolarHBondContact O-CB 3.44Å; G171-A199 PolarHBondContact O-N 3.41Å; G171-A199 VanDerWaalsContact O-N 3.11Å; C173-A199 PolarHBondContact N-O 3.06Å; A199-L228 CarbonylContact C-O 3.56Å; A199-L228 WeakPolarHBondContact CA-O 3.34Å; A199-L228 HydrophobicContact CB-CD1 3.85Å; A199-L228 HydrophobicContact CB-CG 4.37Å
200	M	98.9	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.2	176.4	179.9	163.5	-71.5	0	0	112.6	C173 K189 A193 F202 L228 F229 C230 Y500	C173-M200 HydrophobicContact CB-CE 4.23Å; C173-M200 CarbonylContact O-C 3.51Å; C173-M200 VanDerWaalsContact O-CA 3.25Å; C173-M200 WeakPolarHBondContact O-CA 3.47Å; K189-M200 HydrophobicContact CB-CE 3.99Å; K189-M200 HydrophobicContact CB-SD 4.04Å; K189-M200 WeakPolarHBondContact O-CE 3.03Å; A193-M200 HydrophobicContact CB-CE 3.63Å; M200-F202 HydrophobicContact CG-CB 4.38Å; M200-F202 HydrophobicContact SD-CD2 4.44Å; M200-L228 PolarHBondContact N-O 3.49Å; M200-F229 HydrophobicContact CB-CD2 4.07Å; M200-F229 HydrophobicContact CG-CD2 4.23Å; M200-F229 HydrophobicContact CG-CE2 4.18Å; M200-F229 WeakPolarHBondContact O-CA 3.34Å; M200-F229 HydrophobicContact SD-CE2 4.14Å; M200-C230 PolarHBondContact O-N 2.83Å; M200-Y500 HydrophobicContact CE-CE1 3.99Å
201	V	98.9	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.9	160.7	-178.1	0	0	0	0	108.2	A77 I78 A81 V172 C173 V174 G175 C230 V232 L242	A77-V201 HydrophobicContact CB-CG1 4.42Å; I78-V201 HydrophobicContact CD1-CB 4.13Å; I78-V201 HydrophobicContact CD1-CG2 3.65Å; I78-V201 HydrophobicContact CG1-CG2 4.41Å; A81-V201 HydrophobicContact CB-CG2 3.68Å; V172-V201 HydrophobicContact CG1-CG2 4.24Å; C173-V201 PolarHBondContact O-N 3.15Å; V174-V201 VanDerWaalsContact CA-O 3.31Å; V174-V201 WeakPolarHBondContact CA-O 3.47Å; G175-V201 PolarHBondContact N-O 3.19Å; V201-C230 HydrophobicContact CB-CB 4.48Å; V201-C230 HydrophobicContact CG1-CB 4.32Å; V201-C230 HydrophobicContact CG2-CB 4.07Å; V201-V232 HydrophobicContact CG1-CG1 4.05Å; V201-V232 HydrophobicContact CG1-CG2 3.78Å; V201-L242 HydrophobicContact CG1-CD2 3.87Å
202	F	98.9	Very high	98.5	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.009	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.5	-177.2	-173.2	-103.3	0	0	0	111.3	G175 I185 K189 M200 P204 A212 F229 C230 V231 V232	G175-F202 CarbonylContact O-C 3.49Å; G175-F202 VanDerWaalsContact O-CA 3.31Å; G175-F202 WeakPolarHBondContact O-CA 3.35Å; G175-F202 WeakPolarHBondContact O-CD2 3.37Å; I185-F202 HydrophobicContact CG2-CE2 4.44Å; I185-F202 HydrophobicContact CG2-CZ 4.39Å; K189-F202 HydrophobicContact CD-CE2 4.26Å; M200-F202 HydrophobicContact CG-CB 4.38Å; M200-F202 HydrophobicContact SD-CD2 4.44Å; F202-P204 HydrophobicContact CD1-CB 4.43Å; F202-P204 HydrophobicContact CE1-CB 3.86Å; F202-A212 HydrophobicContact CD1-CB 3.96Å; F202-A212 HydrophobicContact CE1-CB 3.89Å; F202-F229 HydrophobicContact CB-CE2 3.76Å; F202-F229 HydrophobicContact CB-CZ 3.64Å; F202-F229 HydrophobicContact CD1-CZ 4.36Å; F202-F229 HydrophobicContact CG-CE2 4.41Å; F202-F229 HydrophobicContact CG-CZ 4.12Å; F202-C230 PolarHBondContact N-O 3.23Å; F202-V231 VanDerWaalsContact O-CA 3.31Å; F202-V231 WeakPolarHBondContact O-CA 3.37Å; F202-V232 PolarHBondContact O-N 3.38Å
203	K	98.8	Very high	98.5	Very high	12 Å²	12	6.2 Å²	6.2	5%	0.052	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	101.6	173.2	-164.5	-152.5	73.3	64.5	0	109.1	G175 I176 G177 V232 G234 T238 L242	G175-K203 PolarHBondContact O-N 3.29Å; I176-K203 HydrophobicContact CG1-CB 4.36Å; G177-K203 PolarHBondContact N-O 2.83Å; K203-V232 WeakPolarHBondContact CA-O 3.41Å; K203-V232 HydrophobicContact CB-CG2 4.17Å; K203-V232 HydrophobicContact CG-CG2 4.29Å; K203-V232 WeakPolarHBondContact CG-O 3.36Å; K203-G234 PolarHBondContact NZ-O 2.93Å; K203-T238 HydrophobicContact CD-CG2 4.17Å; K203-T238 HydrophobicContact CG-CG2 4.4Å; K203-L242 HydrophobicContact CB-CD1 3.81Å; K203-L242 HydrophobicContact CD-CD1 4.21Å; K203-L242 HydrophobicContact CG-CD1 4.26Å
204	P	98.7	Very high	98.4	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.019	4%	0.035	C	C	.	.			trans	-65.1	171.1	174.4	30.3	-35.6	0	0	0	110.7	F202 A212 V231	F202-P204 HydrophobicContact CD1-CB 4.43Å; F202-P204 HydrophobicContact CE1-CB 3.86Å; P204-A212 HydrophobicContact CB-CB 4.14Å; P204-A212 HydrophobicContact CG-CB 4.2Å; P204-V231 HydrophobicContact CG-CG1 4.22Å
205	S	98.5	Very high	98.4	Very high	13 Å²	13	6.2 Å²	6.2	9%	0.091	4%	0.035	C	C	.	.			trans	-65.3	138.2	167.4	-178.4	0	0	0	0	109.5	G177 M207 T208	G177-S205 PolarHBondContact O-N 3.29Å; S205-M207 PolarHBondContact O-N 3.42Å; S205-M207 VanDerWaalsContact O-N 3.09Å; S205-T208 CarbonylContact O-C 3.32Å; S205-T208 PolarHBondContact O-N 2.89Å
206	P	97.8	Very high	98.3	Very high	31 Å²	31	6.3 Å²	6.3	20%	0.201	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.8	177.6	25.7	-35	0	0	0	113.1	L66	L66-P206 HydrophobicContact CD1-CB 4.25Å; L66-P206 HydrophobicContact CD2-CB 4.43Å
207	M	98.4	Very high	98.3	Very high	61 Å²	61	7.5 Å²	7.5	30%	0.3	4%	0.04	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-26.1	173.8	-64.8	-174.7	-69.5	0	0	113.3	N121 F179 S205 I354	N121-M207 PolarHBondContact ND2-O 3.46Å; F179-M207 HydrophobicContact CB-CB 4.49Å; F179-M207 HydrophobicContact CB-CE 3.93Å; F179-M207 HydrophobicContact CD1-CE 3.22Å; F179-M207 HydrophobicContact CD2-CE 4.4Å; F179-M207 HydrophobicContact CE1-CE 3.72Å; F179-M207 HydrophobicContact CG-CE 3.6Å; F179-M207 HydrophobicContact CZ-CE 4.48Å; S205-M207 PolarHBondContact O-N 3.42Å; S205-M207 VanDerWaalsContact O-N 3.09Å; M207-I354 HydrophobicContact CB-CD1 4.49Å; M207-I354 HydrophobicContact CB-CG1 4.08Å; M207-I354 HydrophobicContact CE-CG1 4.26Å; M207-I354 HydrophobicContact CE-CG2 4.2Å; M207-I354 HydrophobicContact SD-CG1 4.05Å; M207-I354 HydrophobicContact SD-CG2 4.15Å
208	T	98.4	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-134.8	63.7	-174.3	57.1	0	0	0	0	112.5	N121 N122 F179 P182 S205 I354	N121-T208 VanDerWaalsContact OD1-C 3.31Å; N121-T208 VanDerWaalsContact OD1-CA 3.22Å; N121-T208 WeakPolarHBondContact OD1-CA 3.49Å; N122-T208 HydrophobicContact CB-CG2 4.34Å; F179-T208 WeakPolarHBondContact CA-OG1 3.37Å; F179-T208 HydrophobicContact CB-CG2 3.99Å; F179-T208 WeakPolarHBondContact O-CG2 3.37Å; P182-T208 VanDerWaalsContact CG-CB 3.41Å; P182-T208 HydrophobicContact CG-CG2 3.8Å; P182-T208 VanDerWaalsContact CG-OG1 3.31Å; P182-T208 WeakPolarHBondContact CG-OG1 3.43Å; S205-T208 CarbonylContact O-C 3.32Å; S205-T208 PolarHBondContact O-N 2.89Å; T208-I354 HydrophobicContact CG2-CD1 3.52Å; T208-I354 HydrophobicContact CG2-CG1 4.44Å
209	P	97.8	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.			trans	-83.5	-12.6	-170.5	33.1	-36.3	0	0	0	114.6	L35 V54 L66 N121 Q233	L35-P209 HydrophobicContact CD1-CG 4.21Å; V54-P209 HydrophobicContact CG1-CG 4.02Å; V54-P209 HydrophobicContact CG2-CG 3.82Å; L66-P209 HydrophobicContact CD1-CB 3.61Å; L66-P209 HydrophobicContact CD1-CG 3.84Å; N121-P209 WeakPolarHBondContact OD1-CD 3.49Å; P209-Q233 VanDerWaalsContact CB-OE1 3.23Å; P209-Q233 PolarHBondContact O-NE2 3.42Å
210	L	97.4	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-80	-47.4	-158.2	-59.3	-177.8	0	0	0	114.3	I17 V31 L35 L63 L117 N121 A212 L213	I17-L210 HydrophobicContact CD1-CD2 4.32Å; V31-L210 HydrophobicContact CB-CD2 4.47Å; V31-L210 HydrophobicContact CG1-CD2 4.08Å; V31-L210 HydrophobicContact CG2-CD1 3.95Å; V31-L210 HydrophobicContact CG2-CD2 4.24Å; L35-L210 HydrophobicContact CD2-CD2 3.71Å; L63-L210 HydrophobicContact CD1-CD1 4.25Å; L117-L210 HydrophobicContact CD1-CB 4.09Å; L117-L210 HydrophobicContact CD1-CD1 3.84Å; L117-L210 HydrophobicContact CD2-CB 4.24Å; L117-L210 HydrophobicContact CG-CB 4.26Å; N121-L210 HydrophobicContact CB-CD1 4.07Å; N121-L210 WeakPolarHBondContact OD1-CB 3.26Å; N121-L210 VanDerWaalsContact OD1-CG 3.3Å; N121-L210 WeakPolarHBondContact OD1-CG 3.44Å; N121-L210 PolarHBondContact OD1-N 3.49Å; L210-A212 PolarHBondContact O-N 3.21Å; L210-L213 WeakPolarHBondContact O-CB 3.3Å; L210-L213 PolarHBondContact O-N 3.47Å
211	T	98	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-75.2	-23.3	-171.5	48.9	0	0	0	0	113.8	L117 E118 F183 L213 V214 M215	L117-T211 HydrophobicContact CB-CG2 3.95Å; L117-T211 HydrophobicContact CD2-CG2 3.9Å; L117-T211 HydrophobicContact CG-CG2 3.68Å; E118-T211 HydrophobicContact CB-CG2 4.13Å; E118-T211 VanDerWaalsContact OE2-CB 3.3Å; E118-T211 WeakPolarHBondContact OE2-CB 3.36Å; E118-T211 WeakPolarHBondContact OE2-CG2 3.3Å; E118-T211 PolarHBondContact OE2-OG1 3Å; F183-T211 WeakPolarHBondContact CD2-O 3.5Å; T211-L213 PolarHBondContact O-N 3.37Å; T211-V214 WeakPolarHBondContact O-CB 3.13Å; T211-V214 PolarHBondContact O-N 2.94Å; T211-M215 PolarHBondContact O-N 3.2Å; T211-M215 VanDerWaalsContact O-N 3.15Å
212	A	97.6	Very high	98.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-30.1	171.1	0	0	0	0	0	112.5	F202 P204 L210 M215 A216 V231	F202-A212 HydrophobicContact CD1-CB 3.96Å; F202-A212 HydrophobicContact CE1-CB 3.89Å; P204-A212 HydrophobicContact CB-CB 4.14Å; P204-A212 HydrophobicContact CG-CB 4.2Å; L210-A212 PolarHBondContact O-N 3.21Å; A212-M215 WeakPolarHBondContact O-CB 3.16Å; A212-M215 PolarHBondContact O-N 2.98Å; A212-A216 PolarHBondContact O-N 3.26Å; A212-V231 HydrophobicContact CB-CG1 4.33Å; A212-V231 HydrophobicContact CB-CG2 4.45Å
213	L	97.3	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-72.4	-37.3	176.9	-62.3	163.3	0	0	0	111.7	L35 F37 L210 T211 M215 A216 E217 V231	L35-L213 HydrophobicContact CB-CD1 4.08Å; L35-L213 HydrophobicContact CD2-CD1 3.8Å; L35-L213 WeakPolarHBondContact O-CD1 2.99Å; L35-L213 WeakPolarHBondContact O-CD2 3.41Å; F37-L213 HydrophobicContact CB-CD2 3.94Å; L210-L213 WeakPolarHBondContact O-CB 3.3Å; L210-L213 PolarHBondContact O-N 3.47Å; T211-L213 PolarHBondContact O-N 3.37Å; L213-M215 VanDerWaalsContact C-N 3.25Å; L213-M215 PolarHBondContact O-N 3.42Å; L213-A216 WeakPolarHBondContact O-CB 3.46Å; L213-A216 PolarHBondContact O-N 2.92Å; L213-A216 VanDerWaalsContact O-N 3.15Å; L213-E217 WeakPolarHBondContact O-CG 3.19Å; L213-E217 PolarHBondContact O-N 3.49Å; L213-V231 HydrophobicContact CD2-CB 3.92Å; L213-V231 HydrophobicContact CD2-CG1 3.84Å; L213-V231 HydrophobicContact CD2-CG2 4.38Å; L213-V231 HydrophobicContact CG-CG1 4.44Å
214	V	97.6	Very high	98	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-40.9	171.9	177.7	0	0	0	0	110.3	I17 L18 I114 L117 T211 A216 E217 I218	I17-V214 HydrophobicContact CG2-CG2 3.42Å; I17-V214 VanDerWaalsContact CG2-CG2 3.42Å; L18-V214 HydrophobicContact CD1-CG1 3.61Å; L18-V214 HydrophobicContact CD2-CG1 4.11Å; L18-V214 HydrophobicContact CD2-CG2 3.95Å; L18-V214 HydrophobicContact CG-CG1 3.96Å; L18-V214 HydrophobicContact CG-CG2 4.09Å; I114-V214 HydrophobicContact CD1-CG1 4.49Å; I114-V214 HydrophobicContact CG1-CG1 4.09Å; L117-V214 HydrophobicContact CD2-CG2 3.71Å; T211-V214 WeakPolarHBondContact O-CB 3.13Å; T211-V214 PolarHBondContact O-N 2.94Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 PolarHBondContact O-N 3.16Å; V214-E217 PolarHBondContact O-N 3.38Å; V214-I218 HydrophobicContact CG1-CD1 3.88Å; V214-I218 HydrophobicContact CG1-CG1 4.35Å; V214-I218 VanDerWaalsContact O-CG1 3.27Å; V214-I218 WeakPolarHBondContact O-CG1 3.22Å; V214-I218 PolarHBondContact O-N 3.43Å
215	M	98.3	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-40.3	175.5	-167.2	58.9	-129.9	0	0	112.3	I107 M140 F183 V187 T211 A212 L213 I218 Y219	I107-M215 HydrophobicContact CD1-CE 4.05Å; I107-M215 HydrophobicContact CD1-SD 3.92Å; I107-M215 HydrophobicContact CG1-SD 4.43Å; M140-M215 HydrophobicContact CE-CE 3.92Å; F183-M215 HydrophobicContact CD2-CB 4.49Å; F183-M215 HydrophobicContact CE2-CB 3.93Å; F183-M215 HydrophobicContact CE2-CG 4.47Å; F183-M215 HydrophobicContact CE2-SD 4.01Å; F183-M215 HydrophobicContact CZ-SD 3.94Å; V187-M215 HydrophobicContact CG2-CG 4.08Å; V187-M215 HydrophobicContact CG2-SD 3.55Å; V187-M215 VanDerWaalsContact CG2-SD 3.55Å; T211-M215 PolarHBondContact O-N 3.2Å; T211-M215 VanDerWaalsContact O-N 3.15Å; A212-M215 WeakPolarHBondContact O-CB 3.16Å; A212-M215 PolarHBondContact O-N 2.98Å; L213-M215 VanDerWaalsContact C-N 3.25Å; L213-M215 PolarHBondContact O-N 3.42Å; M215-I218 HydrophobicContact CE-CB 4.31Å; M215-I218 HydrophobicContact CE-CG2 3.99Å; M215-I218 PolarHBondContact O-N 2.98Å; M215-Y219 HydrophobicContact CE-CD1 3.57Å; M215-Y219 HydrophobicContact CE-CD2 3.65Å; M215-Y219 HydrophobicContact CE-CE1 3.41Å; M215-Y219 VanDerWaalsContact CE-CE1 3.41Å; M215-Y219 HydrophobicContact CE-CE2 3.49Å; M215-Y219 VanDerWaalsContact CE-CE2 3.49Å; M215-Y219 HydrophobicContact CE-CG 3.71Å; M215-Y219 HydrophobicContact CG-CD2 4.09Å; M215-Y219 HydrophobicContact CG-CE2 3.81Å; M215-Y219 WeakPolarHBondContact O-CD2 3.3Å; M215-Y219 PolarHBondContact O-N 3.36Å; M215-Y219 HydrophobicContact SD-CE2 4.47Å
216	A	98.3	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176.2	0	0	0	0	0	112.7	F37 A212 L213 V214 Y219 K220 F229 V231	F37-A216 HydrophobicContact CB-CB 4.22Å; F37-A216 HydrophobicContact CD1-CB 3.55Å; F37-A216 HydrophobicContact CD2-CB 4.07Å; F37-A216 HydrophobicContact CE1-CB 3.79Å; F37-A216 HydrophobicContact CE2-CB 4.29Å; F37-A216 HydrophobicContact CG-CB 3.69Å; F37-A216 HydrophobicContact CZ-CB 4.16Å; A212-A216 PolarHBondContact O-N 3.26Å; L213-A216 WeakPolarHBondContact O-CB 3.46Å; L213-A216 PolarHBondContact O-N 2.92Å; L213-A216 VanDerWaalsContact O-N 3.15Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 PolarHBondContact O-N 3.16Å; A216-Y219 PolarHBondContact O-N 3.15Å; A216-K220 PolarHBondContact O-N 3.22Å; A216-F229 HydrophobicContact CB-CD1 3.74Å; A216-F229 HydrophobicContact CB-CE1 4Å; A216-V231 HydrophobicContact CB-CG2 3.99Å
217	E	97.7	Very high	98	Very high	32 Å²	32	21.6 Å²	21.6	15%	0.15	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-43.5	173.6	-70.9	171.9	-177.8	0	0	111.8	S16 F37 R42 L213 V214 Y219 K220 E221	S16-E217 PolarHBondContact OG-OE2 3.26Å; F37-E217 HydrophobicContact CE2-CG 4.36Å; R42-E217 IonicContact CZ-OE1 2.75Å; R42-E217 IonicContact NE-OE1 2.67Å; R42-E217 PolarHBondContact NE-OE1 2.88Å; R42-E217 IonicContact NH2-OE1 3.42Å; R42-E217 PolarHBondContact NH2-OE1 3.2Å; R42-E217 IonicContact NH2-OE2 2.7Å; L213-E217 WeakPolarHBondContact O-CG 3.19Å; L213-E217 PolarHBondContact O-N 3.49Å; V214-E217 PolarHBondContact O-N 3.38Å; E217-Y219 PolarHBondContact O-N 3.34Å; E217-K220 WeakPolarHBondContact O-CB 3.32Å; E217-K220 PolarHBondContact O-N 2.99Å; E217-E221 WeakPolarHBondContact O-CB 3.49Å; E217-E221 PolarHBondContact O-N 3.45Å
218	I	98.5	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-44.6	176.3	-71.8	172.1	0	0	0	110.9	A103 I106 I107 I114 V214 M215 K220 E221 A222	A103-I218 HydrophobicContact CB-CG2 4.16Å; I106-I218 HydrophobicContact CB-CG2 4.09Å; I106-I218 HydrophobicContact CG2-CB 4.46Å; I106-I218 HydrophobicContact CG2-CD1 4.44Å; I106-I218 HydrophobicContact CG2-CG1 3.92Å; I106-I218 HydrophobicContact CG2-CG2 4.03Å; I107-I218 HydrophobicContact CG1-CD1 3.87Å; I107-I218 HydrophobicContact CG1-CG2 4.08Å; I114-I218 HydrophobicContact CD1-CD1 3.9Å; V214-I218 HydrophobicContact CG1-CD1 3.88Å; V214-I218 HydrophobicContact CG1-CG1 4.35Å; V214-I218 VanDerWaalsContact O-CG1 3.27Å; V214-I218 WeakPolarHBondContact O-CG1 3.22Å; V214-I218 PolarHBondContact O-N 3.43Å; M215-I218 HydrophobicContact CE-CB 4.31Å; M215-I218 HydrophobicContact CE-CG2 3.99Å; M215-I218 PolarHBondContact O-N 2.98Å; I218-K220 VanDerWaalsContact C-N 3.33Å; I218-K220 PolarHBondContact O-N 3.27Å; I218-E221 PolarHBondContact O-N 3.42Å; I218-A222 WeakPolarHBondContact O-CB 3.41Å; I218-A222 PolarHBondContact O-N 3.11Å
219	Y	98.6	Very high	98	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-44.3	176.3	-82	-43.1	0	0	0	111.9	A103 M140 S190 L194 M215 A216 E217 E221 A222 G223 V224 F229	A103-Y219 HydrophobicContact CB-CD1 4.09Å; A103-Y219 HydrophobicContact CB-CE1 4.28Å; M140-Y219 HydrophobicContact CE-CE1 3.52Å; M140-Y219 WeakPolarHBondContact CE-OH 3.37Å; M140-Y219 HydrophobicContact SD-CE1 4.12Å; S190-Y219 WeakPolarHBondContact CB-OH 3.36Å; S190-Y219 PolarHBondContact OG-OH 2.97Å; L194-Y219 HydrophobicContact CD2-CD1 4.11Å; L194-Y219 HydrophobicContact CD2-CE1 3.59Å; L194-Y219 HydrophobicContact CD2-CE2 4.32Å; M215-Y219 HydrophobicContact CE-CD1 3.57Å; M215-Y219 HydrophobicContact CE-CD2 3.65Å; M215-Y219 HydrophobicContact CE-CE1 3.41Å; M215-Y219 VanDerWaalsContact CE-CE1 3.41Å; M215-Y219 HydrophobicContact CE-CE2 3.49Å; M215-Y219 VanDerWaalsContact CE-CE2 3.49Å; M215-Y219 HydrophobicContact CE-CG 3.71Å; M215-Y219 HydrophobicContact CG-CD2 4.09Å; M215-Y219 HydrophobicContact CG-CE2 3.81Å; M215-Y219 WeakPolarHBondContact O-CD2 3.3Å; M215-Y219 PolarHBondContact O-N 3.36Å; M215-Y219 HydrophobicContact SD-CE2 4.47Å; A216-Y219 PolarHBondContact O-N 3.15Å; E217-Y219 PolarHBondContact O-N 3.34Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.47Å; Y219-A222 PolarHBondContact O-N 2.58Å; Y219-G223 PolarHBondContact O-N 2.95Å; Y219-V224 HydrophobicContact CD1-CG2 3.59Å; Y219-V224 HydrophobicContact CE1-CG2 4.46Å; Y219-V224 HydrophobicContact CG-CG2 4Å; Y219-V224 WeakPolarHBondContact O-CB 3.29Å; Y219-V224 WeakPolarHBondContact O-CG2 3.25Å; Y219-V224 PolarHBondContact O-N 2.72Å; Y219-F229 HydrophobicContact CD2-CB 3.63Å; Y219-F229 AromaticContact CD2-CD1 3.77Å; Y219-F229 HydrophobicContact CD2-CD1 3.77Å; Y219-F229 HydrophobicContact CD2-CD2 4.14Å; Y219-F229 HydrophobicContact CD2-CE1 4.44Å; Y219-F229 AromaticContact CD2-CG 3.57Å; Y219-F229 HydrophobicContact CD2-CG 3.57Å; Y219-F229 HydrophobicContact CE2-CB 4.04Å; Y219-F229 HydrophobicContact CE2-CD1 4.12Å; Y219-F229 AromaticContact CE2-CD2 3.77Å; Y219-F229 HydrophobicContact CE2-CD2 3.77Å; Y219-F229 HydrophobicContact CE2-CE2 4.24Å; Y219-F229 AromaticContact CE2-CG 3.7Å; Y219-F229 HydrophobicContact CE2-CG 3.7Å; Y219-F229 HydrophobicContact CG-CB 4.46Å
220	K	97.6	Very high	98.1	Very high	92 Å²	92	18.9 Å²	18.9	40%	0.4	11%	0.108	S	C	.	.	H	α-helix	trans	-57.4	-47.2	175.4	173.7	59.6	175.3	176.4	0	111.4	F37 A216 E217 I218 G223 D226	F37-K220 HydrophobicContact CZ-CB 4.32Å; A216-K220 PolarHBondContact O-N 3.22Å; E217-K220 WeakPolarHBondContact O-CB 3.32Å; E217-K220 PolarHBondContact O-N 2.99Å; I218-K220 VanDerWaalsContact C-N 3.33Å; I218-K220 PolarHBondContact O-N 3.27Å; K220-G223 PolarHBondContact O-N 2.7Å; K220-D226 WeakPolarHBondContact CD-OD1 3.2Å; K220-D226 WeakPolarHBondContact CE-OD1 3.45Å; K220-D226 IonicContact NZ-OD1 2.64Å; K220-D226 PolarHBondContact NZ-OD1 3.08Å; K220-D226 IonicContact NZ-OD2 3.02Å; K220-D226 PolarHBondContact NZ-OD2 2.59Å
221	E	98	Very high	98.2	Very high	80 Å²	80	18.9 Å²	18.9	37%	0.374	11%	0.108	S	C	.	.	H	α-helix	trans	-64.6	-38	179	-172.1	175.9	165.8	0	0	112.6	I106 R110 E217 I218 Y219 G223	I106-E221 HydrophobicContact CD1-CB 4.16Å; I106-E221 HydrophobicContact CD1-CG 3.9Å; R110-E221 IonicContact CZ-OE1 3.81Å; R110-E221 IonicContact CZ-OE2 3.11Å; R110-E221 IonicContact NH1-OE2 2.78Å; R110-E221 PolarHBondContact NH1-OE2 3.35Å; R110-E221 IonicContact NH2-OE1 2.85Å; R110-E221 PolarHBondContact NH2-OE1 3.25Å; R110-E221 IonicContact NH2-OE2 2.69Å; R110-E221 PolarHBondContact NH2-OE2 3.29Å; E217-E221 WeakPolarHBondContact O-CB 3.49Å; E217-E221 PolarHBondContact O-N 3.45Å; I218-E221 PolarHBondContact O-N 3.42Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.47Å; E221-G223 PolarHBondContact O-N 3.37Å
222	A	98.4	Very high	98.2	Very high	10 Å²	10	18.9 Å²	18.9	8%	0.083	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-9.8	177.7	0	0	0	0	0	114.1	E102 A103 I106 I218 Y219	E102-A222 HydrophobicContact CB-CB 4.2Å; E102-A222 HydrophobicContact CG-CB 4.08Å; A103-A222 HydrophobicContact CB-CB 3.74Å; I106-A222 HydrophobicContact CD1-CB 4.16Å; I218-A222 WeakPolarHBondContact O-CB 3.41Å; I218-A222 PolarHBondContact O-N 3.11Å; Y219-A222 PolarHBondContact O-N 2.58Å
223	G	98	Very high	98.2	Very high	48 Å²	48	18.9 Å²	18.9	50%	0.495	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	18.5	-179.7	0	0	0	0	0	114.5	Y219 K220 E221	Y219-G223 PolarHBondContact O-N 2.95Å; K220-G223 PolarHBondContact O-N 2.7Å; E221-G223 PolarHBondContact O-N 3.37Å
224	V	97.8	Very high	98.2	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.055	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-63.1	134.2	169.2	172.6	0	0	0	0	109.6	V99 L194 Y219 L228	V99-V224 HydrophobicContact CG1-CB 4.43Å; V99-V224 HydrophobicContact CG1-CG2 3.57Å; L194-V224 HydrophobicContact CD2-CG2 4.32Å; Y219-V224 HydrophobicContact CD1-CG2 3.59Å; Y219-V224 HydrophobicContact CE1-CG2 4.46Å; Y219-V224 HydrophobicContact CG-CG2 4Å; Y219-V224 WeakPolarHBondContact O-CB 3.29Å; Y219-V224 WeakPolarHBondContact O-CG2 3.25Å; Y219-V224 PolarHBondContact O-N 2.72Å; V224-L228 HydrophobicContact CG1-CB 3.43Å; V224-L228 VanDerWaalsContact CG1-CB 3.43Å; V224-L228 HydrophobicContact CG1-CD2 3.56Å; V224-L228 HydrophobicContact CG1-CG 4.09Å
225	P	98.3	Very high	98.1	Very high	33 Å²	33	19.9 Å²	19.9	21%	0.214	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-54.9	140.5	177.8	-27.7	34.5	0	0	0	113.3	A84 W88 G227 L228	A84-P225 HydrophobicContact CB-CB 4.39Å; W88-P225 HydrophobicContact CE3-CG 3.8Å; W88-P225 HydrophobicContact CZ3-CG 4.45Å; P225-G227 PolarHBondContact O-N 3.03Å; P225-G227 VanDerWaalsContact O-N 3.17Å; P225-L228 VanDerWaalsContact O-CB 3.29Å; P225-L228 WeakPolarHBondContact O-CB 3.28Å; P225-L228 PolarHBondContact O-N 3.3Å
226	D	98.4	Very high	98	Very high	81 Å²	81	23.9 Å²	23.9	43%	0.433	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	121.4	179.1	-71.7	-24.3	0	0	0	111.9	G40 A84 K220	G40-D226 WeakPolarHBondContact CA-OD1 3.49Å; A84-D226 WeakPolarHBondContact CB-O 3.22Å; K220-D226 WeakPolarHBondContact CD-OD1 3.2Å; K220-D226 WeakPolarHBondContact CE-OD1 3.45Å; K220-D226 IonicContact NZ-OD1 2.64Å; K220-D226 PolarHBondContact NZ-OD1 3.08Å; K220-D226 IonicContact NZ-OD2 3.02Å; K220-D226 PolarHBondContact NZ-OD2 2.59Å
227	G	97.8	Very high	98	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-10.1	-176.9	0	0	0	0	0	114.9	S80 A81 P225 F229 C230	S80-G227 WeakPolarHBondContact OG-CA 3.25Å; A81-G227 WeakPolarHBondContact CA-O 3.41Å; P225-G227 PolarHBondContact O-N 3.03Å; P225-G227 VanDerWaalsContact O-N 3.17Å; G227-F229 PolarHBondContact O-N 3.14Å; G227-C230 PolarHBondContact O-SG 2.96Å
228	L	98.7	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-65	-32.3	-177	-161.9	77.2	0	0	0	112.6	A84 W88 L194 A199 M200 V224 P225	A84-L228 HydrophobicContact CB-CB 3.93Å; A84-L228 HydrophobicContact CB-CD1 3.87Å; A84-L228 VanDerWaalsContact CB-N 3.28Å; W88-L228 HydrophobicContact CB-CD1 3.38Å; W88-L228 HydrophobicContact CB-CD2 4.11Å; W88-L228 HydrophobicContact CB-CG 4.4Å; W88-L228 HydrophobicContact CD2-CD1 4.37Å; W88-L228 HydrophobicContact CD2-CD2 3.4Å; W88-L228 HydrophobicContact CE3-CD2 3.97Å; W88-L228 HydrophobicContact CG-CD1 3.57Å; W88-L228 HydrophobicContact CG-CD2 3.46Å; W88-L228 VanDerWaalsContact CG-CD2 3.46Å; W88-L228 HydrophobicContact CG-CG 4.16Å; W88-L228 HydrophobicContact CZ2-CD2 4.16Å; L194-L228 HydrophobicContact CD2-CD2 4.06Å; L194-L228 HydrophobicContact CG-CD2 3.81Å; A199-L228 CarbonylContact C-O 3.56Å; A199-L228 WeakPolarHBondContact CA-O 3.34Å; A199-L228 HydrophobicContact CB-CD1 3.85Å; A199-L228 HydrophobicContact CB-CG 4.37Å; M200-L228 PolarHBondContact N-O 3.49Å; V224-L228 HydrophobicContact CG1-CB 3.43Å; V224-L228 VanDerWaalsContact CG1-CB 3.43Å; V224-L228 HydrophobicContact CG1-CD2 3.56Å; V224-L228 HydrophobicContact CG1-CG 4.09Å; P225-L228 VanDerWaalsContact O-CB 3.29Å; P225-L228 WeakPolarHBondContact O-CB 3.28Å; P225-L228 PolarHBondContact O-N 3.3Å
229	F	98.8	Very high	98	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.022	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114	168.4	-173.3	-96.3	0	0	0	109	M200 F202 A216 Y219 G227 V231	M200-F229 HydrophobicContact CB-CD2 4.07Å; M200-F229 HydrophobicContact CG-CD2 4.23Å; M200-F229 HydrophobicContact CG-CE2 4.18Å; M200-F229 WeakPolarHBondContact O-CA 3.34Å; M200-F229 HydrophobicContact SD-CE2 4.14Å; F202-F229 HydrophobicContact CB-CE2 3.76Å; F202-F229 HydrophobicContact CB-CZ 3.64Å; F202-F229 HydrophobicContact CD1-CZ 4.36Å; F202-F229 HydrophobicContact CG-CE2 4.41Å; F202-F229 HydrophobicContact CG-CZ 4.12Å; A216-F229 HydrophobicContact CB-CD1 3.74Å; A216-F229 HydrophobicContact CB-CE1 4Å; Y219-F229 HydrophobicContact CD2-CB 3.63Å; Y219-F229 AromaticContact CD2-CD1 3.77Å; Y219-F229 HydrophobicContact CD2-CD1 3.77Å; Y219-F229 HydrophobicContact CD2-CD2 4.14Å; Y219-F229 HydrophobicContact CD2-CE1 4.44Å; Y219-F229 AromaticContact CD2-CG 3.57Å; Y219-F229 HydrophobicContact CD2-CG 3.57Å; Y219-F229 HydrophobicContact CE2-CB 4.04Å; Y219-F229 HydrophobicContact CE2-CD1 4.12Å; Y219-F229 AromaticContact CE2-CD2 3.77Å; Y219-F229 HydrophobicContact CE2-CD2 3.77Å; Y219-F229 HydrophobicContact CE2-CE2 4.24Å; Y219-F229 AromaticContact CE2-CG 3.7Å; Y219-F229 HydrophobicContact CE2-CG 3.7Å; Y219-F229 HydrophobicContact CG-CB 4.46Å; G227-F229 PolarHBondContact O-N 3.14Å; F229-V231 HydrophobicContact CD1-CG2 4.2Å; F229-V231 HydrophobicContact CE1-CG2 3.54Å; F229-V231 HydrophobicContact CZ-CG2 4.28Å
230	C	98.9	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.7	175.2	-60.8	0	0	0	0	110.1	F37 W38 A77 M200 V201 F202 G227	F37-C230 CarbonylContact O-C 3.48Å; F37-C230 VanDerWaalsContact O-CA 3.26Å; F37-C230 WeakPolarHBondContact O-CA 3.49Å; F37-C230 WeakPolarHBondContact O-CB 3.17Å; W38-C230 HydrophobicContact CB-CB 4.11Å; A77-C230 HydrophobicContact CB-CB 4.33Å; M200-C230 PolarHBondContact O-N 2.83Å; V201-C230 HydrophobicContact CB-CB 4.48Å; V201-C230 HydrophobicContact CG1-CB 4.32Å; V201-C230 HydrophobicContact CG2-CB 4.07Å; F202-C230 PolarHBondContact N-O 3.23Å; G227-C230 PolarHBondContact O-SG 2.96Å
231	V	98.9	Very high	98.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.5	172.2	-177.3	0	0	0	0	108.9	F37 F202 P204 A212 L213 A216 F229	F37-V231 HydrophobicContact CB-CB 4.1Å; F37-V231 HydrophobicContact CB-CG2 4.47Å; F37-V231 PolarHBondContact N-O 2.99Å; F37-V231 PolarHBondContact O-N 3.3Å; F202-V231 VanDerWaalsContact O-CA 3.31Å; F202-V231 WeakPolarHBondContact O-CA 3.37Å; P204-V231 HydrophobicContact CG-CG1 4.22Å; A212-V231 HydrophobicContact CB-CG1 4.33Å; A212-V231 HydrophobicContact CB-CG2 4.45Å; L213-V231 HydrophobicContact CD2-CB 3.92Å; L213-V231 HydrophobicContact CD2-CG1 3.84Å; L213-V231 HydrophobicContact CD2-CG2 4.38Å; L213-V231 HydrophobicContact CG-CG1 4.44Å; A216-V231 HydrophobicContact CB-CG2 3.99Å; F229-V231 HydrophobicContact CD1-CG2 4.2Å; F229-V231 HydrophobicContact CE1-CG2 3.54Å; F229-V231 HydrophobicContact CZ-CG2 4.28Å
232	V	98.6	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.169	C	C	.	.			trans	-117.8	132.8	173.8	-64.3	0	0	0	0	109.3	C69 A77 V201 F202 K203 T238 L242	C69-V232 HydrophobicContact CB-CB 4.28Å; A77-V232 HydrophobicContact CB-CG1 3.49Å; A77-V232 VanDerWaalsContact CB-CG1 3.49Å; V201-V232 HydrophobicContact CG1-CG1 4.05Å; V201-V232 HydrophobicContact CG1-CG2 3.78Å; F202-V232 PolarHBondContact O-N 3.38Å; K203-V232 WeakPolarHBondContact CA-O 3.41Å; K203-V232 HydrophobicContact CB-CG2 4.17Å; K203-V232 HydrophobicContact CG-CG2 4.29Å; K203-V232 WeakPolarHBondContact CG-O 3.36Å; V232-T238 HydrophobicContact CG2-CG2 4.21Å; V232-L242 HydrophobicContact CG2-CD1 3.86Å; V232-L242 HydrophobicContact CG2-CD2 4.26Å
233	Q	98.1	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.165	C	C	.	.			trans	-95	154	-177.2	-60.8	-64.5	-6.4	0	0	111.5	L35 N36 L66 C69 P209 T238	L35-Q233 HydrophobicContact CB-CG 3.92Å; L35-Q233 WeakPolarHBondContact O-CG 3.4Å; L35-Q233 PolarHBondContact O-NE2 2.75Å; N36-Q233 VanDerWaalsContact OD1-CB 3.24Å; N36-Q233 WeakPolarHBondContact OD1-CB 3.24Å; N36-Q233 WeakPolarHBondContact OD1-CG 3.19Å; N36-Q233 PolarHBondContact OD1-N 2.84Å; L66-Q233 HydrophobicContact CD1-CB 3.89Å; L66-Q233 HydrophobicContact CD1-CG 4.19Å; L66-Q233 HydrophobicContact CD2-CB 4.09Å; L66-Q233 HydrophobicContact CG-CB 3.91Å; L66-Q233 HydrophobicContact CG-CG 4.45Å; C69-Q233 WeakPolarHBondContact CB-O 3.44Å; C69-Q233 PolarHBondContact N-O 3.2Å; P209-Q233 VanDerWaalsContact CB-OE1 3.23Å; P209-Q233 PolarHBondContact O-NE2 3.42Å; Q233-T238 PolarHBondContact O-OG1 2.71Å
234	G	96.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.			trans	138	174	171.1	0	0	0	0	0	114.5	K203	K203-G234 PolarHBondContact NZ-O 2.93Å
235	G	95.8	Very high	98.2	Very high	22 Å²	22	26.8 Å²	26.8	23%	0.227	16%	0.158	C	C	.	.	S	Bend	trans	-86.6	-139.6	-176.7	0	0	0	0	0	114.2	G239	G235-G239 PolarHBondContact O-N 2.87Å
236	A	96.8	Very high	98.2	Very high	84 Å²	84	30.8 Å²	30.8	69%	0.694	18%	0.184	S	C	*	.	H	α-helix	trans	-67.2	-33.5	-176	0	0	0	0	0	113.4	G239 T240	A236-G239 PolarHBondContact O-N 3.46Å; A236-T240 WeakPolarHBondContact O-CB 3.41Å; A236-T240 PolarHBondContact O-N 2.88Å; A236-T240 PolarHBondContact O-OG1 2.99Å
237	E	97.4	Very high	98.2	Very high	140 Å²	140	31 Å²	31	65%	0.654	18%	0.181	S	C	*	.	H	α-helix	trans	-64.9	-52.9	179.9	-174.6	175.9	179.5	0	0	111.4	G239 T240 L241	E237-G239 VanDerWaalsContact C-N 3.27Å; E237-G239 PolarHBondContact O-N 2.63Å; E237-T240 WeakPolarHBondContact O-CA 3.48Å; E237-T240 WeakPolarHBondContact O-CB 3.37Å; E237-T240 PolarHBondContact O-N 2.79Å; E237-L241 WeakPolarHBondContact O-CG 3.31Å; E237-L241 PolarHBondContact O-N 2.78Å
238	T	98.2	Very high	98.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-56.4	-42.1	173.4	-46	0	0	0	0	111.5	C69 V74 K203 V232 Q233 T240 L241 L242	C69-T238 HydrophobicContact CB-CG2 3.9Å; C69-T238 PolarHBondContact O-OG1 3.25Å; V74-T238 HydrophobicContact CG2-CG2 3.96Å; K203-T238 HydrophobicContact CD-CG2 4.17Å; K203-T238 HydrophobicContact CG-CG2 4.4Å; V232-T238 HydrophobicContact CG2-CG2 4.21Å; Q233-T238 PolarHBondContact O-OG1 2.71Å; T238-T240 VanDerWaalsContact C-N 3.33Å; T238-T240 PolarHBondContact O-N 2.9Å; T238-L241 PolarHBondContact O-N 2.96Å; T238-L242 HydrophobicContact CG2-CD1 4.45Å; T238-L242 VanDerWaalsContact O-CG 3.31Å; T238-L242 WeakPolarHBondContact O-CG 3.12Å; T238-L242 PolarHBondContact O-N 3.36Å; T238-L242 VanDerWaalsContact O-N 3.08Å
239	G	98.4	Very high	98.2	Very high	7 Å²	7	32.7 Å²	32.7	7%	0.072	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-39.4	174.3	0	0	0	0	0	113.5	G235 A236 E237 L242 C243	G235-G239 PolarHBondContact O-N 2.87Å; A236-G239 PolarHBondContact O-N 3.46Å; E237-G239 VanDerWaalsContact C-N 3.27Å; E237-G239 PolarHBondContact O-N 2.63Å; G239-L242 PolarHBondContact O-N 3.13Å; G239-C243 PolarHBondContact O-N 3.3Å; G239-C243 PolarHBondContact O-SG 3.43Å
240	T	98.6	Very high	98.2	Very high	50 Å²	50	32.5 Å²	32.5	31%	0.307	19%	0.194	S	C	.	.	H	α-helix	trans	-65.4	-46.6	177.2	-62	0	0	0	0	111.1	A236 E237 T238 L242 C243 H244 M266	A236-T240 WeakPolarHBondContact O-CB 3.41Å; A236-T240 PolarHBondContact O-N 2.88Å; A236-T240 PolarHBondContact O-OG1 2.99Å; E237-T240 WeakPolarHBondContact O-CA 3.48Å; E237-T240 WeakPolarHBondContact O-CB 3.37Å; E237-T240 PolarHBondContact O-N 2.79Å; T238-T240 VanDerWaalsContact C-N 3.33Å; T238-T240 PolarHBondContact O-N 2.9Å; T240-L242 VanDerWaalsContact C-N 3.31Å; T240-L242 PolarHBondContact O-N 2.86Å; T240-C243 PolarHBondContact O-N 3.25Å; T240-H244 PolarHBondContact O-N 3.05Å; T240-M266 HydrophobicContact CG2-SD 3.64Å
241	L	98.7	Very high	98.2	Very high	51 Å²	51	32.5 Å²	32.5	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-56.4	-46.9	176.4	-68.5	167.8	0	0	0	111	A71 V74 E237 T238 C243 H244 H245	A71-L241 HydrophobicContact CB-CD1 4.35Å; A71-L241 HydrophobicContact CB-CD2 4.07Å; V74-L241 HydrophobicContact CB-CB 4.45Å; V74-L241 HydrophobicContact CG1-CB 4.2Å; V74-L241 HydrophobicContact CG2-CB 4.16Å; V74-L241 HydrophobicContact CG2-CD1 4.27Å; E237-L241 WeakPolarHBondContact O-CG 3.31Å; E237-L241 PolarHBondContact O-N 2.78Å; T238-L241 PolarHBondContact O-N 2.96Å; L241-C243 PolarHBondContact O-N 3.2Å; L241-H244 PolarHBondContact O-N 3.12Å; L241-H245 WeakPolarHBondContact O-CB 3.18Å; L241-H245 PolarHBondContact O-N 3Å
242	L	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-43.3	176.6	-68.9	166	0	0	0	112.7	V74 I78 V174 V201 K203 V232 T238 G239 T240 H244 H245	V74-L242 HydrophobicContact CG1-CD2 3.9Å; V74-L242 HydrophobicContact CG1-CG 4.35Å; I78-L242 HydrophobicContact CD1-CD2 4.26Å; V174-L242 HydrophobicContact CG1-CB 3.94Å; V174-L242 HydrophobicContact CG1-CD1 4.15Å; V174-L242 HydrophobicContact CG1-CG 4.46Å; V174-L242 HydrophobicContact CG2-CB 4.19Å; V174-L242 HydrophobicContact CG2-CD2 4.05Å; V201-L242 HydrophobicContact CG1-CD2 3.87Å; K203-L242 HydrophobicContact CB-CD1 3.81Å; K203-L242 HydrophobicContact CD-CD1 4.21Å; K203-L242 HydrophobicContact CG-CD1 4.26Å; V232-L242 HydrophobicContact CG2-CD1 3.86Å; V232-L242 HydrophobicContact CG2-CD2 4.26Å; T238-L242 HydrophobicContact CG2-CD1 4.45Å; T238-L242 VanDerWaalsContact O-CG 3.31Å; T238-L242 WeakPolarHBondContact O-CG 3.12Å; T238-L242 PolarHBondContact O-N 3.36Å; T238-L242 VanDerWaalsContact O-N 3.08Å; G239-L242 PolarHBondContact O-N 3.13Å; T240-L242 VanDerWaalsContact C-N 3.31Å; T240-L242 PolarHBondContact O-N 2.86Å; L242-H244 VanDerWaalsContact C-N 3.32Å; L242-H244 PolarHBondContact O-N 3.28Å; L242-H245 PolarHBondContact O-N 2.91Å
243	C	98.7	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-33.7	178.8	-66	0	0	0	0	112.5	G239 T240 L241 M266 K272	G239-C243 PolarHBondContact O-N 3.3Å; G239-C243 PolarHBondContact O-SG 3.43Å; T240-C243 PolarHBondContact O-N 3.25Å; L241-C243 PolarHBondContact O-N 3.2Å; C243-M266 HydrophobicContact CB-CB 3.84Å; C243-M266 HydrophobicContact CB-CE 4.23Å; C243-K272 VanDerWaalsContact O-CE 3.24Å; C243-K272 WeakPolarHBondContact O-CE 3.44Å; C243-K272 PolarHBondContact O-NZ 3.02Å
244	H	98.5	Very high	98.3	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.329	20%	0.203	S	C	.	.	H	α-helix	trans	-84.7	-19.3	-180	-76.7	-20.9	0	0	0	114.1	T240 L241 L242 M266 K269	T240-H244 PolarHBondContact O-N 3.05Å; L241-H244 PolarHBondContact O-N 3.12Å; L242-H244 VanDerWaalsContact C-N 3.32Å; L242-H244 PolarHBondContact O-N 3.28Å; H244-M266 PolarHBondContact CE1-O 2.77Å; H244-M266 PolarHBondContact ND1-O 3.33Å; H244-K269 PolarHBondContact CE1-NZ 2.67Å; H244-K269 PolarHBondContact NE2-NZ 3.22Å
245	H	98.8	Very high	98.3	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.065	21%	0.214	C	C	.	.			trans	-56.6	131	-174.6	-162.3	-73.4	0	0	0	112.6	E75 I78 L241 L242 K247 V248 K272	E75-H245 IonicContact OE2-CD2 3.39Å; E75-H245 IonicContact OE2-CE1 3.6Å; E75-H245 IonicContact OE2-NE2 3.72Å; E75-H245 PolarHBondContact OE2-NE2 2.85Å; I78-H245 WeakPolarHBondContact CG2-CE1 3.34Å; L241-H245 WeakPolarHBondContact O-CB 3.18Å; L241-H245 PolarHBondContact O-N 3Å; L242-H245 PolarHBondContact O-N 2.91Å; H245-K247 PolarHBondContact ND1-N 2.98Å; H245-K247 VanDerWaalsContact ND1-N 3.19Å; H245-K247 PolarHBondContact O-N 3.3Å; H245-V248 HydrophobicContact CB-CG2 3.86Å; H245-V248 PolarHBondContact O-N 3.33Å; H245-K272 WeakPolarHBondContact O-CE 3.23Å; H245-K272 PolarHBondContact O-NZ 3.34Å
246	P	98.3	Very high	98.4	Very high	117 Å²	117	36.6 Å²	36.6	76%	0.76	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.1	-172.7	25.7	-34.9	0	0	0	114.1	V248	P246-V248 VanDerWaalsContact C-N 3.33Å
247	K	97.9	Very high	98.5	Very high	86 Å²	86	33.1 Å²	33.1	37%	0.374	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.2	178.5	-62.3	-170.1	177.1	-157.1	0	115.3	I78 H245	I78-K247 HydrophobicContact CG2-CB 3.85Å; I78-K247 HydrophobicContact CG2-CD 4.45Å; H245-K247 PolarHBondContact ND1-N 2.98Å; H245-K247 VanDerWaalsContact ND1-N 3.19Å; H245-K247 PolarHBondContact O-N 3.3Å
248	V	98.8	Very high	98.5	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.036	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.1	179.5	171.9	0	0	0	0	108.9	I78 V174 H245 P246 K250 V251 K272	I78-V248 HydrophobicContact CD1-CG2 3.53Å; V174-V248 HydrophobicContact CB-CG1 4.07Å; V174-V248 HydrophobicContact CG2-CB 4.27Å; V174-V248 HydrophobicContact CG2-CG1 3.6Å; V174-V248 HydrophobicContact CG2-CG2 3.57Å; H245-V248 HydrophobicContact CB-CG2 3.86Å; H245-V248 PolarHBondContact O-N 3.33Å; P246-V248 VanDerWaalsContact C-N 3.33Å; V248-K250 WeakPolarHBondContact CG1-O 3.43Å; V248-V251 HydrophobicContact CG1-CG2 4.16Å; V248-K272 HydrophobicContact CB-CD 4.28Å; V248-K272 HydrophobicContact CG1-CD 3.99Å; V248-K272 WeakPolarHBondContact O-CD 3.25Å; V248-K272 WeakPolarHBondContact O-CE 3.37Å
249	A	98.8	Very high	98.5	Very high	32 Å²	32	33.6 Å²	33.6	26%	0.264	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-29	180	0	0	0	0	0	112.6	L170 V172 Q273	L170-A249 HydrophobicContact CB-CB 3.98Å; L170-A249 VanDerWaalsContact O-CB 3.3Å; L170-A249 WeakPolarHBondContact O-CB 3.4Å; V172-A249 PolarHBondContact O-N 3.15Å; A249-Q273 PolarHBondContact O-N 2.88Å; A249-Q273 VanDerWaalsContact O-N 3.13Å
250	K	98.9	Very high	98.5	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.4	-174.1	176.7	-176.6	178.8	69.9	0	112	L170 C173 V174 V248 Q273 T275 Y499 Y500	L170-K250 HydrophobicContact CD1-CB 3.93Å; L170-K250 HydrophobicContact CD1-CD 3.78Å; L170-K250 HydrophobicContact CD1-CG 4.35Å; C173-K250 HydrophobicContact CB-CB 4.31Å; V174-K250 PolarHBondContact N-O 3.16Å; V248-K250 WeakPolarHBondContact CG1-O 3.43Å; K250-Q273 CarbonylContact C-O 3.49Å; K250-Q273 VanDerWaalsContact CA-O 3.25Å; K250-Q273 WeakPolarHBondContact CA-O 3.17Å; K250-Q273 HydrophobicContact CB-CB 4.29Å; K250-Q273 HydrophobicContact CG-CB 4.24Å; K250-T275 PolarHBondContact NZ-OG1 2.79Å; K250-Y499 WeakPolarHBondContact CD-O 3.46Å; K250-Y499 WeakPolarHBondContact CE-O 3.48Å; K250-Y499 PolarHBondContact NZ-O 2.78Å; K250-Y500 HydrophobicContact CD-CD1 3.83Å; K250-Y500 HydrophobicContact CD-CE1 3.74Å; K250-Y500 HydrophobicContact CD-CG 4.45Å
251	V	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.4	165.6	-175.6	0	0	0	0	109.8	V174 I176 V248 V263 K272 Q273 V274 T275	V174-V251 HydrophobicContact CB-CG2 4.45Å; V174-V251 HydrophobicContact CG1-CG1 4.46Å; V174-V251 CarbonylContact O-C 3.53Å; V174-V251 WeakPolarHBondContact O-CA 3.36Å; I176-V251 HydrophobicContact CD1-CG1 4.29Å; V248-V251 HydrophobicContact CG1-CG2 4.16Å; V251-V263 HydrophobicContact CG1-CG1 3.73Å; V251-K272 HydrophobicContact CG2-CD 4.04Å; V251-Q273 PolarHBondContact N-O 3.47Å; V251-V274 VanDerWaalsContact O-CA 3.29Å; V251-V274 WeakPolarHBondContact O-CA 3.01Å; V251-T275 PolarHBondContact O-N 2.93Å
252	S	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.6	169.3	179.2	0	0	0	0	108.9	V174 G175 I176 K189 T275 E491 Y500	V174-S252 PolarHBondContact O-N 3.27Å; G175-S252 CarbonylContact C-O 3.35Å; G175-S252 WeakPolarHBondContact CA-O 3.39Å; I176-S252 PolarHBondContact N-O 2.71Å; K189-S252 PolarHBondContact NZ-OG 3.23Å; S252-T275 WeakPolarHBondContact CA-O 3.21Å; S252-E491 PolarHBondContact OG-OE1 3.25Å; S252-Y500 WeakPolarHBondContact CB-OH 3.39Å
253	F	98.9	Very high	98.6	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.053	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.3	-174.7	172.4	-93.2	0	0	0	111.2	I176 T259 V263 T275 L276 E277 L278	I176-F253 HydrophobicContact CB-CD2 3.79Å; I176-F253 HydrophobicContact CD1-CD2 4.38Å; I176-F253 HydrophobicContact CG2-CD2 3.53Å; I176-F253 HydrophobicContact CG2-CE2 3.79Å; F253-T259 HydrophobicContact CE1-CG2 4.41Å; F253-T259 HydrophobicContact CE2-CG2 3.75Å; F253-T259 HydrophobicContact CZ-CG2 3.48Å; F253-T259 VanDerWaalsContact CZ-CG2 3.48Å; F253-V263 HydrophobicContact CB-CG1 4.05Å; F253-V263 HydrophobicContact CD2-CG2 3.85Å; F253-V263 HydrophobicContact CE2-CG2 4.2Å; F253-V263 HydrophobicContact CG-CG1 4.42Å; F253-V263 HydrophobicContact CG-CG2 4.14Å; F253-T275 PolarHBondContact N-O 2.84Å; F253-L276 HydrophobicContact CB-CD2 3.99Å; F253-L276 HydrophobicContact CD1-CD2 4.19Å; F253-E277 PolarHBondContact O-N 3.16Å; F253-L278 HydrophobicContact CD1-CD2 3.72Å; F253-L278 HydrophobicContact CE1-CD2 3.63Å
254	T	98.8	Very high	98.6	Very high	24 Å²	24	44 Å²	44	15%	0.147	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.4	167.8	-58.4	0	0	0	0	109.6	I176 A178 I185 K189 E277	I176-T254 PolarHBondContact O-N 2.96Å; A178-T254 HydrophobicContact CB-CG2 3.96Å; I185-T254 HydrophobicContact CD1-CG2 4.2Å; K189-T254 WeakPolarHBondContact CE-OG1 3.43Å; K189-T254 PolarHBondContact NZ-OG1 3Å; T254-E277 VanDerWaalsContact CA-O 3.26Å; T254-E277 WeakPolarHBondContact CA-O 3.06Å; T254-E277 HydrophobicContact CG2-CB 4.15Å
255	G	98.1	Very high	98.6	Very high	22 Å²	22	46.8 Å²	46.8	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-151.7	180	0	0	0	0	0	114.3	E277 L278 G279	G255-E277 PolarHBondContact N-O 3.15Å; G255-E277 VanDerWaalsContact N-O 3.09Å; G255-L278 VanDerWaalsContact O-CA 3.26Å; G255-L278 WeakPolarHBondContact O-CA 3.23Å; G255-G279 PolarHBondContact O-N 2.75Å
256	S	97.9	Very high	98.6	Very high	50 Å²	50	47.7 Å²	47.7	35%	0.35	26%	0.262	S	S	.	.			trans	-79.7	154	-175.7	70.1	0	0	0	0	113	T259 G260	S256-T259 PolarHBondContact O-N 3.17Å; S256-T259 PolarHBondContact OG-OG1 2.95Å; S256-G260 PolarHBondContact O-N 3.43Å
257	V	98.2	Very high	98.6	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-56.4	-47	177.5	176.1	0	0	0	0	113.5	T259 G260 K261 L278 Y440 M485	V257-T259 VanDerWaalsContact C-N 3.3Å; V257-T259 PolarHBondContact O-N 3.48Å; V257-G260 PolarHBondContact O-N 3.22Å; V257-K261 HydrophobicContact CG1-CD 4.45Å; V257-K261 WeakPolarHBondContact O-CG 3.44Å; V257-K261 PolarHBondContact O-N 3.04Å; V257-L278 HydrophobicContact CG2-CB 3.87Å; V257-L278 HydrophobicContact CG2-CD1 4.24Å; V257-Y440 HydrophobicContact CG2-CD1 4.31Å; V257-Y440 HydrophobicContact CG2-CE1 3.61Å; V257-M485 HydrophobicContact CG1-CB 4.3Å; V257-M485 VanDerWaalsContact CG2-O 3.3Å; V257-M485 WeakPolarHBondContact CG2-O 3.37Å
258	P	98.1	Very high	98.6	Very high	87 Å²	87	41.1 Å²	41.1	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-60.6	-38.1	179.6	-24.9	35.8	0	0	0	113.1	K262	P258-K262 PolarHBondContact O-N 3.36Å
259	T	98.4	Very high	98.5	Very high	65 Å²	65	48.6 Å²	48.6	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-73.7	-40.4	177.3	-57.2	0	0	0	0	111.2	F253 S256 V257 K261 K262 V263	F253-T259 HydrophobicContact CE1-CG2 4.41Å; F253-T259 HydrophobicContact CE2-CG2 3.75Å; F253-T259 HydrophobicContact CZ-CG2 3.48Å; F253-T259 VanDerWaalsContact CZ-CG2 3.48Å; S256-T259 PolarHBondContact O-N 3.17Å; S256-T259 PolarHBondContact OG-OG1 2.95Å; V257-T259 VanDerWaalsContact C-N 3.3Å; V257-T259 PolarHBondContact O-N 3.48Å; T259-K261 VanDerWaalsContact C-N 3.32Å; T259-K261 PolarHBondContact O-N 3.23Å; T259-K262 PolarHBondContact O-N 2.8Å; T259-K262 VanDerWaalsContact O-N 3.16Å; T259-V263 HydrophobicContact CG2-CG2 4.45Å; T259-V263 WeakPolarHBondContact O-CG2 3.46Å; T259-V263 PolarHBondContact O-N 2.77Å
260	G	98.6	Very high	98.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-41.3	176.3	0	0	0	0	0	113.2	S256 V257 V263 M264	S256-G260 PolarHBondContact O-N 3.43Å; V257-G260 PolarHBondContact O-N 3.22Å; G260-V263 PolarHBondContact O-N 3.22Å; G260-M264 PolarHBondContact O-N 2.85Å
261	K	98.7	Very high	98.4	Very high	98 Å²	98	55.6 Å²	55.6	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-48.7	173.6	-72.4	-179	178.6	-177.7	0	111.8	V257 T259 V263 M264 E265	V257-K261 HydrophobicContact CG1-CD 4.45Å; V257-K261 WeakPolarHBondContact O-CG 3.44Å; V257-K261 PolarHBondContact O-N 3.04Å; T259-K261 VanDerWaalsContact C-N 3.32Å; T259-K261 PolarHBondContact O-N 3.23Å; K261-V263 VanDerWaalsContact C-N 3.34Å; K261-V263 PolarHBondContact O-N 2.84Å; K261-M264 WeakPolarHBondContact O-CB 3.43Å; K261-M264 PolarHBondContact O-N 2.78Å; K261-E265 WeakPolarHBondContact O-CG 3.43Å; K261-E265 PolarHBondContact O-N 3.17Å
262	K	98.7	Very high	98.4	Very high	132 Å²	132	56.6 Å²	56.6	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-40.8	176.6	-66.1	178.5	-179.2	-176.9	0	112.1	P258 T259 M264 E265 M266	P258-K262 PolarHBondContact O-N 3.36Å; T259-K262 PolarHBondContact O-N 2.8Å; T259-K262 VanDerWaalsContact O-N 3.16Å; K262-M264 VanDerWaalsContact C-N 3.33Å; K262-M264 PolarHBondContact O-N 2.86Å; K262-E265 PolarHBondContact O-N 2.87Å; K262-M266 WeakPolarHBondContact O-CB 3.47Å; K262-M266 WeakPolarHBondContact O-CE 3.35Å; K262-M266 VanDerWaalsContact O-CG 3.23Å; K262-M266 WeakPolarHBondContact O-CG 3.35Å; K262-M266 PolarHBondContact O-N 3.27Å
263	V	98.8	Very high	98.4	Very high	5 Å²	5	60 Å²	60	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-44.2	176.1	168.1	0	0	0	0	111	V251 F253 T259 G260 K261 M266 S267 L276	V251-V263 HydrophobicContact CG1-CG1 3.73Å; F253-V263 HydrophobicContact CB-CG1 4.05Å; F253-V263 HydrophobicContact CD2-CG2 3.85Å; F253-V263 HydrophobicContact CE2-CG2 4.2Å; F253-V263 HydrophobicContact CG-CG1 4.42Å; F253-V263 HydrophobicContact CG-CG2 4.14Å; T259-V263 HydrophobicContact CG2-CG2 4.45Å; T259-V263 WeakPolarHBondContact O-CG2 3.46Å; T259-V263 PolarHBondContact O-N 2.77Å; G260-V263 PolarHBondContact O-N 3.22Å; K261-V263 VanDerWaalsContact C-N 3.34Å; K261-V263 PolarHBondContact O-N 2.84Å; V263-M266 HydrophobicContact CG2-CE 4.27Å; V263-M266 PolarHBondContact O-N 3.14Å; V263-S267 VanDerWaalsContact O-CB 3.24Å; V263-S267 WeakPolarHBondContact O-CB 3.45Å; V263-S267 PolarHBondContact O-N 2.89Å; V263-S267 PolarHBondContact O-OG 2.83Å; V263-L276 HydrophobicContact CG1-CD2 4.42Å
264	M	98.8	Very high	98.4	Very high	92 Å²	92	60.5 Å²	60.5	45%	0.453	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-47.6	176.3	-173.4	178.2	179.5	0	0	111.8	G260 K261 K262 M266 S267 A268 L276 F488	G260-M264 PolarHBondContact O-N 2.85Å; K261-M264 WeakPolarHBondContact O-CB 3.43Å; K261-M264 PolarHBondContact O-N 2.78Å; K262-M264 VanDerWaalsContact C-N 3.33Å; K262-M264 PolarHBondContact O-N 2.86Å; M264-M266 VanDerWaalsContact C-N 3.34Å; M264-M266 PolarHBondContact O-N 3.49Å; M264-S267 PolarHBondContact O-N 2.82Å; M264-A268 PolarHBondContact O-N 3.27Å; M264-L276 HydrophobicContact CB-CD1 4.27Å; M264-L276 HydrophobicContact SD-CD1 4.45Å; M264-F488 HydrophobicContact CE-CE1 4.11Å; M264-F488 HydrophobicContact CE-CZ 3.98Å; M264-F488 HydrophobicContact SD-CE1 3.75Å; M264-F488 HydrophobicContact SD-CZ 3.88Å
265	E	98.8	Very high	98.4	Very high	129 Å²	129	59.4 Å²	59.4	60%	0.603	33%	0.33	S	S	*	.	H	α-helix	trans	-56.8	-45.9	176.1	-71.6	163.8	-164.9	0	0	111.8	K261 K262 S267 A268	K261-E265 WeakPolarHBondContact O-CG 3.43Å; K261-E265 PolarHBondContact O-N 3.17Å; K262-E265 PolarHBondContact O-N 2.87Å; E265-S267 VanDerWaalsContact C-N 3.34Å; E265-S267 PolarHBondContact O-N 2.82Å; E265-A268 WeakPolarHBondContact O-CB 3.37Å; E265-A268 PolarHBondContact O-N 3.16Å
266	M	98.6	Very high	98.4	Very high	33 Å²	33	58.6 Å²	58.6	16%	0.163	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-36.9	178.9	-71.2	-174.9	-61.7	0	0	112.6	T240 C243 H244 K262 V263 M264 A268	T240-M266 HydrophobicContact CG2-SD 3.64Å; C243-M266 HydrophobicContact CB-CB 3.84Å; C243-M266 HydrophobicContact CB-CE 4.23Å; H244-M266 PolarHBondContact CE1-O 2.77Å; H244-M266 PolarHBondContact ND1-O 3.33Å; K262-M266 WeakPolarHBondContact O-CB 3.47Å; K262-M266 WeakPolarHBondContact O-CE 3.35Å; K262-M266 VanDerWaalsContact O-CG 3.23Å; K262-M266 WeakPolarHBondContact O-CG 3.35Å; K262-M266 PolarHBondContact O-N 3.27Å; V263-M266 HydrophobicContact CG2-CE 4.27Å; V263-M266 PolarHBondContact O-N 3.14Å; M264-M266 VanDerWaalsContact C-N 3.34Å; M264-M266 PolarHBondContact O-N 3.49Å; M266-A268 VanDerWaalsContact C-N 3.34Å
267	S	98.6	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-28	-179.7	-62.2	0	0	0	0	112.5	V263 M264 E265 K269 G270 V271 K272	V263-S267 VanDerWaalsContact O-CB 3.24Å; V263-S267 WeakPolarHBondContact O-CB 3.45Å; V263-S267 PolarHBondContact O-N 2.89Å; V263-S267 PolarHBondContact O-OG 2.83Å; M264-S267 PolarHBondContact O-N 2.82Å; E265-S267 VanDerWaalsContact C-N 3.34Å; E265-S267 PolarHBondContact O-N 2.82Å; S267-K269 PolarHBondContact O-N 2.87Å; S267-G270 PolarHBondContact O-N 3.04Å; S267-G270 VanDerWaalsContact O-N 3.16Å; S267-V271 PolarHBondContact O-N 3.35Å; S267-K272 PolarHBondContact O-N 3.03Å
268	A	98.6	Very high	98.5	Very high	64 Å²	64	56.5 Å²	56.5	53%	0.529	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-32.4	178.7	0	0	0	0	0	113.1	M264 E265 M266 G270 V271	M264-A268 PolarHBondContact O-N 3.27Å; E265-A268 WeakPolarHBondContact O-CB 3.37Å; E265-A268 PolarHBondContact O-N 3.16Å; M266-A268 VanDerWaalsContact C-N 3.34Å; A268-G270 PolarHBondContact O-N 3.17Å; A268-G270 VanDerWaalsContact O-N 3.15Å; A268-V271 PolarHBondContact O-N 3.48Å
269	K	97.4	Very high	98.4	Very high	164 Å²	164	52.5 Å²	52.5	71%	0.713	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31	177.2	-65.8	-173.4	-173	169.6	0	113.4	H244 S267	H244-K269 PolarHBondContact CE1-NZ 2.67Å; H244-K269 PolarHBondContact NE2-NZ 3.22Å; S267-K269 PolarHBondContact O-N 2.87Å
270	G	97.2	Very high	98.3	Very high	43 Å²	43	49.5 Å²	49.5	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	9.6	176.8	0	0	0	0	0	113.8	S267 A268 K272	S267-G270 PolarHBondContact O-N 3.04Å; S267-G270 VanDerWaalsContact O-N 3.16Å; A268-G270 PolarHBondContact O-N 3.17Å; A268-G270 VanDerWaalsContact O-N 3.15Å; G270-K272 PolarHBondContact O-N 2.68Å; G270-K272 VanDerWaalsContact O-N 3.12Å
271	V	98.3	Very high	98.3	Very high	136 Å²	136	49.7 Å²	49.7	82%	0.824	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	39.5	-175.6	-159.1	0	0	0	0	111.9	S267 A268	S267-V271 PolarHBondContact O-N 3.35Å; A268-V271 PolarHBondContact O-N 3.48Å
272	K	98.6	Very high	98.3	Very high	21 Å²	21	45.1 Å²	45.1	9%	0.091	24%	0.242	C	C	.	.			trans	-73.4	148.3	-175.5	-61	-178.3	170.7	74.9	0	110.5	C243 H245 V248 V251 S267 G270	C243-K272 VanDerWaalsContact O-CE 3.24Å; C243-K272 WeakPolarHBondContact O-CE 3.44Å; C243-K272 PolarHBondContact O-NZ 3.02Å; H245-K272 WeakPolarHBondContact O-CE 3.23Å; H245-K272 PolarHBondContact O-NZ 3.34Å; V248-K272 HydrophobicContact CB-CD 4.28Å; V248-K272 HydrophobicContact CG1-CD 3.99Å; V248-K272 WeakPolarHBondContact O-CD 3.25Å; V248-K272 WeakPolarHBondContact O-CE 3.37Å; V251-K272 HydrophobicContact CG2-CD 4.04Å; S267-K272 PolarHBondContact O-N 3.03Å; G270-K272 PolarHBondContact O-N 2.68Å; G270-K272 VanDerWaalsContact O-N 3.12Å
273	Q	98.6	Very high	98.3	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138	166.1	-66.8	-167.3	8.2	0	0	109.9	A249 K250 V251	A249-Q273 PolarHBondContact O-N 2.88Å; A249-Q273 VanDerWaalsContact O-N 3.13Å; K250-Q273 CarbonylContact C-O 3.49Å; K250-Q273 VanDerWaalsContact CA-O 3.25Å; K250-Q273 WeakPolarHBondContact CA-O 3.17Å; K250-Q273 HydrophobicContact CB-CB 4.29Å; K250-Q273 HydrophobicContact CG-CB 4.24Å; V251-Q273 PolarHBondContact N-O 3.47Å
274	V	98.8	Very high	98.3	Very high	22 Å²	22	39 Å²	39	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.3	-179	-175.2	0	0	0	0	110.2	V251 L276 F488	V251-V274 VanDerWaalsContact O-CA 3.29Å; V251-V274 WeakPolarHBondContact O-CA 3.01Å; V274-L276 HydrophobicContact CG1-CD1 4.46Å; V274-L276 HydrophobicContact CG1-CD2 3.5Å; V274-L276 HydrophobicContact CG1-CG 3.71Å; V274-F488 HydrophobicContact CB-CE2 4.2Å; V274-F488 HydrophobicContact CB-CZ 4.23Å; V274-F488 HydrophobicContact CG1-CE2 4.45Å; V274-F488 HydrophobicContact CG1-CZ 4.23Å; V274-F488 VanDerWaalsContact O-CE2 3.22Å; V274-F488 WeakPolarHBondContact O-CE2 3.44Å
275	T	98.9	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.7	163.2	-61.9	0	0	0	0	107.5	K250 V251 S252 F253	K250-T275 PolarHBondContact NZ-OG1 2.79Å; V251-T275 PolarHBondContact O-N 2.93Å; S252-T275 WeakPolarHBondContact CA-O 3.21Å; F253-T275 PolarHBondContact N-O 2.84Å
276	L	98.9	Very high	98.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.9	179.3	-60.3	-177.3	0	0	0	109.1	F253 V263 M264 V274 L278 G487 F488	F253-L276 HydrophobicContact CB-CD2 3.99Å; F253-L276 HydrophobicContact CD1-CD2 4.19Å; V263-L276 HydrophobicContact CG1-CD2 4.42Å; M264-L276 HydrophobicContact CB-CD1 4.27Å; M264-L276 HydrophobicContact SD-CD1 4.45Å; V274-L276 HydrophobicContact CG1-CD1 4.46Å; V274-L276 HydrophobicContact CG1-CD2 3.5Å; V274-L276 HydrophobicContact CG1-CG 3.71Å; L276-L278 HydrophobicContact CB-CD1 4.08Å; L276-L278 HydrophobicContact CB-CD2 4.22Å; L276-L278 HydrophobicContact CB-CG 3.98Å; L276-L278 HydrophobicContact CD1-CD1 4.2Å; L276-G487 CarbonylContact O-C 3.52Å; L276-G487 WeakPolarHBondContact O-CA 3.44Å; L276-F488 HydrophobicContact CD1-CD1 4.31Å; L276-F488 HydrophobicContact CD1-CE1 3.59Å; L276-F488 HydrophobicContact CD1-CZ 4Å; L276-F488 HydrophobicContact CG-CE1 4.05Å; L276-F488 HydrophobicContact CG-CZ 4.12Å; L276-F488 PolarHBondContact N-O 2.94Å; L276-F488 PolarHBondContact O-N 2.75Å
277	E	98.6	Very high	98.4	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	97.7	170.1	-74	-61	138.3	0	0	108.1	F253 T254 G255 F480 G481 E491	F253-E277 PolarHBondContact O-N 3.16Å; T254-E277 VanDerWaalsContact CA-O 3.26Å; T254-E277 WeakPolarHBondContact CA-O 3.06Å; T254-E277 HydrophobicContact CG2-CB 4.15Å; G255-E277 PolarHBondContact N-O 3.15Å; G255-E277 VanDerWaalsContact N-O 3.09Å; E277-F480 WeakPolarHBondContact OE2-CE1 3.38Å; E277-G481 WeakPolarHBondContact OE1-CA 3.34Å; E277-G481 WeakPolarHBondContact OE2-CA 3.48Å; E277-E491 HydrophobicContact CG-CG 3.91Å
278	L	98.6	Very high	98.4	Very high	8 Å²	8	32 Å²	32	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	176.7	-169.9	-50.2	173.4	0	0	0	112.1	F253 G255 V257 L276 M485 S486	F253-L278 HydrophobicContact CD1-CD2 3.72Å; F253-L278 HydrophobicContact CE1-CD2 3.63Å; G255-L278 VanDerWaalsContact O-CA 3.26Å; G255-L278 WeakPolarHBondContact O-CA 3.23Å; V257-L278 HydrophobicContact CG2-CB 3.87Å; V257-L278 HydrophobicContact CG2-CD1 4.24Å; L276-L278 HydrophobicContact CB-CD1 4.08Å; L276-L278 HydrophobicContact CB-CD2 4.22Å; L276-L278 HydrophobicContact CB-CG 3.98Å; L276-L278 HydrophobicContact CD1-CD1 4.2Å; L278-M485 WeakPolarHBondContact CD1-O 3.16Å; L278-S486 WeakPolarHBondContact CB-O 3.43Å; L278-S486 PolarHBondContact N-O 3.23Å
279	G	95.4	Very high	98.4	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	17%	0.167	C	C	.	.			trans	-62.1	175.7	179.3	0	0	0	0	0	114.7	G255 E414 Y440 S486	G255-G279 PolarHBondContact O-N 2.75Å; G279-E414 WeakPolarHBondContact CA-OE1 3.24Å; G279-Y440 VanDerWaalsContact O-CD1 3.31Å; G279-Y440 WeakPolarHBondContact O-CD1 3.48Å; G279-S486 WeakPolarHBondContact O-CB 3.32Å; G279-S486 PolarHBondContact O-OG 3.1Å
280	G	97.5	Very high	98.5	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	14%	0.139	C	C	.	.			trans	-147.1	164.5	-175.8	0	0	0	0	0	114.2	E414	G280-E414 PolarHBondContact N-OE1 2.82Å
281	K	98.7	Very high	98.5	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.013	13%	0.13	C	C	.	.			trans	-131.5	53.9	165.5	-163.6	62.5	-177.8	170.6	0	110.1	T315 R316 C410 V411 E413 Y440	K281-T315 WeakPolarHBondContact CD-OG1 3.49Å; K281-T315 WeakPolarHBondContact CE-OG1 3.33Å; K281-T315 PolarHBondContact NZ-OG1 3.39Å; K281-R316 HydrophobicContact CD-CG 4.3Å; K281-R316 HydrophobicContact CG-CG 4.02Å; K281-R316 VanDerWaalsContact O-CZ 3.27Å; K281-R316 PolarHBondContact O-NE 2.9Å; K281-R316 PolarHBondContact O-NH2 2.88Å; K281-C410 VanDerWaalsContact CE-O 3.26Å; K281-C410 WeakPolarHBondContact CE-O 3.23Å; K281-C410 PolarHBondContact NZ-O 3.42Å; K281-V411 VanDerWaalsContact CE-C 3.5Å; K281-V411 WeakPolarHBondContact CE-O 3.44Å; K281-V411 VanDerWaalsContact CG-O 3.28Å; K281-V411 WeakPolarHBondContact CG-O 3.43Å; K281-E413 WeakPolarHBondContact CD-O 3.48Å; K281-E413 WeakPolarHBondContact CE-O 3.42Å; K281-E413 PolarHBondContact NZ-O 3.19Å; K281-Y440 HydrophobicContact CB-CD2 3.67Å; K281-Y440 HydrophobicContact CB-CE2 4.33Å; K281-Y440 HydrophobicContact CB-CG 4.23Å
282	S	98.9	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	11%	0.105	C	C	.	.			trans	-57.8	133.8	-168.6	-52.1	0	0	0	0	112.2	C312 N313 G314 T315 R316 A443 Y471	S282-C312 WeakPolarHBondContact CB-O 3.33Å; S282-C312 PolarHBondContact OG-O 3.4Å; S282-N313 WeakPolarHBondContact CB-O 3.08Å; S282-G314 CarbonylContact O-C 3.6Å; S282-G314 WeakPolarHBondContact O-CA 3.08Å; S282-T315 PolarHBondContact O-N 3.42Å; S282-R316 PolarHBondContact O-N 3.22Å; S282-A443 WeakPolarHBondContact CA-O 3.48Å; S282-A443 WeakPolarHBondContact CB-O 2.84Å; S282-A443 PolarHBondContact OG-N 2.72Å; S282-A443 PolarHBondContact OG-O 2.72Å; S282-Y471 VanDerWaalsContact CB-OH 3.31Å; S282-Y471 WeakPolarHBondContact CB-OH 3.27Å
283	P	98.9	Very high	98.6	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.6	173.7	33.3	-31.1	0	0	0	111.3	R316 F318 A435 A443 S444 G445 L461	P283-R316 WeakPolarHBondContact CA-O 3.32Å; P283-F318 HydrophobicContact CB-CD2 4.11Å; P283-F318 HydrophobicContact CB-CE2 3.87Å; P283-A435 HydrophobicContact CB-CB 3.72Å; P283-A435 HydrophobicContact CG-CB 3.79Å; P283-A443 WeakPolarHBondContact CD-O 3.39Å; P283-S444 CarbonylContact O-C 3.49Å; P283-S444 VanDerWaalsContact O-CA 3.26Å; P283-S444 WeakPolarHBondContact O-CA 3.17Å; P283-G445 PolarHBondContact O-N 3.11Å; P283-L461 HydrophobicContact CG-CD2 4.42Å
284	L	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.4	166.5	172.8	58.2	0	0	0	108.5	I286 A299 A302 R316 V317 F318 G445 F447 Y471	L284-I286 HydrophobicContact CD2-CD1 4.36Å; L284-I286 HydrophobicContact CG-CD1 4.39Å; L284-I286 HydrophobicContact CG-CG1 4.22Å; L284-A299 HydrophobicContact CD2-CB 3.95Å; L284-A302 HydrophobicContact CD2-CB 4.16Å; L284-R316 PolarHBondContact N-O 3.19Å; L284-V317 HydrophobicContact CB-CG2 4.43Å; L284-V317 HydrophobicContact CD2-CG1 4.36Å; L284-V317 HydrophobicContact CD2-CG2 4.32Å; L284-V317 HydrophobicContact CG-CG1 4.49Å; L284-V317 CarbonylContact O-C 3.54Å; L284-V317 WeakPolarHBondContact O-CA 3.32Å; L284-F318 PolarHBondContact O-N 3.45Å; L284-G445 WeakPolarHBondContact CA-O 3.47Å; L284-F447 HydrophobicContact CD1-CD2 3.68Å; L284-F447 HydrophobicContact CD1-CE2 3.78Å; L284-Y471 HydrophobicContact CB-CE2 4.23Å; L284-Y471 HydrophobicContact CD1-CD2 3.82Å; L284-Y471 HydrophobicContact CD1-CE2 4.01Å
285	I	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	-176.6	-57.6	175	0	0	0	109.6	F287 F318 F425 V431 A435 G445 V446 F447 V457 L461	I285-F287 HydrophobicContact CG2-CD2 3.98Å; I285-F287 HydrophobicContact CG2-CE2 3.49Å; I285-F287 VanDerWaalsContact CG2-CE2 3.49Å; I285-F287 HydrophobicContact CG2-CZ 3.88Å; I285-F318 CarbonylContact C-O 3.56Å; I285-F318 WeakPolarHBondContact CA-O 3.46Å; I285-F318 HydrophobicContact CG1-CB 4.4Å; I285-F318 HydrophobicContact CG1-CD2 4.49Å; I285-F425 HydrophobicContact CG2-CE1 3.98Å; I285-F425 HydrophobicContact CG2-CZ 3.89Å; I285-V431 HydrophobicContact CD1-CG1 4.16Å; I285-V431 HydrophobicContact CD1-CG2 3.91Å; I285-V431 HydrophobicContact CG1-CG2 3.87Å; I285-V431 HydrophobicContact CG2-CG1 3.97Å; I285-V431 HydrophobicContact CG2-CG2 4Å; I285-A435 HydrophobicContact CD1-CB 4.1Å; I285-G445 PolarHBondContact N-O 2.65Å; I285-V446 CarbonylContact O-C 3.56Å; I285-V446 VanDerWaalsContact O-CA 3.28Å; I285-V446 WeakPolarHBondContact O-CA 3.26Å; I285-F447 PolarHBondContact O-N 3.17Å; I285-V457 HydrophobicContact CD1-CG1 4.19Å; I285-L461 HydrophobicContact CD1-CD1 4.3Å; I285-L461 HydrophobicContact CD1-CD2 4.05Å
286	I	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.4	-177.6	-56.6	176.9	0	0	0	108.6	L284 C290 A295 V317 F318 V319 Q320 I323 F327 F425 F447	L284-I286 HydrophobicContact CD2-CD1 4.36Å; L284-I286 HydrophobicContact CG-CD1 4.39Å; L284-I286 HydrophobicContact CG-CG1 4.22Å; I286-C290 HydrophobicContact CG2-CB 4.31Å; I286-C290 VanDerWaalsContact CG2-SG 3.51Å; I286-A295 HydrophobicContact CD1-CB 4.17Å; I286-A295 HydrophobicContact CG1-CB 4.43Å; I286-A295 HydrophobicContact CG2-CB 3.7Å; I286-V317 HydrophobicContact CD1-CG1 3.75Å; I286-F318 PolarHBondContact N-O 3Å; I286-V319 HydrophobicContact CB-CG2 4.43Å; I286-V319 HydrophobicContact CD1-CG2 4.29Å; I286-Q320 PolarHBondContact O-N 3.32Å; I286-I323 HydrophobicContact CG2-CD1 3.95Å; I286-F327 HydrophobicContact CD1-CD2 4.22Å; I286-F327 HydrophobicContact CD1-CE2 3.5Å; I286-F327 VanDerWaalsContact CD1-CE2 3.5Å; I286-F327 HydrophobicContact CD1-CZ 3.9Å; I286-F425 WeakPolarHBondContact O-CE1 3.34Å; I286-F447 HydrophobicContact CG1-CB 4.39Å; I286-F447 HydrophobicContact CG2-CB 4.4Å
287	F	98.9	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.			trans	-82.5	156.1	177.3	-72.6	-82.7	0	0	0	111.9	I285 D289 C290 F425 E428 V431 V446 F447 R453 V457	I285-F287 HydrophobicContact CG2-CD2 3.98Å; I285-F287 HydrophobicContact CG2-CE2 3.49Å; I285-F287 VanDerWaalsContact CG2-CE2 3.49Å; I285-F287 HydrophobicContact CG2-CZ 3.88Å; F287-D289 WeakPolarHBondContact CB-OD1 3.39Å; F287-D289 PolarHBondContact O-N 3Å; F287-C290 WeakPolarHBondContact O-CB 3.3Å; F287-C290 PolarHBondContact O-N 3.31Å; F287-C290 PolarHBondContact O-SG 3Å; F287-F425 AromaticContact CD1-CE2 3.88Å; F287-F425 HydrophobicContact CD1-CE2 3.88Å; F287-F425 AromaticContact CD1-CZ 3.74Å; F287-F425 HydrophobicContact CD1-CZ 3.74Å; F287-F425 AromaticContact CE1-CE2 3.65Å; F287-F425 HydrophobicContact CE1-CE2 3.65Å; F287-F425 AromaticContact CE1-CZ 3.82Å; F287-F425 HydrophobicContact CE1-CZ 3.82Å; F287-F425 HydrophobicContact CG-CZ 4.24Å; F287-F425 HydrophobicContact CZ-CE2 4.37Å; F287-F425 HydrophobicContact CZ-CZ 4.33Å; F287-E428 HydrophobicContact CE1-CB 4.07Å; F287-E428 HydrophobicContact CE1-CG 4.31Å; F287-E428 HydrophobicContact CZ-CB 4.21Å; F287-E428 HydrophobicContact CZ-CG 3.97Å; F287-V431 HydrophobicContact CZ-CG1 4.27Å; F287-V446 HydrophobicContact CD2-CG2 3.87Å; F287-V446 HydrophobicContact CE2-CG2 3.7Å; F287-F447 PolarHBondContact N-O 3.2Å; F287-R453 HydrophobicContact CE2-CG 4.21Å; F287-R453 HydrophobicContact CZ-CG 4.32Å; F287-V457 HydrophobicContact CE2-CG2 3.92Å; F287-V457 HydrophobicContact CZ-CG2 3.97Å
288	K	98.8	Very high	98.5	Very high	107 Å²	107	27.3 Å²	27.3	47%	0.465	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.6	-178.2	72.4	-173.4	174.8	-177.3	0	115	C290 Q320 E322 I323	K288-C290 VanDerWaalsContact C-N 3.27Å; K288-Q320 HydrophobicContact CB-CB 4.32Å; K288-Q320 VanDerWaalsContact CG-OE1 3.27Å; K288-E322 HydrophobicContact CD-CB 4.45Å; K288-E322 HydrophobicContact CD-CG 4.44Å; K288-E322 WeakPolarHBondContact CD-OE1 3.45Å; K288-E322 IonicContact NZ-OE1 2.71Å; K288-E322 PolarHBondContact NZ-OE1 3.3Å; K288-I323 HydrophobicContact CB-CG1 4.34Å; K288-I323 HydrophobicContact CB-CG2 3.9Å
289	D	98.8	Very high	98.6	Very high	48 Å²	48	26.9 Å²	26.9	26%	0.257	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	176.8	76.9	-49.2	0	0	0	112.8	F287 T448 R449 D450	F287-D289 WeakPolarHBondContact CB-OD1 3.39Å; F287-D289 PolarHBondContact O-N 3Å; D289-T448 WeakPolarHBondContact OD1-CB 3.3Å; D289-T448 PolarHBondContact OD1-OG1 2.99Å; D289-T448 PolarHBondContact OD2-OG1 3.21Å; D289-R449 WeakPolarHBondContact O-CB 3.41Å; D289-R449 WeakPolarHBondContact O-CG 3.2Å; D289-R449 PolarHBondContact OD2-N 3.18Å; D289-D450 PolarHBondContact OD2-N 3.31Å
290	C	98.8	Very high	98.7	Very high	18 Å²	18	28.3 Å²	28.3	12%	0.122	14%	0.137	C	C	.	.	S	Bend	trans	-64.5	163.3	178.8	74	0	0	0	0	112.6	I286 F287 K288 L292 A295 F447	I286-C290 HydrophobicContact CG2-CB 4.31Å; I286-C290 VanDerWaalsContact CG2-SG 3.51Å; F287-C290 WeakPolarHBondContact O-CB 3.3Å; F287-C290 PolarHBondContact O-N 3.31Å; F287-C290 PolarHBondContact O-SG 3Å; K288-C290 VanDerWaalsContact C-N 3.27Å; C290-L292 PolarHBondContact O-N 3.22Å; C290-A295 HydrophobicContact CB-CB 4.43Å; C290-F447 HydrophobicContact CB-CB 3.97Å
291	D	98.7	Very high	98.7	Very high	48 Å²	48	32.3 Å²	32.3	26%	0.257	16%	0.156	S	C	.	.			trans	-76	105	158.5	-174.2	-71.3	0	0	0	109.2	E293 N294 A295 R449	D291-E293 VanDerWaalsContact C-N 3.29Å; D291-E293 PolarHBondContact O-N 3.31Å; D291-E293 PolarHBondContact OD1-N 2.86Å; D291-N294 HydrophobicContact CB-CB 4.16Å; D291-N294 PolarHBondContact O-N 3.24Å; D291-N294 WeakPolarHBondContact OD1-CB 3.24Å; D291-N294 PolarHBondContact OD1-N 2.98Å; D291-N294 PolarHBondContact OD1-ND2 3.08Å; D291-N294 PolarHBondContact OD2-ND2 3.4Å; D291-A295 WeakPolarHBondContact O-CB 3.06Å; D291-A295 PolarHBondContact O-N 2.8Å; D291-R449 VanDerWaalsContact CB-NH2 3.27Å; D291-R449 IonicContact OD2-CZ 3.9Å; D291-R449 IonicContact OD2-NH2 3.02Å; D291-R449 PolarHBondContact OD2-NH2 3.38Å
292	L	98.6	Very high	98.7	Very high	57 Å²	57	32.1 Å²	32.1	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-60	-39.2	-171.9	-176.6	60.9	0	0	0	112.4	C290 A295 I296 Q326 F327	C290-L292 PolarHBondContact O-N 3.22Å; L292-A295 PolarHBondContact O-N 2.85Å; L292-I296 HydrophobicContact CD1-CD1 4.09Å; L292-I296 HydrophobicContact CD1-CG1 4.31Å; L292-I296 HydrophobicContact CG-CD1 3.85Å; L292-I296 WeakPolarHBondContact O-CD1 3.24Å; L292-I296 VanDerWaalsContact O-CG1 3.24Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 2.89Å; L292-Q326 HydrophobicContact CD2-CB 3.92Å; L292-F327 HydrophobicContact CD1-CB 4.16Å; L292-F327 HydrophobicContact CD1-CD2 4.14Å
293	E	98.6	Very high	98.7	Very high	62 Å²	62	32.1 Å²	32.1	29%	0.29	16%	0.155	S	C	.	.	H	α-helix	trans	-60.6	-48.9	177.6	172.5	58.9	-157.9	0	0	111.4	D291 I296 R297 R334	D291-E293 VanDerWaalsContact C-N 3.29Å; D291-E293 PolarHBondContact O-N 3.31Å; D291-E293 PolarHBondContact OD1-N 2.86Å; E293-I296 PolarHBondContact O-N 3.43Å; E293-R297 WeakPolarHBondContact O-CG 3.39Å; E293-R297 PolarHBondContact O-N 3.39Å; E293-R297 IonicContact OE1-CZ 3.75Å; E293-R297 VanDerWaalsContact OE1-CZ 3.22Å; E293-R297 IonicContact OE1-NE 3.35Å; E293-R297 PolarHBondContact OE1-NE 3.46Å; E293-R297 IonicContact OE1-NH2 3.39Å; E293-R297 PolarHBondContact OE1-NH2 2.72Å; E293-R334 IonicContact OE1-CZ 3.92Å; E293-R334 IonicContact OE1-NH1 3.84Å; E293-R334 PolarHBondContact OE1-NH1 2.91Å; E293-R334 IonicContact OE1-NH2 3.72Å; E293-R334 PolarHBondContact OE1-NH2 2.68Å; E293-R334 IonicContact OE2-CZ 2.84Å; E293-R334 IonicContact OE2-NH1 2.72Å; E293-R334 PolarHBondContact OE2-NH1 3.11Å; E293-R334 IonicContact OE2-NH2 2.58Å; E293-R334 PolarHBondContact OE2-NH2 2.67Å
294	N	98.6	Very high	98.7	Very high	64 Å²	64	32.2 Å²	32.2	34%	0.342	16%	0.155	S	C	.	.	H	α-helix	trans	-68.4	-35.7	177.5	-74.8	-55.7	0	0	0	112.3	D291 I296 R297 G298 F447	D291-N294 HydrophobicContact CB-CB 4.16Å; D291-N294 PolarHBondContact O-N 3.24Å; D291-N294 WeakPolarHBondContact OD1-CB 3.24Å; D291-N294 PolarHBondContact OD1-N 2.98Å; D291-N294 PolarHBondContact OD1-ND2 3.08Å; D291-N294 PolarHBondContact OD2-ND2 3.4Å; N294-I296 VanDerWaalsContact C-N 3.34Å; N294-I296 PolarHBondContact O-N 3.18Å; N294-R297 PolarHBondContact O-N 3.21Å; N294-G298 PolarHBondContact O-N 2.8Å; N294-F447 HydrophobicContact CB-CE1 4.26Å; N294-F447 WeakPolarHBondContact O-CE1 3.12Å
295	A	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-39.7	175.5	0	0	0	0	0	112	I286 C290 D291 L292 G298 A299 F447	I286-A295 HydrophobicContact CD1-CB 4.17Å; I286-A295 HydrophobicContact CG1-CB 4.43Å; I286-A295 HydrophobicContact CG2-CB 3.7Å; C290-A295 HydrophobicContact CB-CB 4.43Å; D291-A295 WeakPolarHBondContact O-CB 3.06Å; D291-A295 PolarHBondContact O-N 2.8Å; L292-A295 PolarHBondContact O-N 2.85Å; A295-G298 PolarHBondContact O-N 2.8Å; A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3Å; A295-F447 HydrophobicContact CB-CB 4.13Å; A295-F447 HydrophobicContact CB-CD1 3.91Å; A295-F447 HydrophobicContact CB-CG 4.02Å
296	I	98.8	Very high	98.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-65.4	-45.9	174.1	-68.8	159.5	0	0	0	110.7	L292 E293 N294 G298 A299 L300 F327 E330	L292-I296 HydrophobicContact CD1-CD1 4.09Å; L292-I296 HydrophobicContact CD1-CG1 4.31Å; L292-I296 HydrophobicContact CG-CD1 3.85Å; L292-I296 WeakPolarHBondContact O-CD1 3.24Å; L292-I296 VanDerWaalsContact O-CG1 3.24Å; L292-I296 WeakPolarHBondContact O-CG1 3.42Å; L292-I296 PolarHBondContact O-N 2.89Å; E293-I296 PolarHBondContact O-N 3.43Å; N294-I296 VanDerWaalsContact C-N 3.34Å; N294-I296 PolarHBondContact O-N 3.18Å; I296-G298 VanDerWaalsContact C-N 3.31Å; I296-G298 PolarHBondContact O-N 2.81Å; I296-A299 PolarHBondContact O-N 2.96Å; I296-L300 HydrophobicContact CG2-CD1 4.12Å; I296-L300 HydrophobicContact CG2-CG 4.49Å; I296-L300 VanDerWaalsContact O-CG 3.31Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 2.8Å; I296-F327 HydrophobicContact CG1-CD2 3.82Å; I296-F327 HydrophobicContact CG1-CE2 3.97Å; I296-E330 HydrophobicContact CD1-CB 3.71Å; I296-E330 HydrophobicContact CD1-CG 3.61Å
297	R	98.6	Very high	98.6	Very high	135 Å²	135	33.9 Å²	33.9	51%	0.509	16%	0.164	S	C	.	.	H	α-helix	trans	-57.5	-45.9	174.2	-70	176.3	-172.1	-173.9	2.2	111.4	E293 N294 L300 M301	E293-R297 WeakPolarHBondContact O-CG 3.39Å; E293-R297 PolarHBondContact O-N 3.39Å; E293-R297 IonicContact OE1-CZ 3.75Å; E293-R297 VanDerWaalsContact OE1-CZ 3.22Å; E293-R297 IonicContact OE1-NE 3.35Å; E293-R297 PolarHBondContact OE1-NE 3.46Å; E293-R297 IonicContact OE1-NH2 3.39Å; E293-R297 PolarHBondContact OE1-NH2 2.72Å; N294-R297 PolarHBondContact O-N 3.21Å; R297-L300 PolarHBondContact O-N 3.46Å; R297-M301 WeakPolarHBondContact O-CB 3.21Å; R297-M301 VanDerWaalsContact O-CG 3.3Å; R297-M301 WeakPolarHBondContact O-CG 3.47Å; R297-M301 PolarHBondContact O-N 3.45Å
298	G	98.7	Very high	98.5	Very high	5 Å²	5	34 Å²	34	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-48.1	175.8	0	0	0	0	0	112	N294 A295 I296 L300 M301 A302	N294-G298 PolarHBondContact O-N 2.8Å; A295-G298 PolarHBondContact O-N 2.8Å; I296-G298 VanDerWaalsContact C-N 3.31Å; I296-G298 PolarHBondContact O-N 2.81Å; G298-L300 PolarHBondContact O-N 2.95Å; G298-M301 PolarHBondContact O-N 3.29Å; G298-A302 WeakPolarHBondContact O-CB 3.43Å; G298-A302 PolarHBondContact O-N 2.81Å
299	A	98.8	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-42.6	178.6	0	0	0	0	0	112.9	L284 A295 I296 A302 N303 F327 M420	L284-A299 HydrophobicContact CD2-CB 3.95Å; A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3Å; I296-A299 PolarHBondContact O-N 2.96Å; A299-A302 PolarHBondContact O-N 2.96Å; A299-N303 WeakPolarHBondContact O-CB 3.4Å; A299-N303 PolarHBondContact O-N 3.18Å; A299-N303 PolarHBondContact O-ND2 2.81Å; A299-F327 HydrophobicContact CB-CE2 4.11Å; A299-F327 HydrophobicContact CB-CZ 3.8Å; A299-M420 HydrophobicContact CB-CE 3.91Å; A299-M420 VanDerWaalsContact O-CE 3.23Å; A299-M420 WeakPolarHBondContact O-CE 3.26Å
300	L	98.8	Very high	98.5	Very high	31 Å²	31	27.1 Å²	27.1	16%	0.162	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-48.7	176.3	-66.7	170.9	0	0	0	111.4	I296 R297 G298 A302 N303 F304 V331 R334	I296-L300 HydrophobicContact CG2-CD1 4.12Å; I296-L300 HydrophobicContact CG2-CG 4.49Å; I296-L300 VanDerWaalsContact O-CG 3.31Å; I296-L300 WeakPolarHBondContact O-CG 3.48Å; I296-L300 PolarHBondContact O-N 2.8Å; R297-L300 PolarHBondContact O-N 3.46Å; G298-L300 PolarHBondContact O-N 2.95Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.14Å; L300-N303 PolarHBondContact O-N 3.47Å; L300-F304 HydrophobicContact CB-CD2 4.38Å; L300-F304 HydrophobicContact CD2-CD2 3.79Å; L300-F304 HydrophobicContact CD2-CE2 3.7Å; L300-F304 PolarHBondContact O-N 2.96Å; L300-V331 HydrophobicContact CD2-CG2 4.01Å; L300-V331 HydrophobicContact CG-CG2 4.49Å; L300-R334 HydrophobicContact CD1-CB 3.69Å; L300-R334 HydrophobicContact CD1-CG 4.35Å; L300-R334 HydrophobicContact CD2-CB 4.32Å
301	M	98	Very high	98.5	Very high	87 Å²	87	27.7 Å²	27.7	43%	0.429	14%	0.137	S	C	.	.	H	α-helix	trans	-60.9	-38.9	177.4	-73.5	-61.2	-66.9	0	0	111.9	R297 G298 N303 L305 N472	R297-M301 WeakPolarHBondContact O-CB 3.21Å; R297-M301 VanDerWaalsContact O-CG 3.3Å; R297-M301 WeakPolarHBondContact O-CG 3.47Å; R297-M301 PolarHBondContact O-N 3.45Å; G298-M301 PolarHBondContact O-N 3.29Å; M301-N303 PolarHBondContact O-N 3.47Å; M301-L305 HydrophobicContact CE-CD1 3.6Å; M301-L305 HydrophobicContact CE-CD2 3.94Å; M301-L305 HydrophobicContact CE-CG 3.93Å; M301-L305 HydrophobicContact SD-CD2 4.31Å; M301-L305 HydrophobicContact SD-CG 4.36Å; M301-N472 PolarHBondContact O-ND2 2.92Å
302	A	98.3	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-6	178.9	0	0	0	0	0	114.4	L284 G298 A299 L300 N313 G314 Y471	L284-A302 HydrophobicContact CD2-CB 4.16Å; G298-A302 WeakPolarHBondContact O-CB 3.43Å; G298-A302 PolarHBondContact O-N 2.81Å; A299-A302 PolarHBondContact O-N 2.96Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.14Å; A302-N313 CarbonylContact O-C 3.56Å; A302-N313 WeakPolarHBondContact O-CA 3.37Å; A302-N313 WeakPolarHBondContact O-CB 3.31Å; A302-N313 PolarHBondContact O-OD1 3.04Å; A302-G314 PolarHBondContact O-N 3.3Å; A302-Y471 HydrophobicContact CB-CD1 3.31Å; A302-Y471 HydrophobicContact CB-CD2 4.03Å; A302-Y471 HydrophobicContact CB-CE1 3.66Å; A302-Y471 HydrophobicContact CB-CE2 4.29Å; A302-Y471 HydrophobicContact CB-CG 3.53Å
303	N	98.8	Very high	98.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-133.3	-28.6	-171.4	-79.7	-90.4	0	0	0	114.8	A299 L300 M301 G308 G314 T315 M420	A299-N303 WeakPolarHBondContact O-CB 3.4Å; A299-N303 PolarHBondContact O-N 3.18Å; A299-N303 PolarHBondContact O-ND2 2.81Å; L300-N303 PolarHBondContact O-N 3.47Å; M301-N303 PolarHBondContact O-N 3.47Å; N303-G308 WeakPolarHBondContact O-CA 3.24Å; N303-G314 PolarHBondContact ND2-O 3.38Å; N303-T315 WeakPolarHBondContact OD1-CA 3.46Å; N303-M420 HydrophobicContact CB-CB 4.24Å; N303-M420 HydrophobicContact CB-CE 3.8Å; N303-M420 WeakPolarHBondContact OD1-CA 3.44Å
304	F	98.7	Very high	98.4	Very high	10 Å²	10	20.5 Å²	20.5	4%	0.044	10%	0.102	C	C	.	.	H	α-helix	trans	-117.2	-7	-167.2	-56.4	-55.9	0	0	0	115.3	L300 T335 I338 P398 V400 P418 M420	L300-F304 HydrophobicContact CB-CD2 4.38Å; L300-F304 HydrophobicContact CD2-CD2 3.79Å; L300-F304 HydrophobicContact CD2-CE2 3.7Å; L300-F304 PolarHBondContact O-N 2.96Å; F304-T335 HydrophobicContact CE1-CG2 4.4Å; F304-T335 HydrophobicContact CE2-CG2 4.05Å; F304-T335 WeakPolarHBondContact CE2-OG1 3.31Å; F304-T335 HydrophobicContact CZ-CG2 3.82Å; F304-I338 HydrophobicContact CB-CD1 4.02Å; F304-I338 HydrophobicContact CD2-CD1 3.81Å; F304-I338 HydrophobicContact CE2-CD1 4.48Å; F304-I338 HydrophobicContact CG-CD1 3.91Å; F304-P398 HydrophobicContact CD1-CB 3.88Å; F304-P398 HydrophobicContact CE1-CB 3.86Å; F304-V400 HydrophobicContact CZ-CG2 4.26Å; F304-P418 HydrophobicContact CD1-CB 3.87Å; F304-P418 HydrophobicContact CE1-CB 4.31Å; F304-M420 HydrophobicContact CE2-CE 3.75Å; F304-M420 HydrophobicContact CZ-CB 4.11Å; F304-M420 HydrophobicContact CZ-CE 4.1Å
305	L	97.4	Very high	98.4	Very high	36 Å²	36	18.4 Å²	18.4	19%	0.188	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-56.2	141.3	168.1	-78.6	-179.1	0	0	0	111.1	E128 M301 Q307 G308 V310 N472	E128-L305 HydrophobicContact CG-CD2 4.09Å; M301-L305 HydrophobicContact CE-CD1 3.6Å; M301-L305 HydrophobicContact CE-CD2 3.94Å; M301-L305 HydrophobicContact CE-CG 3.93Å; M301-L305 HydrophobicContact SD-CD2 4.31Å; M301-L305 HydrophobicContact SD-CG 4.36Å; L305-Q307 PolarHBondContact O-N 3.09Å; L305-G308 WeakPolarHBondContact O-CA 3.29Å; L305-G308 PolarHBondContact O-N 3.21Å; L305-V310 HydrophobicContact CB-CG2 4.27Å; L305-V310 WeakPolarHBondContact O-CG2 3.1Å; L305-N472 HydrophobicContact CD1-CB 4.06Å
306	T	98.1	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	49	46.3	177	-63.8	0	0	0	0	111.4	K124 E128 Y181 G308 Q309	K124-T306 HydrophobicContact CB-CG2 4.29Å; K124-T306 PolarHBondContact NZ-OG1 3.39Å; E128-T306 PolarHBondContact OE1-N 3.27Å; E128-T306 WeakPolarHBondContact OE2-CA 3.39Å; E128-T306 WeakPolarHBondContact OE2-CB 3.31Å; E128-T306 PolarHBondContact OE2-N 3.06Å; E128-T306 PolarHBondContact OE2-OG1 3.12Å; Y181-T306 HydrophobicContact CE2-CG2 4.44Å; Y181-T306 PolarHBondContact OH-OG1 2.96Å; T306-G308 PolarHBondContact O-N 2.85Å; T306-G308 VanDerWaalsContact O-N 3.15Å; T306-Q309 HydrophobicContact CG2-CB 4.41Å; T306-Q309 VanDerWaalsContact O-CB 3.28Å; T306-Q309 WeakPolarHBondContact O-CB 3.48Å; T306-Q309 PolarHBondContact O-N 3.11Å; T306-Q309 PolarHBondContact O-NE2 3Å
307	Q	98.4	Very high	98.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	55.2	29.3	-176.9	-59.5	73.5	-104.6	0	0	113.6	G123 L305 Q309 M350 G351 A352 L353 G417 P418	G123-Q307 PolarHBondContact O-NE2 3.23Å; L305-Q307 PolarHBondContact O-N 3.09Å; Q307-Q309 VanDerWaalsContact C-N 3.25Å; Q307-Q309 HydrophobicContact CB-CG 4.49Å; Q307-Q309 PolarHBondContact O-N 2.94Å; Q307-M350 HydrophobicContact CB-CG 4.27Å; Q307-M350 HydrophobicContact CG-CG 3.72Å; Q307-G351 WeakPolarHBondContact CG-O 3.18Å; Q307-A352 WeakPolarHBondContact CG-O 3.24Å; Q307-A352 PolarHBondContact NE2-O 3.36Å; Q307-L353 HydrophobicContact CB-CD1 4.32Å; Q307-L353 HydrophobicContact CB-CG 4.21Å; Q307-G417 CarbonylContact O-C 3.39Å; Q307-P418 WeakPolarHBondContact O-CD 3.24Å
308	G	98.5	Very high	98.5	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.021	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	72.9	10.8	-175.5	0	0	0	0	0	115.2	N303 L305 T306 V310 N313 G417	N303-G308 WeakPolarHBondContact O-CA 3.24Å; L305-G308 WeakPolarHBondContact O-CA 3.29Å; L305-G308 PolarHBondContact O-N 3.21Å; T306-G308 PolarHBondContact O-N 2.85Å; T306-G308 VanDerWaalsContact O-N 3.15Å; G308-V310 VanDerWaalsContact C-N 3.29Å; G308-V310 PolarHBondContact O-N 2.99Å; G308-N313 PolarHBondContact O-ND2 2.85Å; G308-G417 PolarHBondContact O-N 3.3Å
309	Q	98.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.			trans	-91.9	52.2	-178.5	-56.2	169.1	119.4	0	0	111.1	F179 N180 T306 Q307 F416	F179-Q309 HydrophobicContact CE2-CB 4.47Å; N180-Q309 HydrophobicContact CB-CB 4.43Å; N180-Q309 WeakPolarHBondContact CB-O 3.36Å; N180-Q309 PolarHBondContact ND2-O 3.24Å; T306-Q309 HydrophobicContact CG2-CB 4.41Å; T306-Q309 VanDerWaalsContact O-CB 3.28Å; T306-Q309 WeakPolarHBondContact O-CB 3.48Å; T306-Q309 PolarHBondContact O-N 3.11Å; T306-Q309 PolarHBondContact O-NE2 3Å; Q307-Q309 VanDerWaalsContact C-N 3.25Å; Q307-Q309 HydrophobicContact CB-CG 4.49Å; Q307-Q309 PolarHBondContact O-N 2.94Å; Q309-F416 VanDerWaalsContact C-CZ 3.45Å; Q309-F416 HydrophobicContact CB-CD1 3.82Å; Q309-F416 HydrophobicContact CB-CE1 3.63Å; Q309-F416 HydrophobicContact CB-CZ 4.29Å; Q309-F416 HydrophobicContact CG-CD1 4.19Å; Q309-F416 HydrophobicContact CG-CE1 4.44Å; Q309-F416 VanDerWaalsContact O-CZ 3.29Å; Q309-F416 WeakPolarHBondContact O-CZ 3.24Å
310	V	98.6	Very high	98.5	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.067	7%	0.068	C	C	.	.			trans	-125.5	129.2	-177.8	-169.9	0	0	0	0	108.9	Y181 L305 G308 C312 N313	Y181-V310 HydrophobicContact CE2-CB 4.42Å; Y181-V310 HydrophobicContact CE2-CG1 4.07Å; Y181-V310 HydrophobicContact CE2-CG2 4Å; Y181-V310 VanDerWaalsContact OH-CG2 3.22Å; Y181-V310 WeakPolarHBondContact OH-CG2 3.3Å; L305-V310 HydrophobicContact CB-CG2 4.27Å; L305-V310 WeakPolarHBondContact O-CG2 3.1Å; G308-V310 VanDerWaalsContact C-N 3.29Å; G308-V310 PolarHBondContact O-N 2.99Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 3.08Å; V310-N313 WeakPolarHBondContact CB-OD1 3.37Å; V310-N313 WeakPolarHBondContact O-CB 3.17Å; V310-N313 PolarHBondContact O-N 2.96Å
311	C	97.7	Very high	98.5	Very high	30 Å²	30	16.9 Å²	16.9	20%	0.203	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.2	-173.7	52.2	0	0	0	0	113	N313 F416 L442	C311-N313 VanDerWaalsContact C-N 3.32Å; C311-N313 PolarHBondContact O-N 3.43Å; C311-F416 HydrophobicContact CB-CE2 4.5Å; C311-L442 VanDerWaalsContact C-CD2 3.44Å; C311-L442 HydrophobicContact CB-CD2 3.55Å; C311-L442 WeakPolarHBondContact O-CD2 3.42Å
312	C	97.8	Very high	98.5	Very high	14 Å²	14	17.4 Å²	17.4	10%	0.095	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.7	-176.7	56.9	0	0	0	0	114.7	S282 V310 G314 L442 A443 Y471 N472 F480	S282-C312 WeakPolarHBondContact CB-O 3.33Å; S282-C312 PolarHBondContact OG-O 3.4Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 3.08Å; C312-G314 PolarHBondContact O-N 3.08Å; C312-L442 HydrophobicContact CB-CD2 4.3Å; C312-A443 HydrophobicContact CB-CB 3.71Å; C312-Y471 WeakPolarHBondContact O-CE1 3.4Å; C312-Y471 PolarHBondContact O-OH 3.41Å; C312-N472 PolarHBondContact SG-OD1 3.38Å; C312-F480 HydrophobicContact CB-CE2 4.14Å; C312-F480 HydrophobicContact CB-CZ 4.21Å
313	N	98.6	Very high	98.5	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.011	9%	0.089	C	C	.	.			trans	-51.5	132.4	-176.4	-88.2	-7.7	0	0	0	113.2	S282 A302 G308 V310 C311 T315 N472	S282-N313 WeakPolarHBondContact CB-O 3.08Å; A302-N313 CarbonylContact O-C 3.56Å; A302-N313 WeakPolarHBondContact O-CA 3.37Å; A302-N313 WeakPolarHBondContact O-CB 3.31Å; A302-N313 PolarHBondContact O-OD1 3.04Å; G308-N313 PolarHBondContact O-ND2 2.85Å; V310-N313 WeakPolarHBondContact CB-OD1 3.37Å; V310-N313 WeakPolarHBondContact O-CB 3.17Å; V310-N313 PolarHBondContact O-N 2.96Å; C311-N313 VanDerWaalsContact C-N 3.32Å; C311-N313 PolarHBondContact O-N 3.43Å; N313-T315 HydrophobicContact CB-CG2 3.77Å; N313-T315 PolarHBondContact O-N 3.01Å; N313-N472 PolarHBondContact OD1-ND2 3.17Å; N313-N472 VanDerWaalsContact OD1-ND2 3.13Å
314	G	98.6	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.			trans	-76.1	59.9	178.3	0	0	0	0	0	112	S282 A302 N303 C312 R316 V317 Y471	S282-G314 CarbonylContact O-C 3.6Å; S282-G314 WeakPolarHBondContact O-CA 3.08Å; A302-G314 PolarHBondContact O-N 3.3Å; N303-G314 PolarHBondContact ND2-O 3.38Å; C312-G314 PolarHBondContact O-N 3.08Å; G314-R316 PolarHBondContact O-N 3.22Å; G314-V317 VanDerWaalsContact O-CG2 3.31Å; G314-V317 WeakPolarHBondContact O-CG2 3.47Å; G314-Y471 WeakPolarHBondContact CA-OH 3.5Å; G314-Y471 PolarHBondContact N-OH 3.29Å
315	T	98.7	Very high	98.5	Very high	20 Å²	20	23.1 Å²	23.1	12%	0.123	12%	0.119	C	C	.	.			trans	-73.9	-10.7	-169.5	62.8	0	0	0	0	114.7	K281 S282 N303 N313 S421	K281-T315 WeakPolarHBondContact CD-OG1 3.49Å; K281-T315 WeakPolarHBondContact CE-OG1 3.33Å; K281-T315 PolarHBondContact NZ-OG1 3.39Å; S282-T315 PolarHBondContact O-N 3.42Å; N303-T315 WeakPolarHBondContact OD1-CA 3.46Å; N313-T315 HydrophobicContact CB-CG2 3.77Å; N313-T315 PolarHBondContact O-N 3.01Å; T315-S421 PolarHBondContact O-N 3.46Å
316	R	98.9	Very high	98.6	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	99.4	165.8	-63	-176.5	-67.7	144.3	-0.9	109	K281 S282 P283 L284 G314 F318 V411 L423 R434 A435	K281-R316 HydrophobicContact CD-CG 4.3Å; K281-R316 HydrophobicContact CG-CG 4.02Å; K281-R316 VanDerWaalsContact O-CZ 3.27Å; K281-R316 PolarHBondContact O-NE 2.9Å; K281-R316 PolarHBondContact O-NH2 2.88Å; S282-R316 PolarHBondContact O-N 3.22Å; P283-R316 WeakPolarHBondContact CA-O 3.32Å; L284-R316 PolarHBondContact N-O 3.19Å; G314-R316 PolarHBondContact O-N 3.22Å; R316-F318 HydrophobicContact CB-CD2 4.34Å; R316-F318 HydrophobicContact CB-CE2 3.68Å; R316-F318 HydrophobicContact CB-CZ 4.25Å; R316-V411 WeakPolarHBondContact CD-O 3.42Å; R316-V411 HydrophobicContact CG-CG1 4.15Å; R316-L423 HydrophobicContact CB-CD1 4.37Å; R316-R434 PolarHBondContact NH1-O 2.99Å; R316-A435 PolarHBondContact NH1-O 3.14Å; R316-A435 PolarHBondContact NH2-O 2.81Å
317	V	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.2	179.8	-174.2	0	0	0	0	108.7	L284 I286 G314 V319 F327 M420 S421 V422 L423	L284-V317 HydrophobicContact CB-CG2 4.43Å; L284-V317 HydrophobicContact CD2-CG1 4.36Å; L284-V317 HydrophobicContact CD2-CG2 4.32Å; L284-V317 HydrophobicContact CG-CG1 4.49Å; L284-V317 CarbonylContact O-C 3.54Å; L284-V317 WeakPolarHBondContact O-CA 3.32Å; I286-V317 HydrophobicContact CD1-CG1 3.75Å; G314-V317 VanDerWaalsContact O-CG2 3.31Å; G314-V317 WeakPolarHBondContact O-CG2 3.47Å; V317-V319 HydrophobicContact CG1-CG2 3.89Å; V317-F327 HydrophobicContact CG1-CE1 4.23Å; V317-F327 HydrophobicContact CG1-CZ 3.89Å; V317-M420 HydrophobicContact CB-CG 4.38Å; V317-M420 HydrophobicContact CG2-CE 4.46Å; V317-M420 HydrophobicContact CG2-CG 3.6Å; V317-M420 HydrophobicContact CG2-SD 3.93Å; V317-S421 PolarHBondContact N-O 2.88Å; V317-V422 CarbonylContact O-C 3.54Å; V317-V422 WeakPolarHBondContact O-CA 3.48Å; V317-L423 PolarHBondContact O-N 3.27Å
318	F	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.3	175.2	-64.4	-86.6	0	0	0	109.3	P283 L284 I285 I286 R316 L423 F425 V431 R434	P283-F318 HydrophobicContact CB-CD2 4.11Å; P283-F318 HydrophobicContact CB-CE2 3.87Å; L284-F318 PolarHBondContact O-N 3.45Å; I285-F318 CarbonylContact C-O 3.56Å; I285-F318 WeakPolarHBondContact CA-O 3.46Å; I285-F318 HydrophobicContact CG1-CB 4.4Å; I285-F318 HydrophobicContact CG1-CD2 4.49Å; I286-F318 PolarHBondContact N-O 3Å; R316-F318 HydrophobicContact CB-CD2 4.34Å; R316-F318 HydrophobicContact CB-CE2 3.68Å; R316-F318 HydrophobicContact CB-CZ 4.25Å; F318-L423 CarbonylContact C-O 3.46Å; F318-L423 VanDerWaalsContact CA-O 3.3Å; F318-L423 WeakPolarHBondContact CA-O 3.28Å; F318-L423 HydrophobicContact CD1-CB 3.83Å; F318-L423 HydrophobicContact CE1-CB 4Å; F318-L423 HydrophobicContact CE1-CD1 4.32Å; F318-L423 HydrophobicContact CE1-CD2 4.12Å; F318-L423 HydrophobicContact CE1-CG 4.38Å; F318-F425 HydrophobicContact CB-CD1 3.85Å; F318-F425 HydrophobicContact CB-CE1 4.24Å; F318-V431 HydrophobicContact CB-CG2 3.53Å; F318-V431 HydrophobicContact CD1-CG2 3.96Å; F318-V431 HydrophobicContact CD2-CG2 4.33Å; F318-V431 HydrophobicContact CG-CG2 3.7Å; F318-R434 HydrophobicContact CE1-CB 4.17Å; F318-R434 HydrophobicContact CZ-CB 4.38Å
319	V	98.9	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.2	-178.2	-174.9	0	0	0	0	109.6	I286 V317 R321 I323 M324 F327 V422 L423 S424 F425	I286-V319 HydrophobicContact CB-CG2 4.43Å; I286-V319 HydrophobicContact CD1-CG2 4.29Å; V317-V319 HydrophobicContact CG1-CG2 3.89Å; V319-R321 PolarHBondContact O-N 3.48Å; V319-I323 HydrophobicContact CG1-CD1 4Å; V319-I323 HydrophobicContact CG1-CG1 3.84Å; V319-M324 HydrophobicContact CB-SD 3.74Å; V319-M324 HydrophobicContact CG1-SD 4.18Å; V319-M324 HydrophobicContact CG2-SD 4.28Å; V319-F327 HydrophobicContact CG1-CB 4.11Å; V319-F327 HydrophobicContact CG1-CD1 4.41Å; V319-F327 HydrophobicContact CG1-CG 4.16Å; V319-F327 HydrophobicContact CG2-CD1 3.71Å; V319-F327 HydrophobicContact CG2-CD2 4.49Å; V319-F327 HydrophobicContact CG2-CE1 3.76Å; V319-F327 HydrophobicContact CG2-CG 4.1Å; V319-F327 HydrophobicContact CG2-CZ 4.19Å; V319-V422 HydrophobicContact CG2-CG1 3.89Å; V319-L423 PolarHBondContact N-O 3.19Å; V319-S424 VanDerWaalsContact O-CA 3.3Å; V319-S424 WeakPolarHBondContact O-CA 3.48Å; V319-F425 WeakPolarHBondContact O-CD1 3.41Å; V319-F425 PolarHBondContact O-N 3.1Å; V319-F425 VanDerWaalsContact O-N 3.15Å
320	Q	98.8	Very high	98.6	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.7	-179.5	-154.6	175.7	3.4	0	0	110.4	I286 K288 E322 I323 M324 F425 D426	I286-Q320 PolarHBondContact O-N 3.32Å; K288-Q320 HydrophobicContact CB-CB 4.32Å; K288-Q320 VanDerWaalsContact CG-OE1 3.27Å; Q320-E322 WeakPolarHBondContact CG-OE2 3.45Å; Q320-E322 PolarHBondContact O-N 2.92Å; Q320-I323 VanDerWaalsContact O-CG1 3.29Å; Q320-I323 WeakPolarHBondContact O-CG1 3.41Å; Q320-I323 PolarHBondContact O-N 3.5Å; Q320-M324 PolarHBondContact O-N 3.37Å; Q320-F425 WeakPolarHBondContact CA-O 3.43Å; Q320-F425 HydrophobicContact CB-CD1 4.49Å; Q320-F425 HydrophobicContact CB-CE1 3.88Å; Q320-F425 HydrophobicContact CB-CE2 3.95Å; Q320-F425 HydrophobicContact CB-CZ 3.58Å; Q320-F425 HydrophobicContact CG-CD2 4.17Å; Q320-F425 HydrophobicContact CG-CE1 4.47Å; Q320-F425 HydrophobicContact CG-CE2 3.69Å; Q320-F425 HydrophobicContact CG-CZ 3.88Å; Q320-D426 PolarHBondContact NE2-O 3.06Å
321	R	98.6	Very high	98.6	Very high	122 Å²	122	35.1 Å²	35.1	46%	0.46	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-49.2	-39.4	-164.5	-170.7	178.6	-58.6	-73.6	-4.9	114.2	V319 I323 M324 S424 F425 D426	V319-R321 PolarHBondContact O-N 3.48Å; R321-I323 VanDerWaalsContact C-N 3.29Å; R321-I323 PolarHBondContact O-N 3.2Å; R321-M324 WeakPolarHBondContact O-CB 3.4Å; R321-M324 PolarHBondContact O-N 3.33Å; R321-S424 PolarHBondContact NH1-OG 3.48Å; R321-F425 PolarHBondContact N-O 2.91Å; R321-D426 IonicContact CZ-OD1 2.66Å; R321-D426 IonicContact CZ-OD2 3.75Å; R321-D426 IonicContact NE-OD1 3.34Å; R321-D426 PolarHBondContact NE-OD1 2.77Å; R321-D426 IonicContact NE-OD2 3.22Å; R321-D426 IonicContact NH2-OD1 3.3Å; R321-D426 IonicContact NH2-OD2 3.6Å; R321-D426 PolarHBondContact NH2-OD2 3.22Å
322	E	98.7	Very high	98.7	Very high	97 Å²	97	34.5 Å²	34.5	45%	0.453	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-65.9	-25.7	-174.9	-58.9	97.9	130.6	0	0	114.4	K288 Q320	K288-E322 HydrophobicContact CD-CB 4.45Å; K288-E322 HydrophobicContact CD-CG 4.44Å; K288-E322 WeakPolarHBondContact CD-OE1 3.45Å; K288-E322 IonicContact NZ-OE1 2.71Å; K288-E322 PolarHBondContact NZ-OE1 3.3Å; Q320-E322 WeakPolarHBondContact CG-OE2 3.45Å; Q320-E322 PolarHBondContact O-N 2.92Å
323	I	98.7	Very high	98.8	Very high	22 Å²	22	39.9 Å²	39.9	11%	0.113	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-107	0.4	179.5	59.2	157.2	0	0	0	113.2	I286 K288 V319 Q320 R321 Q326 F327	I286-I323 HydrophobicContact CG2-CD1 3.95Å; K288-I323 HydrophobicContact CB-CG1 4.34Å; K288-I323 HydrophobicContact CB-CG2 3.9Å; V319-I323 HydrophobicContact CG1-CD1 4Å; V319-I323 HydrophobicContact CG1-CG1 3.84Å; Q320-I323 VanDerWaalsContact O-CG1 3.29Å; Q320-I323 WeakPolarHBondContact O-CG1 3.41Å; Q320-I323 PolarHBondContact O-N 3.5Å; R321-I323 VanDerWaalsContact C-N 3.29Å; R321-I323 PolarHBondContact O-N 3.2Å; I323-Q326 PolarHBondContact O-N 3.23Å; I323-Q326 PolarHBondContact O-OE1 3.5Å; I323-F327 WeakPolarHBondContact O-CB 3.31Å; I323-F327 PolarHBondContact O-N 2.92Å
324	M	98.4	Very high	98.8	Very high	21 Å²	21	42.8 Å²	42.8	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-56.2	-45.6	-177.6	-174.9	76.6	169.1	0	0	112.8	V319 Q320 R321 F327 L328 E402 V422	V319-M324 HydrophobicContact CB-SD 3.74Å; V319-M324 HydrophobicContact CG1-SD 4.18Å; V319-M324 HydrophobicContact CG2-SD 4.28Å; Q320-M324 PolarHBondContact O-N 3.37Å; R321-M324 WeakPolarHBondContact O-CB 3.4Å; R321-M324 PolarHBondContact O-N 3.33Å; M324-F327 PolarHBondContact O-N 2.85Å; M324-L328 HydrophobicContact CE-CD1 3.71Å; M324-L328 HydrophobicContact CE-CD2 4.06Å; M324-L328 HydrophobicContact CE-CG 4.01Å; M324-L328 HydrophobicContact CG-CD1 3.89Å; M324-L328 HydrophobicContact CG-CG 4.23Å; M324-L328 WeakPolarHBondContact O-CB 3.46Å; M324-L328 VanDerWaalsContact O-CG 3.31Å; M324-L328 WeakPolarHBondContact O-CG 3.38Å; M324-L328 PolarHBondContact O-N 3.29Å; M324-L328 HydrophobicContact SD-CD1 4.25Å; M324-L328 HydrophobicContact SD-CG 4.2Å; M324-E402 HydrophobicContact CE-CG 4.32Å; M324-V422 HydrophobicContact CE-CB 4.13Å; M324-V422 HydrophobicContact CE-CG1 3.43Å; M324-V422 VanDerWaalsContact CE-CG1 3.43Å; M324-V422 HydrophobicContact SD-CG1 3.84Å
325	P	98.6	Very high	98.8	Very high	88 Å²	88	42.9 Å²	42.9	57%	0.571	20%	0.201	S	C	*	.	H	α-helix	trans	-61.7	-47.5	-179	-23.3	35.6	0	0	0	112.9	F327 L328 E329	P325-F327 PolarHBondContact O-N 2.97Å; P325-L328 PolarHBondContact O-N 2.69Å; P325-E329 PolarHBondContact O-N 2.82Å; P325-E329 VanDerWaalsContact O-N 3.07Å
326	Q	98.6	Very high	98.8	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.463	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-38.9	179.9	-57.1	95.8	-33.4	0	0	111.6	L292 I323 E330	L292-Q326 HydrophobicContact CD2-CB 3.92Å; I323-Q326 PolarHBondContact O-N 3.23Å; I323-Q326 PolarHBondContact O-OE1 3.5Å; Q326-E330 PolarHBondContact O-N 2.96Å
327	F	98.9	Very high	98.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-49.5	176.1	176.9	-92.1	0	0	0	111.5	I286 L292 I296 A299 V317 V319 I323 M324 P325 E329 E330 V331 V422	I286-F327 HydrophobicContact CD1-CD2 4.22Å; I286-F327 HydrophobicContact CD1-CE2 3.5Å; I286-F327 VanDerWaalsContact CD1-CE2 3.5Å; I286-F327 HydrophobicContact CD1-CZ 3.9Å; L292-F327 HydrophobicContact CD1-CB 4.16Å; L292-F327 HydrophobicContact CD1-CD2 4.14Å; I296-F327 HydrophobicContact CG1-CD2 3.82Å; I296-F327 HydrophobicContact CG1-CE2 3.97Å; A299-F327 HydrophobicContact CB-CE2 4.11Å; A299-F327 HydrophobicContact CB-CZ 3.8Å; V317-F327 HydrophobicContact CG1-CE1 4.23Å; V317-F327 HydrophobicContact CG1-CZ 3.89Å; V319-F327 HydrophobicContact CG1-CB 4.11Å; V319-F327 HydrophobicContact CG1-CD1 4.41Å; V319-F327 HydrophobicContact CG1-CG 4.16Å; V319-F327 HydrophobicContact CG2-CD1 3.71Å; V319-F327 HydrophobicContact CG2-CD2 4.49Å; V319-F327 HydrophobicContact CG2-CE1 3.76Å; V319-F327 HydrophobicContact CG2-CG 4.1Å; V319-F327 HydrophobicContact CG2-CZ 4.19Å; I323-F327 WeakPolarHBondContact O-CB 3.31Å; I323-F327 PolarHBondContact O-N 2.92Å; M324-F327 PolarHBondContact O-N 2.85Å; P325-F327 PolarHBondContact O-N 2.97Å; F327-E329 PolarHBondContact O-N 3.22Å; F327-E330 PolarHBondContact O-N 3.01Å; F327-V331 HydrophobicContact CD1-CG1 4.16Å; F327-V331 HydrophobicContact CE1-CB 4.23Å; F327-V331 HydrophobicContact CE1-CG1 3.88Å; F327-V331 HydrophobicContact CZ-CB 4.28Å; F327-V331 HydrophobicContact CZ-CG1 4.4Å; F327-V331 HydrophobicContact CZ-CG2 4.28Å; F327-V331 WeakPolarHBondContact O-CB 3.33Å; F327-V331 VanDerWaalsContact O-CG1 3.27Å; F327-V331 WeakPolarHBondContact O-CG1 3.5Å; F327-V331 PolarHBondContact O-N 3.34Å; F327-V422 HydrophobicContact CD1-CG1 4.41Å; F327-V422 HydrophobicContact CE1-CG1 4.09Å; F327-V422 HydrophobicContact CE1-CG2 4.46Å
328	L	98.9	Very high	98.7	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-42.7	-178.4	-75.5	178	0	0	0	112.5	M324 P325 V332 L377 E402 V422	M324-L328 HydrophobicContact CE-CD1 3.71Å; M324-L328 HydrophobicContact CE-CD2 4.06Å; M324-L328 HydrophobicContact CE-CG 4.01Å; M324-L328 HydrophobicContact CG-CD1 3.89Å; M324-L328 HydrophobicContact CG-CG 4.23Å; M324-L328 WeakPolarHBondContact O-CB 3.46Å; M324-L328 VanDerWaalsContact O-CG 3.31Å; M324-L328 WeakPolarHBondContact O-CG 3.38Å; M324-L328 PolarHBondContact O-N 3.29Å; M324-L328 HydrophobicContact SD-CD1 4.25Å; M324-L328 HydrophobicContact SD-CG 4.2Å; P325-L328 PolarHBondContact O-N 2.69Å; L328-V332 VanDerWaalsContact O-CB 3.25Å; L328-V332 WeakPolarHBondContact O-CB 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.44Å; L328-V332 PolarHBondContact O-N 3.37Å; L328-V332 VanDerWaalsContact O-N 3.09Å; L328-L377 HydrophobicContact CB-CD1 4.41Å; L328-L377 HydrophobicContact CD1-CD1 4.33Å; L328-L377 HydrophobicContact CD2-CD1 3.78Å; L328-L377 HydrophobicContact CG-CD1 4.41Å; L328-E402 HydrophobicContact CD1-CG 3.81Å; L328-E402 WeakPolarHBondContact CD1-OE1 3.36Å; L328-E402 HydrophobicContact CD2-CG 4.42Å; L328-V422 HydrophobicContact CD2-CB 4.17Å; L328-V422 HydrophobicContact CD2-CG1 3.99Å; L328-V422 HydrophobicContact CD2-CG2 4.17Å
329	E	98.8	Very high	98.7	Very high	145 Å²	145	56.5 Å²	56.5	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-56.9	-53.3	177.9	-177.6	180	174.3	0	0	111.2	P325 F327 K333	P325-E329 PolarHBondContact O-N 2.82Å; P325-E329 VanDerWaalsContact O-N 3.07Å; F327-E329 PolarHBondContact O-N 3.22Å; E329-K333 WeakPolarHBondContact O-CB 3.21Å; E329-K333 PolarHBondContact O-N 3.31Å; E329-K333 VanDerWaalsContact O-N 3.12Å
330	E	98.8	Very high	98.7	Very high	43 Å²	43	57.6 Å²	57.6	20%	0.201	29%	0.289	C	S	.	.	H	α-helix	trans	-76.8	-36.8	-173.7	-174.2	63.4	-161.7	0	0	112.3	I296 Q326 F327 V332 K333 R334	I296-E330 HydrophobicContact CD1-CB 3.71Å; I296-E330 HydrophobicContact CD1-CG 3.61Å; Q326-E330 PolarHBondContact O-N 2.96Å; F327-E330 PolarHBondContact O-N 3.01Å; E330-V332 PolarHBondContact O-N 3.43Å; E330-K333 PolarHBondContact O-N 3.4Å; E330-K333 IonicContact OE1-NZ 2.69Å; E330-K333 WeakPolarHBondContact OE2-CD 3.37Å; E330-K333 IonicContact OE2-NZ 2.65Å; E330-K333 PolarHBondContact OE2-NZ 3.26Å; E330-R334 WeakPolarHBondContact O-CG 3.37Å; E330-R334 PolarHBondContact O-N 3.32Å; E330-R334 IonicContact OE1-CZ 3.95Å; E330-R334 VanDerWaalsContact OE1-CZ 3.26Å; E330-R334 IonicContact OE1-NE 3.49Å; E330-R334 PolarHBondContact OE1-NE 3.03Å; E330-R334 IonicContact OE1-NH2 2.71Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å
331	V	98.8	Very high	98.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-42.4	176.5	76.9	0	0	0	0	111	L300 F327 R334 T335 V400 M420	L300-V331 HydrophobicContact CD2-CG2 4.01Å; L300-V331 HydrophobicContact CG-CG2 4.49Å; F327-V331 HydrophobicContact CD1-CG1 4.16Å; F327-V331 HydrophobicContact CE1-CB 4.23Å; F327-V331 HydrophobicContact CE1-CG1 3.88Å; F327-V331 HydrophobicContact CZ-CB 4.28Å; F327-V331 HydrophobicContact CZ-CG1 4.4Å; F327-V331 HydrophobicContact CZ-CG2 4.28Å; F327-V331 WeakPolarHBondContact O-CB 3.33Å; F327-V331 VanDerWaalsContact O-CG1 3.27Å; F327-V331 WeakPolarHBondContact O-CG1 3.5Å; F327-V331 PolarHBondContact O-N 3.34Å; V331-R334 PolarHBondContact O-N 2.86Å; V331-T335 WeakPolarHBondContact O-CB 3.43Å; V331-T335 PolarHBondContact O-N 3.45Å; V331-T335 PolarHBondContact O-OG1 3.48Å; V331-V400 HydrophobicContact CG1-CG1 4.48Å; V331-M420 HydrophobicContact CG2-CE 4.09Å; V331-M420 HydrophobicContact CG2-SD 4.13Å
332	V	98.9	Very high	98.7	Very high	17 Å²	17	52 Å²	52	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-43.5	178	169.5	0	0	0	0	111	L328 E330 R334 T335 K336 L377 C378 V400	L328-V332 VanDerWaalsContact O-CB 3.25Å; L328-V332 WeakPolarHBondContact O-CB 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.44Å; L328-V332 PolarHBondContact O-N 3.37Å; L328-V332 VanDerWaalsContact O-N 3.09Å; E330-V332 PolarHBondContact O-N 3.43Å; V332-R334 VanDerWaalsContact C-N 3.34Å; V332-R334 PolarHBondContact O-N 3.04Å; V332-T335 PolarHBondContact O-N 3.38Å; V332-K336 HydrophobicContact CG1-CD 4.3Å; V332-K336 WeakPolarHBondContact O-CG 3.36Å; V332-K336 PolarHBondContact O-N 3.14Å; V332-L377 HydrophobicContact CG1-CB 4.44Å; V332-L377 HydrophobicContact CG2-CB 3.58Å; V332-L377 HydrophobicContact CG2-CD1 3.71Å; V332-L377 HydrophobicContact CG2-CG 4.31Å; V332-C378 HydrophobicContact CG1-CB 4.06Å; V332-V400 HydrophobicContact CG2-CB 4.32Å; V332-V400 HydrophobicContact CG2-CG1 4.24Å
333	K	98.9	Very high	98.7	Very high	127 Å²	127	47.4 Å²	47.4	55%	0.552	25%	0.249	S	C	*	.	H	α-helix	trans	-57.8	-46.7	175.6	175.3	-175.7	161.4	-157.2	0	111.4	E329 E330 K336 A337	E329-K333 WeakPolarHBondContact O-CB 3.21Å; E329-K333 PolarHBondContact O-N 3.31Å; E329-K333 VanDerWaalsContact O-N 3.12Å; E330-K333 PolarHBondContact O-N 3.4Å; E330-K333 IonicContact OE1-NZ 2.69Å; E330-K333 WeakPolarHBondContact OE2-CD 3.37Å; E330-K333 IonicContact OE2-NZ 2.65Å; E330-K333 PolarHBondContact OE2-NZ 3.26Å; K333-K336 PolarHBondContact O-N 3.34Å; K333-A337 PolarHBondContact O-N 2.78Å
334	R	98.8	Very high	98.7	Very high	63 Å²	63	48 Å²	48	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-69.9	-38.8	179	-69.6	-172.7	-171	-164.1	3.8	113	E293 L300 E330 V331 V332 K336 A337 I338	E293-R334 IonicContact OE1-CZ 3.92Å; E293-R334 IonicContact OE1-NH1 3.84Å; E293-R334 PolarHBondContact OE1-NH1 2.91Å; E293-R334 IonicContact OE1-NH2 3.72Å; E293-R334 PolarHBondContact OE1-NH2 2.68Å; E293-R334 IonicContact OE2-CZ 2.84Å; E293-R334 IonicContact OE2-NH1 2.72Å; E293-R334 PolarHBondContact OE2-NH1 3.11Å; E293-R334 IonicContact OE2-NH2 2.58Å; E293-R334 PolarHBondContact OE2-NH2 2.67Å; L300-R334 HydrophobicContact CD1-CB 3.69Å; L300-R334 HydrophobicContact CD1-CG 4.35Å; L300-R334 HydrophobicContact CD2-CB 4.32Å; E330-R334 WeakPolarHBondContact O-CG 3.37Å; E330-R334 PolarHBondContact O-N 3.32Å; E330-R334 IonicContact OE1-CZ 3.95Å; E330-R334 VanDerWaalsContact OE1-CZ 3.26Å; E330-R334 IonicContact OE1-NE 3.49Å; E330-R334 PolarHBondContact OE1-NE 3.03Å; E330-R334 IonicContact OE1-NH2 2.71Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å; V331-R334 PolarHBondContact O-N 2.86Å; V332-R334 VanDerWaalsContact C-N 3.34Å; V332-R334 PolarHBondContact O-N 3.04Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-K336 PolarHBondContact O-N 3Å; R334-A337 WeakPolarHBondContact O-CB 3.26Å; R334-A337 PolarHBondContact O-N 3.16Å; R334-I338 PolarHBondContact O-N 3.45Å
335	T	98.9	Very high	98.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-42	175.6	-62.4	0	0	0	0	111.5	F304 V331 V332 A337 I338 P398 V400	F304-T335 HydrophobicContact CE1-CG2 4.4Å; F304-T335 HydrophobicContact CE2-CG2 4.05Å; F304-T335 WeakPolarHBondContact CE2-OG1 3.31Å; F304-T335 HydrophobicContact CZ-CG2 3.82Å; V331-T335 WeakPolarHBondContact O-CB 3.43Å; V331-T335 PolarHBondContact O-N 3.45Å; V331-T335 PolarHBondContact O-OG1 3.48Å; V332-T335 PolarHBondContact O-N 3.38Å; T335-A337 PolarHBondContact O-N 3.42Å; T335-I338 HydrophobicContact CG2-CD1 4.37Å; T335-I338 WeakPolarHBondContact O-CB 3.22Å; T335-I338 WeakPolarHBondContact O-CG1 3.28Å; T335-I338 PolarHBondContact O-N 2.77Å; T335-P398 HydrophobicContact CG2-CB 3.76Å; T335-P398 HydrophobicContact CG2-CG 3.76Å; T335-V400 HydrophobicContact CG2-CG2 4.08Å
336	K	98.7	Very high	98.5	Very high	145 Å²	145	53.3 Å²	53.3	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-64	-24.5	174.3	-72.6	178.3	-178.1	179.8	0	113.5	V332 K333 R334 C378	V332-K336 HydrophobicContact CG1-CD 4.3Å; V332-K336 WeakPolarHBondContact O-CG 3.36Å; V332-K336 PolarHBondContact O-N 3.14Å; K333-K336 PolarHBondContact O-N 3.34Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-K336 PolarHBondContact O-N 3Å; K336-C378 HydrophobicContact CD-CB 4.28Å; K336-C378 VanDerWaalsContact CE-CB 3.47Å; K336-C378 HydrophobicContact CG-CB 3.8Å
337	A	98.6	Very high	98.5	Very high	80 Å²	80	51 Å²	51	66%	0.661	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.6	179	0	0	0	0	0	113.6	K333 R334 T335 S339	K333-A337 PolarHBondContact O-N 2.78Å; R334-A337 WeakPolarHBondContact O-CB 3.26Å; R334-A337 PolarHBondContact O-N 3.16Å; T335-A337 PolarHBondContact O-N 3.42Å; A337-S339 PolarHBondContact O-N 2.71Å
338	I	98.7	Very high	98.4	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.169	28%	0.281	C	S	.	.			trans	-64.8	119	175.5	-65.3	174.4	0	0	0	108.8	F304 R334 T335 V340 R349 M350 P398	F304-I338 HydrophobicContact CB-CD1 4.02Å; F304-I338 HydrophobicContact CD2-CD1 3.81Å; F304-I338 HydrophobicContact CE2-CD1 4.48Å; F304-I338 HydrophobicContact CG-CD1 3.91Å; R334-I338 PolarHBondContact O-N 3.45Å; T335-I338 HydrophobicContact CG2-CD1 4.37Å; T335-I338 WeakPolarHBondContact O-CB 3.22Å; T335-I338 WeakPolarHBondContact O-CG1 3.28Å; T335-I338 PolarHBondContact O-N 2.77Å; I338-V340 HydrophobicContact CG2-CG2 4.49Å; I338-V340 WeakPolarHBondContact O-CG2 3.43Å; I338-V340 PolarHBondContact O-N 2.79Å; I338-R349 HydrophobicContact CG2-CB 4.09Å; I338-M350 HydrophobicContact CG2-CB 3.72Å; I338-P398 HydrophobicContact CB-CG 4.24Å; I338-P398 HydrophobicContact CD1-CB 4.35Å; I338-P398 HydrophobicContact CD1-CG 4.15Å
339	S	98.3	Very high	98.4	Very high	56 Å²	56	56.7 Å²	56.7	39%	0.392	30%	0.3	S	S	.	.			trans	-72	109.1	177.1	-176.8	0	0	0	0	110.6	A337 G347 R349 M350	A337-S339 PolarHBondContact O-N 2.71Å; S339-G347 WeakPolarHBondContact CB-O 3.47Å; S339-G347 PolarHBondContact OG-O 3.26Å; S339-R349 PolarHBondContact O-N 2.73Å; S339-M350 PolarHBondContact O-N 3.12Å
340	V	98.8	Very high	98.4	Very high	23 Å²	23	49.9 Å²	49.9	14%	0.139	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-101.2	122.1	178.9	-168.9	0	0	0	0	109.6	I338 M350 F383 F395	I338-V340 HydrophobicContact CG2-CG2 4.49Å; I338-V340 WeakPolarHBondContact O-CG2 3.43Å; I338-V340 PolarHBondContact O-N 2.79Å; V340-M350 WeakPolarHBondContact CA-O 3.33Å; V340-M350 HydrophobicContact CB-CE 4.44Å; V340-M350 HydrophobicContact CG1-CE 3.91Å; V340-M350 HydrophobicContact CG2-CB 4.35Å; V340-M350 HydrophobicContact CG2-CE 3.66Å; V340-F383 HydrophobicContact CB-CD1 4.05Å; V340-F383 HydrophobicContact CB-CE1 3.82Å; V340-F383 HydrophobicContact CB-CZ 4.49Å; V340-F383 HydrophobicContact CG1-CD1 3.78Å; V340-F383 HydrophobicContact CG1-CE1 4.01Å; V340-F395 HydrophobicContact CG1-CD1 3.88Å
341	G	98.5	Very high	98.4	Very high	8 Å²	8	47.9 Å²	47.9	8%	0.082	26%	0.259	C	S	.	.	S	Bend	trans	175.7	-149.1	-175.5	0	0	0	0	0	114.7	P343 M350 F395	G341-P343 WeakPolarHBondContact O-CD 3.3Å; G341-M350 PolarHBondContact N-O 3.29Å; G341-F395 WeakPolarHBondContact O-CE1 3.18Å
342	D	98.6	Very high	98.4	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.043	26%	0.259	C	S	.	.			trans	-62.1	115.5	-179.6	-175.3	-14.5	0	0	0	110	T26 L344 L345 T348 K389 L390	T26-D342 WeakPolarHBondContact CB-OD1 3.25Å; T26-D342 VanDerWaalsContact OG1-CG 3.32Å; T26-D342 PolarHBondContact OG1-OD1 3.31Å; T26-D342 PolarHBondContact OG1-OD2 2.75Å; D342-L344 PolarHBondContact O-N 3.07Å; D342-L344 PolarHBondContact OD1-N 2.87Å; D342-L345 HydrophobicContact CB-CD1 3.9Å; D342-L345 HydrophobicContact CB-CG 3.95Å; D342-L345 PolarHBondContact O-N 2.93Å; D342-T348 VanDerWaalsContact O-CB 3.24Å; D342-T348 WeakPolarHBondContact O-CB 3.46Å; D342-T348 PolarHBondContact O-OG1 2.84Å; D342-K389 WeakPolarHBondContact OD2-CE 3.4Å; D342-K389 IonicContact OD2-NZ 3.18Å; D342-K389 PolarHBondContact OD2-NZ 2.92Å; D342-L390 HydrophobicContact CB-CD1 4.04Å; D342-L390 HydrophobicContact CB-CD2 4.41Å
343	P	98.4	Very high	98.4	Very high	2 Å²	2	47 Å²	47	1%	0.013	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.8	-173.6	29.4	-36.2	0	0	0	114	A58 V119 K124 C125 I126 G341 L345	A58-P343 HydrophobicContact CB-CG 4.05Å; V119-P343 HydrophobicContact CG1-CB 3.68Å; V119-P343 HydrophobicContact CG1-CG 3.67Å; K124-P343 VanDerWaalsContact O-CB 3.3Å; K124-P343 WeakPolarHBondContact O-CB 3.44Å; C125-P343 CarbonylContact C-O 3.55Å; C125-P343 WeakPolarHBondContact CA-O 3.47Å; I126-P343 PolarHBondContact N-O 3.5Å; G341-P343 WeakPolarHBondContact O-CD 3.3Å; P343-L345 VanDerWaalsContact C-N 3.31Å
344	L	98.1	Very high	98.4	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.178	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.1	174.9	-73.1	-179.6	0	0	0	113.7	T26 K116 V119 I120 D342	T26-L344 WeakPolarHBondContact OG1-CD1 3.39Å; K116-L344 HydrophobicContact CG-CD2 3.87Å; V119-L344 HydrophobicContact CB-CD2 3.8Å; V119-L344 HydrophobicContact CG1-CD2 3.48Å; V119-L344 VanDerWaalsContact CG1-CD2 3.48Å; V119-L344 HydrophobicContact CG1-CG 3.78Å; V119-L344 HydrophobicContact CG2-CD2 4.27Å; I120-L344 HydrophobicContact CD1-CD1 4.47Å; I120-L344 HydrophobicContact CG1-CD1 4.23Å; D342-L344 PolarHBondContact O-N 3.07Å; D342-L344 PolarHBondContact OD1-N 2.87Å
345	L	97.9	Very high	98.4	Very high	99 Å²	99	39.1 Å²	39.1	52%	0.518	22%	0.224	S	C	.	.	S	Bend	trans	-87.3	133	176.4	-60.3	177.8	0	0	0	111.2	D342 P343 G347 T348	D342-L345 HydrophobicContact CB-CD1 3.9Å; D342-L345 HydrophobicContact CB-CG 3.95Å; D342-L345 PolarHBondContact O-N 2.93Å; P343-L345 VanDerWaalsContact C-N 3.31Å; L345-G347 PolarHBondContact O-N 2.89Å; L345-G347 VanDerWaalsContact O-N 3.08Å; L345-T348 WeakPolarHBondContact O-CB 3.27Å; L345-T348 PolarHBondContact O-N 3.24Å
346	D	96.1	Very high	98.3	Very high	121 Å²	121	43.6 Å²	43.6	65%	0.647	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24	179.9	-66.6	-20.3	0	0	0	114	R349	D346-R349 PolarHBondContact O-NH1 2.65Å
347	G	97.4	Very high	98.3	Very high	52 Å²	52	41.1 Å²	41.1	54%	0.536	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.1	177.7	0	0	0	0	0	114.6	S339 L345	S339-G347 WeakPolarHBondContact CB-O 3.47Å; S339-G347 PolarHBondContact OG-O 3.26Å; L345-G347 PolarHBondContact O-N 2.89Å; L345-G347 VanDerWaalsContact O-N 3.08Å
348	T	98.4	Very high	98.3	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.031	22%	0.216	C	C	.	.			trans	-76.9	141.3	179.8	-57.5	0	0	0	0	110	D342 L345 M350	D342-T348 VanDerWaalsContact O-CB 3.24Å; D342-T348 WeakPolarHBondContact O-CB 3.46Å; D342-T348 PolarHBondContact O-OG1 2.84Å; L345-T348 WeakPolarHBondContact O-CB 3.27Å; L345-T348 PolarHBondContact O-N 3.24Å; T348-M350 WeakPolarHBondContact CG2-O 3.27Å
349	R	98.3	Very high	98.3	Very high	129 Å²	129	37.4 Å²	37.4	49%	0.487	21%	0.211	S	C	.	.	S	Bend	trans	-123.6	-8.4	179.4	-67.5	-67.6	176.1	-84.1	-0.4	113.4	C125 I338 S339 D346	C125-R349 VanDerWaalsContact SG-C 3.54Å; I338-R349 HydrophobicContact CG2-CB 4.09Å; S339-R349 PolarHBondContact O-N 2.73Å; D346-R349 PolarHBondContact O-NH1 2.65Å
350	M	98.8	Very high	98.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-148.1	129.2	169.2	-168	173.4	80.7	0	0	110	C125 Q307 I338 S339 V340 G341 T348 M396 P398 P418	C125-M350 PolarHBondContact SG-N 3.17Å; C125-M350 VanDerWaalsContact SG-N 3.43Å; Q307-M350 HydrophobicContact CB-CG 4.27Å; Q307-M350 HydrophobicContact CG-CG 3.72Å; I338-M350 HydrophobicContact CG2-CB 3.72Å; S339-M350 PolarHBondContact O-N 3.12Å; V340-M350 WeakPolarHBondContact CA-O 3.33Å; V340-M350 HydrophobicContact CB-CE 4.44Å; V340-M350 HydrophobicContact CG1-CE 3.91Å; V340-M350 HydrophobicContact CG2-CB 4.35Å; V340-M350 HydrophobicContact CG2-CE 3.66Å; G341-M350 PolarHBondContact N-O 3.29Å; T348-M350 WeakPolarHBondContact CG2-O 3.27Å; M350-M396 WeakPolarHBondContact CE-O 3.28Å; M350-P398 HydrophobicContact CE-CB 4.14Å; M350-P398 HydrophobicContact CE-CG 4.15Å; M350-P398 HydrophobicContact SD-CB 4.07Å; M350-P398 HydrophobicContact SD-CG 4.47Å; M350-P418 HydrophobicContact CE-CG 4.49Å; M350-P418 HydrophobicContact SD-CB 3.89Å; M350-P418 HydrophobicContact SD-CG 4.16Å
351	G	98.6	Very high	98.4	Very high	1 Å²	1	42 Å²	42	1%	0.01	23%	0.225	C	C	.	.			trans	-94.6	-153.5	174.3	0	0	0	0	0	113.1	G123 Q307	G123-G351 WeakPolarHBondContact O-CA 3.45Å; Q307-G351 WeakPolarHBondContact CG-O 3.18Å
352	A	98.5	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.			trans	-87.3	150.9	176.7	0	0	0	0	0	111.7	P57 Q307 F395	P57-A352 VanDerWaalsContact C-CB 3.49Å; P57-A352 HydrophobicContact CB-CB 3.92Å; P57-A352 WeakPolarHBondContact O-CB 3.45Å; Q307-A352 WeakPolarHBondContact CG-O 3.24Å; Q307-A352 PolarHBondContact NE2-O 3.36Å; A352-F395 HydrophobicContact CB-CD1 3.85Å; A352-F395 HydrophobicContact CB-CD2 4.34Å; A352-F395 HydrophobicContact CB-CE1 3.7Å; A352-F395 HydrophobicContact CB-CE2 4.2Å; A352-F395 HydrophobicContact CB-CG 4.18Å; A352-F395 HydrophobicContact CB-CZ 3.88Å
353	L	98.8	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.			trans	-67.7	156.2	170.4	-77	83.6	0	0	0	109.8	P57 Q307 S355 Q358 L359 A362 Y394 M396	P57-L353 WeakPolarHBondContact CB-O 3.45Å; Q307-L353 HydrophobicContact CB-CD1 4.32Å; Q307-L353 HydrophobicContact CB-CG 4.21Å; L353-S355 PolarHBondContact O-N 3.11Å; L353-Q358 HydrophobicContact CD2-CG 4.33Å; L353-L359 HydrophobicContact CD1-CD1 4.44Å; L353-A362 HydrophobicContact CD2-CB 4.12Å; L353-Y394 PolarHBondContact N-O 3.2Å; L353-Y394 WeakPolarHBondContact O-CB 3.38Å; L353-M396 HydrophobicContact CD1-CG 3.63Å; L353-M396 HydrophobicContact CD1-SD 4.02Å; L353-M396 HydrophobicContact CD2-SD 4.26Å
354	I	98.8	Very high	98.4	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.243	C	C	.	.	S	Bend	trans	-57.7	-31.8	-167	-172	59	0	0	0	114.5	P57 F179 M207 T208 Q358	P57-I354 HydrophobicContact CG-CD1 4.14Å; F179-I354 HydrophobicContact CB-CG1 4.22Å; F179-I354 HydrophobicContact CD2-CB 3.7Å; F179-I354 HydrophobicContact CD2-CD1 4.36Å; F179-I354 HydrophobicContact CD2-CG1 3.63Å; F179-I354 HydrophobicContact CD2-CG2 3.68Å; F179-I354 HydrophobicContact CE1-CG2 4.49Å; F179-I354 HydrophobicContact CE2-CB 3.81Å; F179-I354 HydrophobicContact CE2-CG1 4.25Å; F179-I354 HydrophobicContact CE2-CG2 3.4Å; F179-I354 HydrophobicContact CG-CG1 4.07Å; F179-I354 HydrophobicContact CG-CG2 4.35Å; F179-I354 HydrophobicContact CZ-CG2 3.83Å; M207-I354 HydrophobicContact CB-CD1 4.49Å; M207-I354 HydrophobicContact CB-CG1 4.08Å; M207-I354 HydrophobicContact CE-CG1 4.26Å; M207-I354 HydrophobicContact CE-CG2 4.2Å; M207-I354 HydrophobicContact SD-CG1 4.05Å; M207-I354 HydrophobicContact SD-CG2 4.15Å; T208-I354 HydrophobicContact CG2-CD1 3.52Å; T208-I354 HydrophobicContact CG2-CG1 4.44Å; I354-Q358 HydrophobicContact CG2-CB 3.97Å; I354-Q358 HydrophobicContact CG2-CG 4.11Å
355	S	98.6	Very high	98.4	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	24%	0.242	C	C	.	.			trans	-155.9	157.8	-173.6	71.3	0	0	0	0	112	L353 Q358 L359 Y394	L353-S355 PolarHBondContact O-N 3.11Å; S355-Q358 PolarHBondContact O-N 2.86Å; S355-Q358 VanDerWaalsContact O-N 3.15Å; S355-Q358 WeakPolarHBondContact OG-CB 3.22Å; S355-Q358 PolarHBondContact OG-N 3.11Å; S355-L359 PolarHBondContact O-N 3.16Å; S355-Y394 VanDerWaalsContact CA-CD2 3.45Å
356	K	98.4	Very high	98.5	Very high	96 Å²	96	39.5 Å²	39.5	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-44.8	175.1	-175.4	61.5	166.4	77.6	0	113.1	Q358 L359 D360 Y394	K356-Q358 VanDerWaalsContact C-N 3.29Å; K356-Q358 PolarHBondContact O-N 2.67Å; K356-L359 HydrophobicContact CD-CD2 4.17Å; K356-L359 WeakPolarHBondContact O-CB 3.41Å; K356-L359 PolarHBondContact O-N 2.62Å; K356-D360 IonicContact NZ-OD1 2.82Å; K356-D360 PolarHBondContact NZ-OD1 3.24Å; K356-D360 IonicContact NZ-OD2 3.28Å; K356-D360 PolarHBondContact NZ-OD2 3.47Å; K356-D360 VanDerWaalsContact O-CG 3.31Å; K356-D360 PolarHBondContact O-N 2.96Å; K356-Y394 HydrophobicContact CB-CD1 4.06Å; K356-Y394 HydrophobicContact CB-CE1 3.95Å; K356-Y394 HydrophobicContact CD-CD1 4.33Å
357	P	98.6	Very high	98.6	Very high	93 Å²	93	37 Å²	37	60%	0.604	21%	0.207	S	C	*	.	H	α-helix	trans	-60.2	-36.1	174.9	-25.7	35.9	0	0	0	113.6	D360 K361	P357-D360 PolarHBondContact O-N 2.96Å; P357-K361 WeakPolarHBondContact O-CB 3.39Å; P357-K361 PolarHBondContact O-N 2.9Å
358	Q	98.6	Very high	98.7	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-70.7	-40.1	177.9	-172.7	59.9	21	0	0	111.8	L353 I354 S355 K356 K361 A362 I415 F416	L353-Q358 HydrophobicContact CD2-CG 4.33Å; I354-Q358 HydrophobicContact CG2-CB 3.97Å; I354-Q358 HydrophobicContact CG2-CG 4.11Å; S355-Q358 PolarHBondContact O-N 2.86Å; S355-Q358 VanDerWaalsContact O-N 3.15Å; S355-Q358 WeakPolarHBondContact OG-CB 3.22Å; S355-Q358 PolarHBondContact OG-N 3.11Å; K356-Q358 VanDerWaalsContact C-N 3.29Å; K356-Q358 PolarHBondContact O-N 2.67Å; Q358-K361 PolarHBondContact O-N 3.16Å; Q358-A362 PolarHBondContact O-N 3.12Å; Q358-I415 PolarHBondContact NE2-O 3.13Å; Q358-F416 PolarHBondContact NE2-O 3.49Å
359	L	98.8	Very high	98.7	Very high	11 Å²	11	38 Å²	38	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-49.4	170.7	172.2	63.8	0	0	0	111.4	L353 S355 K356 K361 A362 L363 M396	L353-L359 HydrophobicContact CD1-CD1 4.44Å; S355-L359 PolarHBondContact O-N 3.16Å; K356-L359 HydrophobicContact CD-CD2 4.17Å; K356-L359 WeakPolarHBondContact O-CB 3.41Å; K356-L359 PolarHBondContact O-N 2.62Å; L359-K361 VanDerWaalsContact C-N 3.33Å; L359-K361 PolarHBondContact O-N 2.84Å; L359-A362 PolarHBondContact O-N 3.48Å; L359-L363 HydrophobicContact CD1-CD1 3.8Å; L359-L363 HydrophobicContact CD1-CG 4.08Å; L359-L363 HydrophobicContact CG-CD1 3.92Å; L359-L363 WeakPolarHBondContact O-CG 3.18Å; L359-L363 PolarHBondContact O-N 2.87Å; L359-M396 HydrophobicContact CD1-CB 3.7Å; L359-M396 HydrophobicContact CD1-CG 4.09Å; L359-M396 HydrophobicContact CD1-SD 4.21Å
360	D	98.8	Very high	98.7	Very high	75 Å²	75	36 Å²	36	40%	0.401	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-39.3	-178.7	-69.1	-22.3	0	0	0	112	K356 P357 G364	K356-D360 IonicContact NZ-OD1 2.82Å; K356-D360 PolarHBondContact NZ-OD1 3.24Å; K356-D360 IonicContact NZ-OD2 3.28Å; K356-D360 PolarHBondContact NZ-OD2 3.47Å; K356-D360 VanDerWaalsContact O-CG 3.31Å; K356-D360 PolarHBondContact O-N 2.96Å; P357-D360 PolarHBondContact O-N 2.96Å; D360-G364 PolarHBondContact O-N 2.96Å
361	K	98.7	Very high	98.7	Very high	101 Å²	101	43.5 Å²	43.5	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-49.2	173.2	179.6	179.8	171.4	-173.5	0	111.3	P357 Q358 L359 G364 F365	P357-K361 WeakPolarHBondContact O-CB 3.39Å; P357-K361 PolarHBondContact O-N 2.9Å; Q358-K361 PolarHBondContact O-N 3.16Å; L359-K361 VanDerWaalsContact C-N 3.33Å; L359-K361 PolarHBondContact O-N 2.84Å; K361-G364 PolarHBondContact O-N 3.49Å; K361-F365 HydrophobicContact CD-CE2 4.33Å; K361-F365 HydrophobicContact CG-CD2 4.07Å; K361-F365 HydrophobicContact CG-CE2 3.75Å; K361-F365 VanDerWaalsContact O-CD2 3.24Å; K361-F365 WeakPolarHBondContact O-CD2 3.34Å; K361-F365 PolarHBondContact O-N 2.93Å
362	A	98.7	Very high	98.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-45.8	-179.3	0	0	0	0	0	112.2	L353 Q358 L359 G364 F365 V366 M396 I415	L353-A362 HydrophobicContact CD2-CB 4.12Å; Q358-A362 PolarHBondContact O-N 3.12Å; L359-A362 PolarHBondContact O-N 3.48Å; A362-G364 VanDerWaalsContact C-N 3.29Å; A362-G364 PolarHBondContact O-N 3.06Å; A362-F365 PolarHBondContact O-N 3.04Å; A362-V366 PolarHBondContact O-N 3.36Å; A362-M396 HydrophobicContact CB-SD 3.82Å; A362-I415 HydrophobicContact CB-CG2 4.33Å
363	L	98.8	Very high	98.7	Very high	23 Å²	23	47 Å²	47	12%	0.12	25%	0.25	C	C	.	.	H	α-helix	trans	-62.6	-36.7	174.4	-69.1	170.6	0	0	0	112.2	L359 V366 T367 P382 M396	L359-L363 HydrophobicContact CD1-CD1 3.8Å; L359-L363 HydrophobicContact CD1-CG 4.08Å; L359-L363 HydrophobicContact CG-CD1 3.92Å; L359-L363 WeakPolarHBondContact O-CG 3.18Å; L359-L363 PolarHBondContact O-N 2.87Å; L363-V366 PolarHBondContact O-N 3.42Å; L363-T367 WeakPolarHBondContact O-CB 3.24Å; L363-T367 PolarHBondContact O-N 3.06Å; L363-T367 PolarHBondContact O-OG1 3.41Å; L363-P382 HydrophobicContact CD1-CG 3.83Å; L363-P382 HydrophobicContact CD2-CG 4.37Å; L363-M396 HydrophobicContact CD2-CB 4.18Å; L363-M396 HydrophobicContact CD2-CE 4.11Å
364	G	98.8	Very high	98.7	Very high	38 Å²	38	47.4 Å²	47.4	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-44.8	173	0	0	0	0	0	112.4	D360 K361 A362 T367 Q368	D360-G364 PolarHBondContact O-N 2.96Å; K361-G364 PolarHBondContact O-N 3.49Å; A362-G364 VanDerWaalsContact C-N 3.29Å; A362-G364 PolarHBondContact O-N 3.06Å; G364-T367 PolarHBondContact O-N 3.42Å; G364-Q368 WeakPolarHBondContact O-CB 3.47Å; G364-Q368 PolarHBondContact O-N 3.4Å
365	F	98.8	Very high	98.7	Very high	36 Å²	36	52.9 Å²	52.9	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-42.3	175.4	-83	-73.8	0	0	0	112.9	K361 A362 T367 Q368 A369 T409 E413 I415	K361-F365 HydrophobicContact CD-CE2 4.33Å; K361-F365 HydrophobicContact CG-CD2 4.07Å; K361-F365 HydrophobicContact CG-CE2 3.75Å; K361-F365 VanDerWaalsContact O-CD2 3.24Å; K361-F365 WeakPolarHBondContact O-CD2 3.34Å; K361-F365 PolarHBondContact O-N 2.93Å; A362-F365 PolarHBondContact O-N 3.04Å; F365-T367 VanDerWaalsContact C-N 3.32Å; F365-T367 PolarHBondContact O-N 3.31Å; F365-Q368 PolarHBondContact O-N 2.8Å; F365-A369 WeakPolarHBondContact O-CB 3.06Å; F365-A369 PolarHBondContact O-N 2.69Å; F365-T409 HydrophobicContact CD1-CG2 4.11Å; F365-T409 HydrophobicContact CE1-CG2 3.8Å; F365-E413 HydrophobicContact CE1-CB 3.85Å; F365-E413 HydrophobicContact CE1-CG 4.43Å; F365-E413 HydrophobicContact CZ-CB 4.19Å; F365-I415 HydrophobicContact CB-CD1 4.07Å; F365-I415 HydrophobicContact CB-CG1 4.01Å; F365-I415 HydrophobicContact CB-CG2 4Å; F365-I415 HydrophobicContact CD1-CG1 4.08Å; F365-I415 HydrophobicContact CD2-CB 4.25Å; F365-I415 HydrophobicContact CD2-CG1 4.14Å; F365-I415 HydrophobicContact CD2-CG2 3.89Å; F365-I415 HydrophobicContact CG-CB 4.41Å; F365-I415 HydrophobicContact CG-CD1 4.39Å; F365-I415 HydrophobicContact CG-CG1 3.83Å; F365-I415 HydrophobicContact CG-CG2 4.14Å
366	V	98.8	Very high	98.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-44.4	176	175.6	0	0	0	0	110.5	A362 L363 Q368 A369 K370 M396 V419	A362-V366 PolarHBondContact O-N 3.36Å; L363-V366 PolarHBondContact O-N 3.42Å; V366-Q368 VanDerWaalsContact C-N 3.33Å; V366-Q368 PolarHBondContact O-N 3.31Å; V366-A369 PolarHBondContact O-N 3.3Å; V366-K370 HydrophobicContact CG1-CD 4.39Å; V366-K370 WeakPolarHBondContact O-CG 3.3Å; V366-K370 PolarHBondContact O-N 3.43Å; V366-M396 HydrophobicContact CG2-CE 4.5Å; V366-V419 HydrophobicContact CG2-CG1 4.25Å; V366-V419 HydrophobicContact CG2-CG2 3.74Å
367	T	98.7	Very high	98.7	Very high	70 Å²	70	51 Å²	51	43%	0.429	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-44	177.2	-59.7	0	0	0	0	111.4	L363 G364 F365 K370 K371	L363-T367 WeakPolarHBondContact O-CB 3.24Å; L363-T367 PolarHBondContact O-N 3.06Å; L363-T367 PolarHBondContact O-OG1 3.41Å; G364-T367 PolarHBondContact O-N 3.42Å; F365-T367 VanDerWaalsContact C-N 3.32Å; F365-T367 PolarHBondContact O-N 3.31Å; T367-K370 PolarHBondContact O-N 2.82Å; T367-K371 WeakPolarHBondContact O-CG 3.42Å; T367-K371 PolarHBondContact O-N 3.21Å
368	Q	98.8	Very high	98.7	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-42.1	177.4	-176.6	58.7	26.8	0	0	111.9	G364 F365 V366 K370 K371 E372	G364-Q368 WeakPolarHBondContact O-CB 3.47Å; G364-Q368 PolarHBondContact O-N 3.4Å; F365-Q368 PolarHBondContact O-N 2.8Å; V366-Q368 VanDerWaalsContact C-N 3.33Å; V366-Q368 PolarHBondContact O-N 3.31Å; Q368-K370 VanDerWaalsContact C-N 3.32Å; Q368-K370 PolarHBondContact O-N 2.59Å; Q368-K371 WeakPolarHBondContact O-CA 3.3Å; Q368-K371 WeakPolarHBondContact O-CB 3.44Å; Q368-K371 PolarHBondContact O-N 2.57Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.33Å; Q368-E372 PolarHBondContact NE2-OE1 3.1Å; Q368-E372 WeakPolarHBondContact O-CG 3.27Å; Q368-E372 PolarHBondContact O-N 3.08Å
369	A	98.8	Very high	98.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-43.2	176.9	0	0	0	0	0	111.9	F365 V366 K371 E372 G373 A374 L401 C410	F365-A369 WeakPolarHBondContact O-CB 3.06Å; F365-A369 PolarHBondContact O-N 2.69Å; V366-A369 PolarHBondContact O-N 3.3Å; A369-K371 VanDerWaalsContact C-N 3.28Å; A369-K371 PolarHBondContact O-N 3.19Å; A369-E372 PolarHBondContact O-N 2.84Å; A369-E372 VanDerWaalsContact O-N 3.14Å; A369-G373 PolarHBondContact O-N 2.75Å; A369-A374 HydrophobicContact CB-CB 3.99Å; A369-A374 VanDerWaalsContact O-CB 3.31Å; A369-A374 WeakPolarHBondContact O-CB 3.31Å; A369-A374 PolarHBondContact O-N 2.77Å; A369-L401 HydrophobicContact CB-CD1 3.78Å; A369-C410 HydrophobicContact CB-CB 3.92Å
370	K	98.6	Very high	98.6	Very high	87 Å²	87	46.5 Å²	46.5	38%	0.378	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-39.7	174.3	-69.9	171.7	-178.4	173.9	0	111.6	V366 T367 Q368 G373 A374 D381	V366-K370 HydrophobicContact CG1-CD 4.39Å; V366-K370 WeakPolarHBondContact O-CG 3.3Å; V366-K370 PolarHBondContact O-N 3.43Å; T367-K370 PolarHBondContact O-N 2.82Å; Q368-K370 VanDerWaalsContact C-N 3.32Å; Q368-K370 PolarHBondContact O-N 2.59Å; K370-G373 PolarHBondContact O-N 3.43Å; K370-A374 WeakPolarHBondContact CA-O 3.31Å; K370-D381 IonicContact NZ-OD1 3.93Å
371	K	98.6	Very high	98.6	Very high	159 Å²	159	46.8 Å²	46.8	69%	0.691	25%	0.253	S	S	*	.	H	α-helix	trans	-68.4	-32.2	176.2	-67.7	175.1	-178.1	177.5	0	113.3	T367 Q368 A369 G373	T367-K371 WeakPolarHBondContact O-CG 3.42Å; T367-K371 PolarHBondContact O-N 3.21Å; Q368-K371 WeakPolarHBondContact O-CA 3.3Å; Q368-K371 WeakPolarHBondContact O-CB 3.44Å; Q368-K371 PolarHBondContact O-N 2.57Å; A369-K371 VanDerWaalsContact C-N 3.28Å; A369-K371 PolarHBondContact O-N 3.19Å; K371-G373 PolarHBondContact O-N 2.81Å
372	E	98.7	Very high	98.6	Very high	43 Å²	43	46.5 Å²	46.5	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-80.9	-5	178.9	-68.4	173.6	-171.7	0	0	113.3	Q368 A369 R405 M408 T409	Q368-E372 WeakPolarHBondContact CG-OE1 3.33Å; Q368-E372 PolarHBondContact NE2-OE1 3.1Å; Q368-E372 WeakPolarHBondContact O-CG 3.27Å; Q368-E372 PolarHBondContact O-N 3.08Å; A369-E372 PolarHBondContact O-N 2.84Å; A369-E372 VanDerWaalsContact O-N 3.14Å; E372-R405 PolarHBondContact O-NH1 3.42Å; E372-R405 PolarHBondContact O-NH2 2.95Å; E372-M408 HydrophobicContact CB-CG 4.21Å; E372-M408 WeakPolarHBondContact O-CE 3.37Å; E372-M408 WeakPolarHBondContact OE2-CA 3.33Å; E372-M408 WeakPolarHBondContact OE2-CB 3.19Å; E372-T409 WeakPolarHBondContact OE1-CB 3.35Å; E372-T409 PolarHBondContact OE1-OG1 3.15Å; E372-T409 PolarHBondContact OE2-N 2.79Å; E372-T409 PolarHBondContact OE2-OG1 3.18Å
373	G	98.5	Very high	98.6	Very high	33 Å²	33	50.2 Å²	50.2	34%	0.34	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.6	4.2	174.7	0	0	0	0	0	115.1	A369 K370 K371 N403	A369-G373 PolarHBondContact O-N 2.75Å; K370-G373 PolarHBondContact O-N 3.43Å; K371-G373 PolarHBondContact O-N 2.81Å; G373-N403 PolarHBondContact O-ND2 3.4Å
374	A	98.6	Very high	98.5	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	30%	0.301	C	S	.	.			trans	-69.9	149.4	171.2	0	0	0	0	0	110.5	A369 K370 E402 M408	A369-A374 HydrophobicContact CB-CB 3.99Å; A369-A374 VanDerWaalsContact O-CB 3.31Å; A369-A374 WeakPolarHBondContact O-CB 3.31Å; A369-A374 PolarHBondContact O-N 2.77Å; K370-A374 WeakPolarHBondContact CA-O 3.31Å; A374-E402 WeakPolarHBondContact CA-O 3.38Å; A374-M408 HydrophobicContact CB-CE 4.28Å; A374-M408 HydrophobicContact CB-SD 3.92Å
375	K	98.5	Very high	98.4	Very high	120 Å²	120	52.5 Å²	52.5	52%	0.522	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.3	178.5	-177.3	-175.1	174.6	-166.2	0	109.7	L377 L401 E402	K375-L377 HydrophobicContact CD-CD2 4Å; K375-L377 HydrophobicContact CG-CD2 4.32Å; K375-L377 PolarHBondContact O-N 2.95Å; K375-L401 CarbonylContact O-C 3.53Å; K375-L401 WeakPolarHBondContact O-CA 3.47Å; K375-E402 PolarHBondContact N-O 3.04Å; K375-E402 PolarHBondContact O-N 3.35Å
376	A	98.5	Very high	98.2	Very high	31 Å²	31	57.8 Å²	57.8	26%	0.256	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.1	169.8	0	0	0	0	0	109.7	L401	A376-L401 HydrophobicContact CB-CD2 4Å
377	L	98.8	Very high	98.1	Very high	42 Å²	42	60.5 Å²	60.5	22%	0.22	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-27.5	175.8	-64.1	-175.9	0	0	0	112.2	L328 V332 K375 V400 E402	L328-L377 HydrophobicContact CB-CD1 4.41Å; L328-L377 HydrophobicContact CD1-CD1 4.33Å; L328-L377 HydrophobicContact CD2-CD1 3.78Å; L328-L377 HydrophobicContact CG-CD1 4.41Å; V332-L377 HydrophobicContact CG1-CB 4.44Å; V332-L377 HydrophobicContact CG2-CB 3.58Å; V332-L377 HydrophobicContact CG2-CD1 3.71Å; V332-L377 HydrophobicContact CG2-CG 4.31Å; K375-L377 HydrophobicContact CD-CD2 4Å; K375-L377 HydrophobicContact CG-CD2 4.32Å; K375-L377 PolarHBondContact O-N 2.95Å; L377-V400 HydrophobicContact CD1-CG1 4.47Å; L377-V400 PolarHBondContact N-O 3.24Å; L377-E402 HydrophobicContact CD1-CB 3.77Å; L377-E402 HydrophobicContact CD1-CG 4.19Å; L377-E402 HydrophobicContact CD2-CB 4.19Å; L377-E402 WeakPolarHBondContact CD2-OE2 3.4Å; L377-E402 HydrophobicContact CG-CB 3.81Å
378	C	98.8	Very high	98	Very high	12 Å²	12	62.4 Å²	62.4	8%	0.081	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.2	170.1	63.1	0	0	0	0	111.4	V332 K336 C399 V400	V332-C378 HydrophobicContact CG1-CB 4.06Å; K336-C378 HydrophobicContact CD-CB 4.28Å; K336-C378 VanDerWaalsContact CE-CB 3.47Å; K336-C378 HydrophobicContact CG-CB 3.8Å; C378-C399 WeakPolarHBondContact O-CA 3.46Å; C378-C399 PolarHBondContact O-SG 3.1Å; C378-C399 VanDerWaalsContact O-SG 3.36Å; C378-V400 PolarHBondContact O-N 3.48Å
379	G	98.4	Very high	97.9	Very high	20 Å²	20	63 Å²	63	21%	0.206	35%	0.35	C	S	.	.			trans	55	-154.7	170.1	0	0	0	0	0	115.3	S397 P398	G379-S397 WeakPolarHBondContact CA-OG 3.48Å; G379-P398 WeakPolarHBondContact CA-O 3.3Å
380	G	98	Very high	97.9	Very high	3 Å²	3	63 Å²	63	3%	0.031	35%	0.351	C	S	.	.			trans	81.2	22	-174	0	0	0	0	0	113.6	S397	G380-S397 PolarHBondContact N-O 3.44Å; G380-S397 PolarHBondContact N-OG 3.48Å; G380-S397 VanDerWaalsContact N-OG 3.15Å
381	D	98.4	Very high	97.9	Very high	80 Å²	80	66.9 Å²	66.9	43%	0.428	37%	0.367	S	S	.	.	S	Bend	trans	-121.4	154.4	177.8	-55.3	-57	0	0	0	110.1	K370 F383 M396 S397	K370-D381 IonicContact NZ-OD1 3.93Å; D381-F383 PolarHBondContact O-N 3.44Å; D381-M396 WeakPolarHBondContact O-CA 3.41Å; D381-M396 WeakPolarHBondContact O-CB 3.22Å; D381-S397 PolarHBondContact N-OG 3.23Å; D381-S397 VanDerWaalsContact N-OG 3.14Å; D381-S397 PolarHBondContact O-N 2.96Å; D381-S397 PolarHBondContact O-OG 3.45Å
382	P	98.1	Very high	97.8	Very high	96 Å²	96	61.5 Å²	61.5	62%	0.623	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-51.6	139.7	170	-21.6	31	0	0	0	110.9	L363	L363-P382 HydrophobicContact CD1-CG 3.83Å; L363-P382 HydrophobicContact CD2-CG 4.37Å
383	F	97.9	Very high	97.8	Very high	78 Å²	78	60.1 Å²	60.1	34%	0.342	35%	0.354	S	S	.	.			trans	-122.3	139.5	179.3	-175.8	-102.9	0	0	0	109.8	V340 D381 P385 F395	V340-F383 HydrophobicContact CB-CD1 4.05Å; V340-F383 HydrophobicContact CB-CE1 3.82Å; V340-F383 HydrophobicContact CB-CZ 4.49Å; V340-F383 HydrophobicContact CG1-CD1 3.78Å; V340-F383 HydrophobicContact CG1-CE1 4.01Å; D381-F383 PolarHBondContact O-N 3.44Å; F383-P385 HydrophobicContact CD1-CG 3.97Å; F383-P385 HydrophobicContact CE1-CB 4.17Å; F383-P385 HydrophobicContact CE1-CG 3.84Å; F383-F395 HydrophobicContact CB-CB 4.2Å; F383-F395 HydrophobicContact CD1-CB 4.27Å; F383-F395 PolarHBondContact N-O 2.95Å; F383-F395 VanDerWaalsContact N-O 3.11Å; F383-F395 WeakPolarHBondContact O-CB 3.45Å
384	V	97	Very high	97.8	Very high	98 Å²	98	59.5 Å²	59.5	59%	0.594	34%	0.342	S	S	*	.			trans	-122.3	106.9	174.8	-176.9	0	0	0	0	107	K391	V384-K391 HydrophobicContact CG1-CG 4.42Å
385	P	96.6	Very high	97.8	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.071	34%	0.339	C	S	.	.			trans	-58	154.8	175.6	-23.9	33.6	0	0	0	112.1	F383 D387 L390 F395	F383-P385 HydrophobicContact CD1-CG 3.97Å; F383-P385 HydrophobicContact CE1-CB 4.17Å; F383-P385 HydrophobicContact CE1-CG 3.84Å; P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 PolarHBondContact O-N 2.84Å; P385-L390 HydrophobicContact CB-CB 4.02Å; P385-L390 HydrophobicContact CB-CD1 3.68Å; P385-L390 HydrophobicContact CB-CG 4.5Å; P385-L390 HydrophobicContact CG-CB 4.04Å; P385-L390 HydrophobicContact CG-CD1 3.99Å; P385-F395 HydrophobicContact CG-CD1 4.18Å; P385-F395 HydrophobicContact CG-CD2 3.73Å; P385-F395 HydrophobicContact CG-CE1 4.21Å; P385-F395 HydrophobicContact CG-CE2 3.78Å; P385-F395 HydrophobicContact CG-CG 3.94Å; P385-F395 HydrophobicContact CG-CZ 4.03Å
386	T	95.6	Very high	97.8	Very high	147 Å²	147	53.6 Å²	53.6	90%	0.902	31%	0.314	S	S	*	.	S	Bend	trans	-69.5	-27.2	-177.7	49.7	0	0	0	0	113.7	P388	T386-P388 WeakPolarHBondContact O-CD 3.13Å
387	D	96.6	Very high	97.8	Very high	57 Å²	57	53.1 Å²	53.1	31%	0.305	31%	0.309	S	S	.	.	S	Bend	trans	-66.6	117.7	176.1	-174.2	-21.4	0	0	0	110.1	P385 K389 L390	P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 PolarHBondContact O-N 2.84Å; D387-K389 PolarHBondContact O-N 3.46Å; D387-K389 VanDerWaalsContact O-N 3.08Å; D387-K389 VanDerWaalsContact OD1-CG 3.3Å; D387-K389 WeakPolarHBondContact OD1-CG 3Å; D387-K389 PolarHBondContact OD1-N 3.28Å; D387-K389 VanDerWaalsContact OD1-N 3.1Å; D387-K389 WeakPolarHBondContact OD2-CD 3.37Å; D387-K389 WeakPolarHBondContact OD2-CE 3.35Å; D387-K389 IonicContact OD2-NZ 2.81Å; D387-K389 PolarHBondContact OD2-NZ 3.28Å; D387-L390 HydrophobicContact CB-CD1 3.98Å; D387-L390 HydrophobicContact CB-CG 4.07Å; D387-L390 WeakPolarHBondContact O-CB 3.5Å; D387-L390 PolarHBondContact O-N 2.72Å
388	P	96.6	Very high	97.8	Very high	110 Å²	110	51.7 Å²	51.7	71%	0.714	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-56	-29.1	-176.2	-26.7	35.2	0	0	0	114.7	T386 L390 K391	T386-P388 WeakPolarHBondContact O-CD 3.13Å; P388-L390 PolarHBondContact O-N 3.45Å; P388-K391 WeakPolarHBondContact O-CB 3.31Å; P388-K391 PolarHBondContact O-N 3.35Å
389	K	97	Very high	97.8	Very high	86 Å²	86	51.1 Å²	51.1	37%	0.374	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-67.7	-18.9	-179.6	82	-163.7	-177.5	-169.6	0	112.7	D342 D387	D342-K389 WeakPolarHBondContact OD2-CE 3.4Å; D342-K389 IonicContact OD2-NZ 3.18Å; D342-K389 PolarHBondContact OD2-NZ 2.92Å; D387-K389 PolarHBondContact O-N 3.46Å; D387-K389 VanDerWaalsContact O-N 3.08Å; D387-K389 VanDerWaalsContact OD1-CG 3.3Å; D387-K389 WeakPolarHBondContact OD1-CG 3Å; D387-K389 PolarHBondContact OD1-N 3.28Å; D387-K389 VanDerWaalsContact OD1-N 3.1Å; D387-K389 WeakPolarHBondContact OD2-CD 3.37Å; D387-K389 WeakPolarHBondContact OD2-CE 3.35Å; D387-K389 IonicContact OD2-NZ 2.81Å; D387-K389 PolarHBondContact OD2-NZ 3.28Å
390	L	98.3	Very high	97.8	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-93.8	-1.3	-177.8	-55.8	-177.7	0	0	0	113.3	T26 A58 D342 P385 D387 P388 G392 G393 F395	T26-L390 HydrophobicContact CG2-CD2 3.88Å; A58-L390 HydrophobicContact CB-CD2 4.23Å; A58-L390 WeakPolarHBondContact O-CA 3.44Å; A58-L390 WeakPolarHBondContact O-CD2 3.3Å; D342-L390 HydrophobicContact CB-CD1 4.04Å; D342-L390 HydrophobicContact CB-CD2 4.41Å; P385-L390 HydrophobicContact CB-CB 4.02Å; P385-L390 HydrophobicContact CB-CD1 3.68Å; P385-L390 HydrophobicContact CB-CG 4.5Å; P385-L390 HydrophobicContact CG-CB 4.04Å; P385-L390 HydrophobicContact CG-CD1 3.99Å; D387-L390 HydrophobicContact CB-CD1 3.98Å; D387-L390 HydrophobicContact CB-CG 4.07Å; D387-L390 WeakPolarHBondContact O-CB 3.5Å; D387-L390 PolarHBondContact O-N 2.72Å; P388-L390 PolarHBondContact O-N 3.45Å; L390-G392 PolarHBondContact O-N 2.84Å; L390-G392 VanDerWaalsContact O-N 3.11Å; L390-G393 PolarHBondContact O-N 2.96Å; L390-F395 HydrophobicContact CB-CE2 3.96Å; L390-F395 HydrophobicContact CB-CZ 4.34Å; L390-F395 HydrophobicContact CD1-CZ 4.35Å; L390-F395 HydrophobicContact CD2-CZ 4.38Å
391	K	97.4	Very high	97.9	Very high	168 Å²	168	50 Å²	50	73%	0.73	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	-174.8	-174.3	179.3	178.7	-177.4	0	113.8	V384 P388	V384-K391 HydrophobicContact CG1-CG 4.42Å; P388-K391 WeakPolarHBondContact O-CB 3.31Å; P388-K391 PolarHBondContact O-N 3.35Å
392	G	97	Very high	97.9	Very high	45 Å²	45	48.8 Å²	48.8	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.2	178	0	0	0	0	0	115	T59 G60 L390	T59-G392 CarbonylContact O-C 3.54Å; T59-G392 VanDerWaalsContact O-C 3.24Å; T59-G392 VanDerWaalsContact O-CA 3.31Å; T59-G392 WeakPolarHBondContact O-CA 3.4Å; G60-G392 WeakPolarHBondContact CA-O 3.22Å; L390-G392 PolarHBondContact O-N 2.84Å; L390-G392 VanDerWaalsContact O-N 3.11Å
393	G	98.3	Very high	97.8	Very high	14 Å²	14	49 Å²	49	14%	0.144	28%	0.275	C	S	.	.	S	Bend	trans	-75.9	162.5	-175.3	0	0	0	0	0	114.4	P57 A58 L390 F395	P57-G393 CarbonylContact O-C 3.24Å; P57-G393 WeakPolarHBondContact O-CA 3.39Å; A58-G393 WeakPolarHBondContact O-CA 3.38Å; L390-G393 PolarHBondContact O-N 2.96Å; G393-F395 PolarHBondContact O-N 2.89Å
394	Y	98.8	Very high	97.8	Very high	21 Å²	21	45.9 Å²	45.9	8%	0.082	26%	0.262	C	S	.	.			trans	-93.7	59.2	-171.5	-46.1	-38.3	0	0	0	112.3	F55 P57 L353 S355 K356	F55-Y394 HydrophobicContact CB-CE2 4.24Å; F55-Y394 WeakPolarHBondContact CD1-OH 3.44Å; F55-Y394 WeakPolarHBondContact CG-OH 3.18Å; P57-Y394 HydrophobicContact CB-CD2 4.06Å; P57-Y394 PolarHBondContact O-N 2.71Å; L353-Y394 PolarHBondContact N-O 3.2Å; L353-Y394 WeakPolarHBondContact O-CB 3.38Å; S355-Y394 VanDerWaalsContact CA-CD2 3.45Å; K356-Y394 HydrophobicContact CB-CD1 4.06Å; K356-Y394 HydrophobicContact CB-CE1 3.95Å; K356-Y394 HydrophobicContact CD-CD1 4.33Å
395	F	98.8	Very high	97.9	Very high	3 Å²	3	46 Å²	46	1%	0.013	25%	0.252	C	S	.	.			trans	-95	145.2	-174.8	-57.5	-87.4	0	0	0	113.3	A58 V340 G341 A352 F383 P385 L390 G393	A58-F395 HydrophobicContact CB-CZ 4.19Å; A58-F395 VanDerWaalsContact O-CE2 3.31Å; A58-F395 WeakPolarHBondContact O-CE2 3.3Å; V340-F395 HydrophobicContact CG1-CD1 3.88Å; G341-F395 WeakPolarHBondContact O-CE1 3.18Å; A352-F395 HydrophobicContact CB-CD1 3.85Å; A352-F395 HydrophobicContact CB-CD2 4.34Å; A352-F395 HydrophobicContact CB-CE1 3.7Å; A352-F395 HydrophobicContact CB-CE2 4.2Å; A352-F395 HydrophobicContact CB-CG 4.18Å; A352-F395 HydrophobicContact CB-CZ 3.88Å; F383-F395 HydrophobicContact CB-CB 4.2Å; F383-F395 HydrophobicContact CD1-CB 4.27Å; F383-F395 PolarHBondContact N-O 2.95Å; F383-F395 VanDerWaalsContact N-O 3.11Å; F383-F395 WeakPolarHBondContact O-CB 3.45Å; P385-F395 HydrophobicContact CG-CD1 4.18Å; P385-F395 HydrophobicContact CG-CD2 3.73Å; P385-F395 HydrophobicContact CG-CE1 4.21Å; P385-F395 HydrophobicContact CG-CE2 3.78Å; P385-F395 HydrophobicContact CG-CG 3.94Å; P385-F395 HydrophobicContact CG-CZ 4.03Å; L390-F395 HydrophobicContact CB-CE2 3.96Å; L390-F395 HydrophobicContact CB-CZ 4.34Å; L390-F395 HydrophobicContact CD1-CZ 4.35Å; L390-F395 HydrophobicContact CD2-CZ 4.38Å; G393-F395 PolarHBondContact O-N 2.89Å
396	M	98.7	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-135.4	161	162.8	64	-176.9	-71.2	0	0	110	M350 L353 L359 A362 L363 V366 D381 P418 V419	M350-M396 WeakPolarHBondContact CE-O 3.28Å; L353-M396 HydrophobicContact CD1-CG 3.63Å; L353-M396 HydrophobicContact CD1-SD 4.02Å; L353-M396 HydrophobicContact CD2-SD 4.26Å; L359-M396 HydrophobicContact CD1-CB 3.7Å; L359-M396 HydrophobicContact CD1-CG 4.09Å; L359-M396 HydrophobicContact CD1-SD 4.21Å; A362-M396 HydrophobicContact CB-SD 3.82Å; L363-M396 HydrophobicContact CD2-CB 4.18Å; L363-M396 HydrophobicContact CD2-CE 4.11Å; V366-M396 HydrophobicContact CG2-CE 4.5Å; D381-M396 WeakPolarHBondContact O-CA 3.41Å; D381-M396 WeakPolarHBondContact O-CB 3.22Å; M396-P418 HydrophobicContact CE-CG 4.22Å; M396-P418 HydrophobicContact CG-CG 3.83Å; M396-P418 HydrophobicContact SD-CG 3.84Å; M396-V419 HydrophobicContact CE-CG2 4.31Å
397	S	98.7	Very high	98.1	Very high	22 Å²	22	45.2 Å²	45.2	15%	0.154	24%	0.242	C	C	.	.			trans	-77	137.5	171.8	49	0	0	0	0	111	G379 G380 D381	G379-S397 WeakPolarHBondContact CA-OG 3.48Å; G380-S397 PolarHBondContact N-O 3.44Å; G380-S397 PolarHBondContact N-OG 3.48Å; G380-S397 VanDerWaalsContact N-OG 3.15Å; D381-S397 PolarHBondContact N-OG 3.23Å; D381-S397 VanDerWaalsContact N-OG 3.14Å; D381-S397 PolarHBondContact O-N 2.96Å; D381-S397 PolarHBondContact O-OG 3.45Å
398	P	98.8	Very high	98.2	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.078	23%	0.228	C	C	.	.			trans	-66.5	139.6	179.4	29.2	-32.8	0	0	0	110.5	F304 T335 I338 M350 G379 P418	F304-P398 HydrophobicContact CD1-CB 3.88Å; F304-P398 HydrophobicContact CE1-CB 3.86Å; T335-P398 HydrophobicContact CG2-CB 3.76Å; T335-P398 HydrophobicContact CG2-CG 3.76Å; I338-P398 HydrophobicContact CB-CG 4.24Å; I338-P398 HydrophobicContact CD1-CB 4.35Å; I338-P398 HydrophobicContact CD1-CG 4.15Å; M350-P398 HydrophobicContact CE-CB 4.14Å; M350-P398 HydrophobicContact CE-CG 4.15Å; M350-P398 HydrophobicContact SD-CB 4.07Å; M350-P398 HydrophobicContact SD-CG 4.47Å; G379-P398 WeakPolarHBondContact CA-O 3.3Å; P398-P418 HydrophobicContact CB-CB 4.26Å
399	C	98.9	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.9	-164.6	-168.6	0	0	0	0	112.7	C378 P418 V419 M420	C378-C399 WeakPolarHBondContact O-CA 3.46Å; C378-C399 PolarHBondContact O-SG 3.1Å; C378-C399 VanDerWaalsContact O-SG 3.36Å; C399-P418 PolarHBondContact N-O 3.12Å; C399-V419 HydrophobicContact CB-CB 4.45Å; C399-V419 HydrophobicContact CB-CG1 4.29Å; C399-V419 HydrophobicContact CB-CG2 4.14Å; C399-M420 PolarHBondContact O-N 2.83Å
400	V	98.9	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.9	168.4	-179.4	0	0	0	0	108.2	F304 V331 V332 T335 L377 C378 M420 V422	F304-V400 HydrophobicContact CZ-CG2 4.26Å; V331-V400 HydrophobicContact CG1-CG1 4.48Å; V332-V400 HydrophobicContact CG2-CB 4.32Å; V332-V400 HydrophobicContact CG2-CG1 4.24Å; T335-V400 HydrophobicContact CG2-CG2 4.08Å; L377-V400 HydrophobicContact CD1-CG1 4.47Å; L377-V400 PolarHBondContact N-O 3.24Å; C378-V400 PolarHBondContact O-N 3.48Å; V400-M420 HydrophobicContact CG2-SD 4.49Å; V400-V422 HydrophobicContact CG1-CG2 3.83Å
401	L	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132	175.6	-58.6	178.2	0	0	0	110	A369 K375 A376 C410 V419 M420 V422	A369-L401 HydrophobicContact CB-CD1 3.78Å; K375-L401 CarbonylContact O-C 3.53Å; K375-L401 WeakPolarHBondContact O-CA 3.47Å; A376-L401 HydrophobicContact CB-CD2 4Å; L401-C410 HydrophobicContact CD1-CB 4.24Å; L401-V419 HydrophobicContact CD1-CG1 3.62Å; L401-V419 HydrophobicContact CG-CG1 3.96Å; L401-M420 PolarHBondContact N-O 3.41Å; L401-V422 PolarHBondContact O-N 3.45Å
402	E	97.9	Very high	98.5	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.248	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	174.3	171.8	-161.3	-156.8	-169.5	0	0	109.5	M324 L328 A374 K375 L377 C404	M324-E402 HydrophobicContact CE-CG 4.32Å; L328-E402 HydrophobicContact CD1-CG 3.81Å; L328-E402 WeakPolarHBondContact CD1-OE1 3.36Å; L328-E402 HydrophobicContact CD2-CG 4.42Å; A374-E402 WeakPolarHBondContact CA-O 3.38Å; K375-E402 PolarHBondContact N-O 3.04Å; K375-E402 PolarHBondContact O-N 3.35Å; L377-E402 HydrophobicContact CD1-CB 3.77Å; L377-E402 HydrophobicContact CD1-CG 4.19Å; L377-E402 HydrophobicContact CD2-CB 4.19Å; L377-E402 WeakPolarHBondContact CD2-OE2 3.4Å; L377-E402 HydrophobicContact CG-CB 3.81Å; E402-C404 PolarHBondContact O-N 3.25Å
403	N	97.2	Very high	98.6	Very high	100 Å²	100	35 Å²	35	54%	0.535	18%	0.177	S	C	.	.	S	Bend	trans	57.5	29.4	-178	-161.9	43.2	0	0	0	112.1	G373 M408	G373-N403 PolarHBondContact O-ND2 3.4Å; N403-M408 VanDerWaalsContact O-CE 3.24Å; N403-M408 WeakPolarHBondContact O-CE 3.14Å
404	C	98.4	Very high	98.6	Very high	13 Å²	13	36 Å²	36	9%	0.088	18%	0.178	C	C	.	.			trans	-76.2	142	176.6	-71	0	0	0	0	110.4	E402 M408 V411 L423	E402-C404 PolarHBondContact O-N 3.25Å; C404-M408 HydrophobicContact CB-SD 4.42Å; C404-V411 HydrophobicContact CB-CG2 3.83Å; C404-L423 HydrophobicContact CB-CD1 4.42Å; C404-L423 HydrophobicContact CB-CD2 4.3Å; C404-L423 HydrophobicContact CB-CG 3.94Å
405	R	98.5	Very high	98.6	Very high	101 Å²	101	35.3 Å²	35.3	38%	0.381	18%	0.176	S	C	.	.			trans	-122.2	152.5	174.1	-59.5	-177.4	-51.7	-85.7	-5	109.8	E372 D407 M408 V411	E372-R405 PolarHBondContact O-NH1 3.42Å; E372-R405 PolarHBondContact O-NH2 2.95Å; R405-D407 WeakPolarHBondContact CB-OD1 3.29Å; R405-D407 IonicContact CZ-OD1 2.89Å; R405-D407 IonicContact NE-OD1 2.75Å; R405-D407 PolarHBondContact NE-OD1 2.99Å; R405-D407 IonicContact NE-OD2 3.24Å; R405-D407 IonicContact NH2-OD1 3.38Å; R405-D407 IonicContact NH2-OD2 2.88Å; R405-D407 PolarHBondContact NH2-OD2 3.49Å; R405-D407 PolarHBondContact O-N 3.44Å; R405-M408 HydrophobicContact CB-CE 4.28Å; R405-M408 HydrophobicContact CB-CG 4.27Å; R405-M408 HydrophobicContact CG-CE 4.13Å; R405-M408 WeakPolarHBondContact O-CB 3.49Å; R405-M408 PolarHBondContact O-N 3.04Å; R405-V411 WeakPolarHBondContact O-CG2 3.29Å
406	D	98.7	Very high	98.6	Very high	52 Å²	52	36.8 Å²	36.8	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.5	-177	-61.8	-3.1	0	0	0	112.8	K412 L423 R434	D406-K412 VanDerWaalsContact O-CE 3.25Å; D406-K412 WeakPolarHBondContact O-CE 3.43Å; D406-L423 WeakPolarHBondContact OD1-CD2 3.25Å; D406-R434 IonicContact OD1-CZ 2.76Å; D406-R434 IonicContact OD1-NE 3.94Å; D406-R434 PolarHBondContact OD1-NE 3.08Å; D406-R434 IonicContact OD1-NH2 3.49Å; D406-R434 PolarHBondContact OD1-NH2 3.47Å; D406-R434 WeakPolarHBondContact OD2-CG 3.25Å; D406-R434 IonicContact OD2-CZ 3.57Å; D406-R434 IonicContact OD2-NE 2.75Å; D406-R434 PolarHBondContact OD2-NE 3.46Å; D406-R434 IonicContact OD2-NH2 2.75Å
407	D	98.5	Very high	98.6	Very high	90 Å²	90	36.9 Å²	36.9	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.2	178.2	66	-66.7	0	0	0	114.5	R405 K412	R405-D407 WeakPolarHBondContact CB-OD1 3.29Å; R405-D407 IonicContact CZ-OD1 2.89Å; R405-D407 IonicContact NE-OD1 2.75Å; R405-D407 PolarHBondContact NE-OD1 2.99Å; R405-D407 IonicContact NE-OD2 3.24Å; R405-D407 IonicContact NH2-OD1 3.38Å; R405-D407 IonicContact NH2-OD2 2.88Å; R405-D407 PolarHBondContact NH2-OD2 3.49Å; R405-D407 PolarHBondContact O-N 3.44Å; D407-K412 WeakPolarHBondContact O-CE 3.48Å; D407-K412 PolarHBondContact O-NZ 3.21Å
408	M	98.8	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.176	C	C	.	.	S	Bend	trans	-70	148.1	-173.4	-66.5	-176.9	178.4	0	0	113.4	E372 A374 N403 C404 R405 C410 V411 K412	E372-M408 HydrophobicContact CB-CG 4.21Å; E372-M408 WeakPolarHBondContact O-CE 3.37Å; E372-M408 WeakPolarHBondContact OE2-CA 3.33Å; E372-M408 WeakPolarHBondContact OE2-CB 3.19Å; A374-M408 HydrophobicContact CB-CE 4.28Å; A374-M408 HydrophobicContact CB-SD 3.92Å; N403-M408 VanDerWaalsContact O-CE 3.24Å; N403-M408 WeakPolarHBondContact O-CE 3.14Å; C404-M408 HydrophobicContact CB-SD 4.42Å; R405-M408 HydrophobicContact CB-CE 4.28Å; R405-M408 HydrophobicContact CB-CG 4.27Å; R405-M408 HydrophobicContact CG-CE 4.13Å; R405-M408 WeakPolarHBondContact O-CB 3.49Å; R405-M408 PolarHBondContact O-N 3.04Å; M408-C410 VanDerWaalsContact C-N 3.34Å; M408-C410 PolarHBondContact O-N 3.2Å; M408-V411 HydrophobicContact CB-CG2 4.2Å; M408-V411 PolarHBondContact O-N 2.95Å; M408-V411 VanDerWaalsContact O-N 3.1Å; M408-K412 PolarHBondContact O-N 3.42Å; M408-K412 VanDerWaalsContact O-N 3.1Å
409	T	98.8	Very high	98.6	Very high	49 Å²	49	35.3 Å²	35.3	30%	0.301	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-43.2	179	-58.2	0	0	0	0	111.5	F365 E372 V411 K412 E413	F365-T409 HydrophobicContact CD1-CG2 4.11Å; F365-T409 HydrophobicContact CE1-CG2 3.8Å; E372-T409 WeakPolarHBondContact OE1-CB 3.35Å; E372-T409 PolarHBondContact OE1-OG1 3.15Å; E372-T409 PolarHBondContact OE2-N 2.79Å; E372-T409 PolarHBondContact OE2-OG1 3.18Å; T409-V411 PolarHBondContact O-N 3.15Å; T409-K412 PolarHBondContact O-N 3.36Å; T409-E413 HydrophobicContact CG2-CB 4.45Å; T409-E413 HydrophobicContact CG2-CG 3.96Å; T409-E413 WeakPolarHBondContact O-CB 3.3Å; T409-E413 PolarHBondContact O-N 3.3Å
410	C	98.5	Very high	98.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-19.8	179.2	61.3	0	0	0	0	114.2	K281 A369 L401 M408 I415	K281-C410 VanDerWaalsContact CE-O 3.26Å; K281-C410 WeakPolarHBondContact CE-O 3.23Å; K281-C410 PolarHBondContact NZ-O 3.42Å; A369-C410 HydrophobicContact CB-CB 3.92Å; L401-C410 HydrophobicContact CD1-CB 4.24Å; M408-C410 VanDerWaalsContact C-N 3.34Å; M408-C410 PolarHBondContact O-N 3.2Å; C410-I415 HydrophobicContact CB-CD1 4.07Å
411	V	98.8	Very high	98.6	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-90.8	-30.4	177.3	-178.3	0	0	0	0	111.3	K281 R316 C404 R405 M408 T409 L423	K281-V411 VanDerWaalsContact CE-C 3.5Å; K281-V411 WeakPolarHBondContact CE-O 3.44Å; K281-V411 VanDerWaalsContact CG-O 3.28Å; K281-V411 WeakPolarHBondContact CG-O 3.43Å; R316-V411 WeakPolarHBondContact CD-O 3.42Å; R316-V411 HydrophobicContact CG-CG1 4.15Å; C404-V411 HydrophobicContact CB-CG2 3.83Å; R405-V411 WeakPolarHBondContact O-CG2 3.29Å; M408-V411 HydrophobicContact CB-CG2 4.2Å; M408-V411 PolarHBondContact O-N 2.95Å; M408-V411 VanDerWaalsContact O-N 3.1Å; T409-V411 PolarHBondContact O-N 3.15Å; V411-L423 HydrophobicContact CG1-CD2 4.14Å; V411-L423 HydrophobicContact CG2-CD2 4.35Å
412	K	98.8	Very high	98.6	Very high	108 Å²	108	35.4 Å²	35.4	47%	0.47	17%	0.173	S	C	.	.	H	α-helix	trans	-87	-40.8	179.5	-70.1	173.6	175.3	161.9	0	113.9	D406 D407 M408 T409	D406-K412 VanDerWaalsContact O-CE 3.25Å; D406-K412 WeakPolarHBondContact O-CE 3.43Å; D407-K412 WeakPolarHBondContact O-CE 3.48Å; D407-K412 PolarHBondContact O-NZ 3.21Å; M408-K412 PolarHBondContact O-N 3.42Å; M408-K412 VanDerWaalsContact O-N 3.1Å; T409-K412 PolarHBondContact O-N 3.36Å
413	E	98.6	Very high	98.6	Very high	91 Å²	91	33 Å²	33	43%	0.425	16%	0.162	S	C	.	.	S	Bend	trans	-94.7	148.8	-170.5	-61.7	-60.8	153	0	0	112.8	K281 F365 T409 I415	K281-E413 WeakPolarHBondContact CD-O 3.48Å; K281-E413 WeakPolarHBondContact CE-O 3.42Å; K281-E413 PolarHBondContact NZ-O 3.19Å; F365-E413 HydrophobicContact CE1-CB 3.85Å; F365-E413 HydrophobicContact CE1-CG 4.43Å; F365-E413 HydrophobicContact CZ-CB 4.19Å; T409-E413 HydrophobicContact CG2-CB 4.45Å; T409-E413 HydrophobicContact CG2-CG 3.96Å; T409-E413 WeakPolarHBondContact O-CB 3.3Å; T409-E413 PolarHBondContact O-N 3.3Å; E413-I415 PolarHBondContact O-N 3.36Å
414	E	98.4	Very high	98.7	Very high	35 Å²	35	30 Å²	30	16%	0.164	15%	0.148	C	C	.	.			trans	-76.9	109.6	171.2	-175.3	-178.3	-127.7	0	0	109.9	G279 G280 F416	G279-E414 WeakPolarHBondContact CA-OE1 3.24Å; G280-E414 PolarHBondContact N-OE1 2.82Å; E414-F416 HydrophobicContact CG-CB 4.28Å; E414-F416 HydrophobicContact CG-CD2 4.16Å
415	I	98.6	Very high	98.7	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	14%	0.144	C	C	.	.			trans	-75.6	-41.7	178.8	-58.4	176.5	0	0	0	110.5	Q358 A362 F365 C410 E413 V419	Q358-I415 PolarHBondContact NE2-O 3.13Å; A362-I415 HydrophobicContact CB-CG2 4.33Å; F365-I415 HydrophobicContact CB-CD1 4.07Å; F365-I415 HydrophobicContact CB-CG1 4.01Å; F365-I415 HydrophobicContact CB-CG2 4Å; F365-I415 HydrophobicContact CD1-CG1 4.08Å; F365-I415 HydrophobicContact CD2-CB 4.25Å; F365-I415 HydrophobicContact CD2-CG1 4.14Å; F365-I415 HydrophobicContact CD2-CG2 3.89Å; F365-I415 HydrophobicContact CG-CB 4.41Å; F365-I415 HydrophobicContact CG-CD1 4.39Å; F365-I415 HydrophobicContact CG-CG1 3.83Å; F365-I415 HydrophobicContact CG-CG2 4.14Å; C410-I415 HydrophobicContact CB-CD1 4.07Å; E413-I415 PolarHBondContact O-N 3.36Å; I415-V419 HydrophobicContact CD1-CB 3.98Å; I415-V419 HydrophobicContact CD1-CG1 3.9Å; I415-V419 HydrophobicContact CG2-CB 4.49Å; I415-V419 HydrophobicContact CG2-CG2 4.21Å
416	F	98.5	Very high	98.7	Very high	34 Å²	34	28.5 Å²	28.5	15%	0.149	15%	0.147	C	C	.	.			trans	58.1	51.1	-176.7	-145.5	-106.2	0	0	0	112.7	F179 N180 Q309 C311 Q358 E414	F179-F416 HydrophobicContact CE1-CE1 4.3Å; F179-F416 HydrophobicContact CE2-CD1 4.35Å; F179-F416 AromaticContact CE2-CE1 3.83Å; F179-F416 HydrophobicContact CE2-CE1 3.83Å; F179-F416 AromaticContact CZ-CD1 3.78Å; F179-F416 HydrophobicContact CZ-CD1 3.78Å; F179-F416 AromaticContact CZ-CE1 3.47Å; F179-F416 HydrophobicContact CZ-CE1 3.47Å; F179-F416 VanDerWaalsContact CZ-CE1 3.47Å; N180-F416 HydrophobicContact CB-CE1 4.27Å; N180-F416 HydrophobicContact CB-CZ 4.24Å; Q309-F416 VanDerWaalsContact C-CZ 3.45Å; Q309-F416 HydrophobicContact CB-CD1 3.82Å; Q309-F416 HydrophobicContact CB-CE1 3.63Å; Q309-F416 HydrophobicContact CB-CZ 4.29Å; Q309-F416 HydrophobicContact CG-CD1 4.19Å; Q309-F416 HydrophobicContact CG-CE1 4.44Å; Q309-F416 VanDerWaalsContact O-CZ 3.29Å; Q309-F416 WeakPolarHBondContact O-CZ 3.24Å; C311-F416 HydrophobicContact CB-CE2 4.5Å; Q358-F416 PolarHBondContact NE2-O 3.49Å; E414-F416 HydrophobicContact CG-CB 4.28Å; E414-F416 HydrophobicContact CG-CD2 4.16Å
417	G	98.6	Very high	98.7	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-159.7	177.2	178.3	0	0	0	0	0	109.8	Q307 G308 V419	Q307-G417 CarbonylContact O-C 3.39Å; G308-G417 PolarHBondContact O-N 3.3Å; G417-V419 PolarHBondContact O-N 2.64Å
418	P	98.6	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-81.4	66	-168	34.2	-33.5	0	0	0	111.2	F304 Q307 M350 M396 P398 C399	F304-P418 HydrophobicContact CD1-CB 3.87Å; F304-P418 HydrophobicContact CE1-CB 4.31Å; Q307-P418 WeakPolarHBondContact O-CD 3.24Å; M350-P418 HydrophobicContact CE-CG 4.49Å; M350-P418 HydrophobicContact SD-CB 3.89Å; M350-P418 HydrophobicContact SD-CG 4.16Å; M396-P418 HydrophobicContact CE-CG 4.22Å; M396-P418 HydrophobicContact CG-CG 3.83Å; M396-P418 HydrophobicContact SD-CG 3.84Å; P398-P418 HydrophobicContact CB-CB 4.26Å; C399-P418 PolarHBondContact N-O 3.12Å
419	V	98.9	Very high	98.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	108.1	-175.1	-173.3	0	0	0	0	110.6	V366 M396 C399 L401 I415 G417	V366-V419 HydrophobicContact CG2-CG1 4.25Å; V366-V419 HydrophobicContact CG2-CG2 3.74Å; M396-V419 HydrophobicContact CE-CG2 4.31Å; C399-V419 HydrophobicContact CB-CB 4.45Å; C399-V419 HydrophobicContact CB-CG1 4.29Å; C399-V419 HydrophobicContact CB-CG2 4.14Å; L401-V419 HydrophobicContact CD1-CG1 3.62Å; L401-V419 HydrophobicContact CG-CG1 3.96Å; I415-V419 HydrophobicContact CD1-CB 3.98Å; I415-V419 HydrophobicContact CD1-CG1 3.9Å; I415-V419 HydrophobicContact CG2-CB 4.49Å; I415-V419 HydrophobicContact CG2-CG2 4.21Å; G417-V419 PolarHBondContact O-N 2.64Å
420	M	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.4	175.3	-178	-170.7	-68	0	0	110.1	A299 N303 F304 V317 V331 C399 V400 L401 V422	A299-M420 HydrophobicContact CB-CE 3.91Å; A299-M420 VanDerWaalsContact O-CE 3.23Å; A299-M420 WeakPolarHBondContact O-CE 3.26Å; N303-M420 HydrophobicContact CB-CB 4.24Å; N303-M420 HydrophobicContact CB-CE 3.8Å; N303-M420 WeakPolarHBondContact OD1-CA 3.44Å; F304-M420 HydrophobicContact CE2-CE 3.75Å; F304-M420 HydrophobicContact CZ-CB 4.11Å; F304-M420 HydrophobicContact CZ-CE 4.1Å; V317-M420 HydrophobicContact CB-CG 4.38Å; V317-M420 HydrophobicContact CG2-CE 4.46Å; V317-M420 HydrophobicContact CG2-CG 3.6Å; V317-M420 HydrophobicContact CG2-SD 3.93Å; V331-M420 HydrophobicContact CG2-CE 4.09Å; V331-M420 HydrophobicContact CG2-SD 4.13Å; C399-M420 PolarHBondContact O-N 2.83Å; V400-M420 HydrophobicContact CG2-SD 4.49Å; L401-M420 PolarHBondContact N-O 3.41Å; M420-V422 HydrophobicContact CG-CG2 4.07Å; M420-V422 HydrophobicContact SD-CG2 3.92Å
421	S	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.4	170.5	-57.5	0	0	0	0	109.8	T315 V317	T315-S421 PolarHBondContact O-N 3.46Å; V317-S421 PolarHBondContact N-O 2.88Å
422	V	98.9	Very high	98.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.2	-179.1	-164.9	0	0	0	0	110.1	V317 V319 M324 F327 L328 V400 L401 M420	V317-V422 CarbonylContact O-C 3.54Å; V317-V422 WeakPolarHBondContact O-CA 3.48Å; V319-V422 HydrophobicContact CG2-CG1 3.89Å; M324-V422 HydrophobicContact CE-CB 4.13Å; M324-V422 HydrophobicContact CE-CG1 3.43Å; M324-V422 VanDerWaalsContact CE-CG1 3.43Å; M324-V422 HydrophobicContact SD-CG1 3.84Å; F327-V422 HydrophobicContact CD1-CG1 4.41Å; F327-V422 HydrophobicContact CE1-CG1 4.09Å; F327-V422 HydrophobicContact CE1-CG2 4.46Å; L328-V422 HydrophobicContact CD2-CB 4.17Å; L328-V422 HydrophobicContact CD2-CG1 3.99Å; L328-V422 HydrophobicContact CD2-CG2 4.17Å; V400-V422 HydrophobicContact CG1-CG2 3.83Å; L401-V422 PolarHBondContact O-N 3.45Å; M420-V422 HydrophobicContact CG-CG2 4.07Å; M420-V422 HydrophobicContact SD-CG2 3.92Å
423	L	98.8	Very high	98.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143	-179.5	-57.6	95.1	0	0	0	109.5	R316 V317 F318 V319 C404 D406 V411	R316-L423 HydrophobicContact CB-CD1 4.37Å; V317-L423 PolarHBondContact O-N 3.27Å; F318-L423 CarbonylContact C-O 3.46Å; F318-L423 VanDerWaalsContact CA-O 3.3Å; F318-L423 WeakPolarHBondContact CA-O 3.28Å; F318-L423 HydrophobicContact CD1-CB 3.83Å; F318-L423 HydrophobicContact CE1-CB 4Å; F318-L423 HydrophobicContact CE1-CD1 4.32Å; F318-L423 HydrophobicContact CE1-CD2 4.12Å; F318-L423 HydrophobicContact CE1-CG 4.38Å; V319-L423 PolarHBondContact N-O 3.19Å; C404-L423 HydrophobicContact CB-CD1 4.42Å; C404-L423 HydrophobicContact CB-CD2 4.3Å; C404-L423 HydrophobicContact CB-CG 3.94Å; D406-L423 WeakPolarHBondContact OD1-CD2 3.25Å; V411-L423 HydrophobicContact CG1-CD2 4.14Å; V411-L423 HydrophobicContact CG2-CD2 4.35Å
424	S	98.6	Very high	98.7	Very high	36 Å²	36	29.8 Å²	29.8	25%	0.252	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	155.2	171.6	57.3	0	0	0	0	111.3	V319 R321 R434	V319-S424 VanDerWaalsContact O-CA 3.3Å; V319-S424 WeakPolarHBondContact O-CA 3.48Å; R321-S424 PolarHBondContact NH1-OG 3.48Å; S424-R434 PolarHBondContact O-NH1 2.99Å
425	F	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.1	168.1	74.1	-88.8	0	0	0	110.7	I285 I286 F287 F318 V319 Q320 R321 S427 V431	I285-F425 HydrophobicContact CG2-CE1 3.98Å; I285-F425 HydrophobicContact CG2-CZ 3.89Å; I286-F425 WeakPolarHBondContact O-CE1 3.34Å; F287-F425 AromaticContact CD1-CE2 3.88Å; F287-F425 HydrophobicContact CD1-CE2 3.88Å; F287-F425 AromaticContact CD1-CZ 3.74Å; F287-F425 HydrophobicContact CD1-CZ 3.74Å; F287-F425 AromaticContact CE1-CE2 3.65Å; F287-F425 HydrophobicContact CE1-CE2 3.65Å; F287-F425 AromaticContact CE1-CZ 3.82Å; F287-F425 HydrophobicContact CE1-CZ 3.82Å; F287-F425 HydrophobicContact CG-CZ 4.24Å; F287-F425 HydrophobicContact CZ-CE2 4.37Å; F287-F425 HydrophobicContact CZ-CZ 4.33Å; F318-F425 HydrophobicContact CB-CD1 3.85Å; F318-F425 HydrophobicContact CB-CE1 4.24Å; V319-F425 WeakPolarHBondContact O-CD1 3.41Å; V319-F425 PolarHBondContact O-N 3.1Å; V319-F425 VanDerWaalsContact O-N 3.15Å; Q320-F425 WeakPolarHBondContact CA-O 3.43Å; Q320-F425 HydrophobicContact CB-CD1 4.49Å; Q320-F425 HydrophobicContact CB-CE1 3.88Å; Q320-F425 HydrophobicContact CB-CE2 3.95Å; Q320-F425 HydrophobicContact CB-CZ 3.58Å; Q320-F425 HydrophobicContact CG-CD2 4.17Å; Q320-F425 HydrophobicContact CG-CE1 4.47Å; Q320-F425 HydrophobicContact CG-CE2 3.69Å; Q320-F425 HydrophobicContact CG-CZ 3.88Å; R321-F425 PolarHBondContact N-O 2.91Å; F425-S427 WeakPolarHBondContact CD2-O 2.96Å; F425-V431 HydrophobicContact CB-CB 3.88Å; F425-V431 HydrophobicContact CB-CG2 4.1Å; F425-V431 HydrophobicContact CD1-CB 4.15Å; F425-V431 HydrophobicContact CD1-CG2 3.81Å; F425-V431 HydrophobicContact CD2-CB 3.63Å; F425-V431 HydrophobicContact CD2-CG1 3.77Å; F425-V431 HydrophobicContact CD2-CG2 4.22Å; F425-V431 HydrophobicContact CE1-CG2 4.21Å; F425-V431 HydrophobicContact CE2-CB 4.14Å; F425-V431 HydrophobicContact CE2-CG1 3.79Å; F425-V431 HydrophobicContact CG-CB 3.62Å; F425-V431 HydrophobicContact CG-CG1 4.22Å; F425-V431 HydrophobicContact CG-CG2 3.79Å; F425-V431 HydrophobicContact CZ-CG1 4.23Å
426	D	98.6	Very high	98.8	Very high	83 Å²	83	29.1 Å²	29.1	44%	0.444	15%	0.152	S	C	.	.	S	Bend	trans	-111.2	-40.2	-176.6	-66.1	-66.5	0	0	0	112.4	Q320 R321 E430	Q320-D426 PolarHBondContact NE2-O 3.06Å; R321-D426 IonicContact CZ-OD1 2.66Å; R321-D426 IonicContact CZ-OD2 3.75Å; R321-D426 IonicContact NE-OD1 3.34Å; R321-D426 PolarHBondContact NE-OD1 2.77Å; R321-D426 IonicContact NE-OD2 3.22Å; R321-D426 IonicContact NH2-OD1 3.3Å; R321-D426 IonicContact NH2-OD2 3.6Å; R321-D426 PolarHBondContact NH2-OD2 3.22Å; D426-E430 PolarHBondContact N-OE2 2.86Å
427	S	98.8	Very high	98.8	Very high	56 Å²	56	33.6 Å²	33.6	39%	0.392	18%	0.177	S	C	.	.			trans	-127	157.1	-177.3	74	0	0	0	0	114	F425 E430 V431	F425-S427 WeakPolarHBondContact CD2-O 2.96Å; S427-E430 PolarHBondContact N-OE2 3.42Å; S427-E430 WeakPolarHBondContact OG-CB 3.38Å; S427-E430 PolarHBondContact OG-N 2.93Å; S427-V431 PolarHBondContact O-N 3.44Å; S427-V431 VanDerWaalsContact O-N 3.13Å
428	E	98.8	Very high	98.8	Very high	28 Å²	28	35 Å²	35	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-45.7	177.9	-178.5	-179.2	135.4	0	0	112.3	F287 E430 V431 I432 R453 R456 V457	F287-E428 HydrophobicContact CE1-CB 4.07Å; F287-E428 HydrophobicContact CE1-CG 4.31Å; F287-E428 HydrophobicContact CZ-CB 4.21Å; F287-E428 HydrophobicContact CZ-CG 3.97Å; E428-E430 PolarHBondContact O-N 3.13Å; E428-V431 VanDerWaalsContact O-CG1 3.24Å; E428-V431 WeakPolarHBondContact O-CG1 3.2Å; E428-V431 PolarHBondContact O-N 3.46Å; E428-I432 HydrophobicContact CG-CD1 3.8Å; E428-I432 VanDerWaalsContact O-CG1 3.28Å; E428-I432 WeakPolarHBondContact O-CG1 3.48Å; E428-I432 PolarHBondContact O-N 3.32Å; E428-R453 WeakPolarHBondContact OE2-CG 2.99Å; E428-R456 IonicContact OE1-CZ 2.71Å; E428-R456 IonicContact OE1-NE 3.55Å; E428-R456 PolarHBondContact OE1-NE 3.45Å; E428-R456 IonicContact OE1-NH2 3.7Å; E428-R456 PolarHBondContact OE1-NH2 3.27Å; E428-R456 IonicContact OE2-CZ 2.83Å; E428-R456 IonicContact OE2-NE 3.51Å; E428-R456 IonicContact OE2-NH2 2.73Å; E428-R456 PolarHBondContact OE2-NH2 2.96Å; E428-V457 HydrophobicContact CG-CG2 3.95Å
429	D	98.7	Very high	98.7	Very high	97 Å²	97	38.8 Å²	38.8	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-41.7	-178.9	-74.6	-40.7	0	0	0	112.2	I432 Q433 R460	D429-I432 PolarHBondContact O-N 3.24Å; D429-Q433 PolarHBondContact O-N 2.99Å; D429-R460 IonicContact OD1-CZ 2.65Å; D429-R460 VanDerWaalsContact OD1-CZ 3.24Å; D429-R460 IonicContact OD1-NH1 3.88Å; D429-R460 PolarHBondContact OD1-NH1 2.82Å; D429-R460 IonicContact OD1-NH2 2.75Å; D429-R460 PolarHBondContact OD1-NH2 3.48Å
430	E	98.6	Very high	98.7	Very high	52 Å²	52	40 Å²	40	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-50	175.8	-179.7	-137.8	146.3	0	0	111.3	D426 S427 E428 I432 Q433 R434	D426-E430 PolarHBondContact N-OE2 2.86Å; S427-E430 PolarHBondContact N-OE2 3.42Å; S427-E430 WeakPolarHBondContact OG-CB 3.38Å; S427-E430 PolarHBondContact OG-N 2.93Å; E428-E430 PolarHBondContact O-N 3.13Å; E430-I432 VanDerWaalsContact C-N 3.35Å; E430-I432 PolarHBondContact O-N 2.98Å; E430-Q433 PolarHBondContact O-N 3.42Å; E430-R434 VanDerWaalsContact O-CG 3.29Å; E430-R434 WeakPolarHBondContact O-CG 3.34Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 WeakPolarHBondContact OE1-CD 3.37Å; E430-R434 IonicContact OE1-CZ 2.95Å; E430-R434 IonicContact OE1-NE 2.73Å; E430-R434 IonicContact OE1-NH1 3.26Å; E430-R434 PolarHBondContact OE1-NH1 2.99Å
431	V	98.8	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-34.9	-177.2	70	0	0	0	0	112.2	I285 F287 F318 F425 S427 E428 R434 A435	I285-V431 HydrophobicContact CD1-CG1 4.16Å; I285-V431 HydrophobicContact CD1-CG2 3.91Å; I285-V431 HydrophobicContact CG1-CG2 3.87Å; I285-V431 HydrophobicContact CG2-CG1 3.97Å; I285-V431 HydrophobicContact CG2-CG2 4Å; F287-V431 HydrophobicContact CZ-CG1 4.27Å; F318-V431 HydrophobicContact CB-CG2 3.53Å; F318-V431 HydrophobicContact CD1-CG2 3.96Å; F318-V431 HydrophobicContact CD2-CG2 4.33Å; F318-V431 HydrophobicContact CG-CG2 3.7Å; F425-V431 HydrophobicContact CB-CB 3.88Å; F425-V431 HydrophobicContact CB-CG2 4.1Å; F425-V431 HydrophobicContact CD1-CB 4.15Å; F425-V431 HydrophobicContact CD1-CG2 3.81Å; F425-V431 HydrophobicContact CD2-CB 3.63Å; F425-V431 HydrophobicContact CD2-CG1 3.77Å; F425-V431 HydrophobicContact CD2-CG2 4.22Å; F425-V431 HydrophobicContact CE1-CG2 4.21Å; F425-V431 HydrophobicContact CE2-CB 4.14Å; F425-V431 HydrophobicContact CE2-CG1 3.79Å; F425-V431 HydrophobicContact CG-CB 3.62Å; F425-V431 HydrophobicContact CG-CG1 4.22Å; F425-V431 HydrophobicContact CG-CG2 3.79Å; F425-V431 HydrophobicContact CZ-CG1 4.23Å; S427-V431 PolarHBondContact O-N 3.44Å; S427-V431 VanDerWaalsContact O-N 3.13Å; E428-V431 VanDerWaalsContact O-CG1 3.24Å; E428-V431 WeakPolarHBondContact O-CG1 3.2Å; E428-V431 PolarHBondContact O-N 3.46Å; V431-R434 PolarHBondContact O-N 2.6Å; V431-A435 WeakPolarHBondContact O-CB 3.3Å; V431-A435 PolarHBondContact O-N 3.41Å
432	I	98.9	Very high	98.7	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-45.5	174.6	-70.3	167.7	0	0	0	110.4	E428 D429 E430 R434 A435 N436 V457 R460	E428-I432 HydrophobicContact CG-CD1 3.8Å; E428-I432 VanDerWaalsContact O-CG1 3.28Å; E428-I432 WeakPolarHBondContact O-CG1 3.48Å; E428-I432 PolarHBondContact O-N 3.32Å; D429-I432 PolarHBondContact O-N 3.24Å; E430-I432 VanDerWaalsContact C-N 3.35Å; E430-I432 PolarHBondContact O-N 2.98Å; I432-R434 PolarHBondContact O-N 3.26Å; I432-A435 PolarHBondContact O-N 3.49Å; I432-N436 WeakPolarHBondContact O-CB 3.35Å; I432-N436 PolarHBondContact O-N 3.48Å; I432-V457 HydrophobicContact CD1-CG2 4.22Å; I432-R460 HydrophobicContact CD1-CB 4.2Å; I432-R460 HydrophobicContact CG2-CB 3.94Å
433	Q	98.8	Very high	98.7	Very high	146 Å²	146	40.3 Å²	40.3	68%	0.682	22%	0.216	S	C	*	.	H	α-helix	trans	-59.6	-46.2	177.8	-175.6	-180	6.8	0	0	111.4	D429 E430 N436 N437	D429-Q433 PolarHBondContact O-N 2.99Å; E430-Q433 PolarHBondContact O-N 3.42Å; Q433-N436 PolarHBondContact O-N 2.86Å; Q433-N437 WeakPolarHBondContact O-CB 3.37Å; Q433-N437 PolarHBondContact O-N 2.78Å
434	R	98.8	Very high	98.7	Very high	40 Å²	40	40.2 Å²	40.2	15%	0.151	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-37.4	179.5	-64.7	169.4	62.1	-155.2	-5.7	112.3	R316 F318 D406 S424 E430 V431 I432 N436 N437	R316-R434 PolarHBondContact NH1-O 2.99Å; F318-R434 HydrophobicContact CE1-CB 4.17Å; F318-R434 HydrophobicContact CZ-CB 4.38Å; D406-R434 IonicContact OD1-CZ 2.76Å; D406-R434 IonicContact OD1-NE 3.94Å; D406-R434 PolarHBondContact OD1-NE 3.08Å; D406-R434 IonicContact OD1-NH2 3.49Å; D406-R434 PolarHBondContact OD1-NH2 3.47Å; D406-R434 WeakPolarHBondContact OD2-CG 3.25Å; D406-R434 IonicContact OD2-CZ 3.57Å; D406-R434 IonicContact OD2-NE 2.75Å; D406-R434 PolarHBondContact OD2-NE 3.46Å; D406-R434 IonicContact OD2-NH2 2.75Å; S424-R434 PolarHBondContact O-NH1 2.99Å; E430-R434 VanDerWaalsContact O-CG 3.29Å; E430-R434 WeakPolarHBondContact O-CG 3.34Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 WeakPolarHBondContact OE1-CD 3.37Å; E430-R434 IonicContact OE1-CZ 2.95Å; E430-R434 IonicContact OE1-NE 2.73Å; E430-R434 IonicContact OE1-NH1 3.26Å; E430-R434 PolarHBondContact OE1-NH1 2.99Å; V431-R434 PolarHBondContact O-N 2.6Å; I432-R434 PolarHBondContact O-N 3.26Å; R434-N436 VanDerWaalsContact C-N 3.35Å; R434-N436 PolarHBondContact O-N 3.4Å; R434-N437 PolarHBondContact O-N 3.5Å
435	A	98.8	Very high	98.7	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-43.6	174.4	0	0	0	0	0	111.4	P283 I285 R316 V431 I432 L461	P283-A435 HydrophobicContact CB-CB 3.72Å; P283-A435 HydrophobicContact CG-CB 3.79Å; I285-A435 HydrophobicContact CD1-CB 4.1Å; R316-A435 PolarHBondContact NH1-O 3.14Å; R316-A435 PolarHBondContact NH2-O 2.81Å; V431-A435 WeakPolarHBondContact O-CB 3.3Å; V431-A435 PolarHBondContact O-N 3.41Å; I432-A435 PolarHBondContact O-N 3.49Å; A435-L461 HydrophobicContact CB-CD2 3.63Å
436	N	98.9	Very high	98.7	Very high	26 Å²	26	38.5 Å²	38.5	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-80.8	-17.6	-179.8	-70.9	-15.6	0	0	0	114.4	I432 Q433 R434 T438 R460 E462 K484	I432-N436 WeakPolarHBondContact O-CB 3.35Å; I432-N436 PolarHBondContact O-N 3.48Å; Q433-N436 PolarHBondContact O-N 2.86Å; R434-N436 VanDerWaalsContact C-N 3.35Å; R434-N436 PolarHBondContact O-N 3.4Å; N436-T438 PolarHBondContact O-N 3.12Å; N436-R460 PolarHBondContact ND2-O 3.43Å; N436-E462 HydrophobicContact CB-CG 4.5Å; N436-E462 PolarHBondContact OD1-N 2.93Å; N436-K484 PolarHBondContact O-NZ 2.91Å
437	N	98.7	Very high	98.7	Very high	128 Å²	128	34.7 Å²	34.7	68%	0.684	18%	0.183	S	C	*	.			trans	-73.5	65.8	179.3	-171.3	25.3	0	0	0	112.6	Q433 R434	Q433-N437 WeakPolarHBondContact O-CB 3.37Å; Q433-N437 PolarHBondContact O-N 2.78Å; R434-N437 PolarHBondContact O-N 3.5Å
438	T	98.6	Very high	98.7	Very high	32 Å²	32	32 Å²	32	20%	0.196	16%	0.164	C	C	.	.	S	Bend	trans	-155.9	154.1	177.8	179.4	0	0	0	0	109	N436 Y440 K484	N436-T438 PolarHBondContact O-N 3.12Å; T438-Y440 VanDerWaalsContact C-N 3.27Å; T438-Y440 WeakPolarHBondContact CG2-O 3.48Å; T438-Y440 WeakPolarHBondContact OG1-CD2 3.42Å; T438-Y440 PolarHBondContact OG1-N 3.07Å; T438-K484 PolarHBondContact O-NZ 2.8Å
439	T	98.2	Very high	98.7	Very high	78 Å²	78	38.2 Å²	38.2	48%	0.479	19%	0.186	S	C	.	.	S	Bend	trans	-77.9	-14.6	173.8	54.6	0	0	0	0	112.6	K484 M485	T439-K484 WeakPolarHBondContact O-CB 3.39Å; T439-M485 WeakPolarHBondContact O-CB 3.49Å; T439-M485 PolarHBondContact O-N 3.22Å
440	Y	98.8	Very high	98.7	Very high	28 Å²	28	36.7 Å²	36.7	11%	0.11	18%	0.178	C	C	.	.			trans	-83.4	160.9	176.3	-63.5	-75.2	0	0	0	111.8	V257 G279 K281 T438 K484	V257-Y440 HydrophobicContact CG2-CD1 4.31Å; V257-Y440 HydrophobicContact CG2-CE1 3.61Å; G279-Y440 VanDerWaalsContact O-CD1 3.31Å; G279-Y440 WeakPolarHBondContact O-CD1 3.48Å; K281-Y440 HydrophobicContact CB-CD2 3.67Å; K281-Y440 HydrophobicContact CB-CE2 4.33Å; K281-Y440 HydrophobicContact CB-CG 4.23Å; T438-Y440 VanDerWaalsContact C-N 3.27Å; T438-Y440 WeakPolarHBondContact CG2-O 3.48Å; T438-Y440 WeakPolarHBondContact OG1-CD2 3.42Å; T438-Y440 PolarHBondContact OG1-N 3.07Å; Y440-K484 WeakPolarHBondContact O-CD 3.4Å
441	G	98.5	Very high	98.7	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	20%	0.196	C	C	.	.			trans	-163.2	40.4	179.8	0	0	0	0	0	112.8	E462 A463 G464 Y483 S486	G441-E462 WeakPolarHBondContact CA-O 3.39Å; G441-A463 VanDerWaalsContact O-CA 3.3Å; G441-A463 WeakPolarHBondContact O-CA 3.17Å; G441-G464 PolarHBondContact O-N 3.46Å; G441-Y483 WeakPolarHBondContact O-CB 3.48Å; G441-Y483 PolarHBondContact O-N 3.42Å; G441-S486 PolarHBondContact N-OG 3.21Å
442	L	98.6	Very high	98.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-77.3	-66.8	-175.5	-173.1	60.1	0	0	0	112.3	C311 C312 G464 T465 F480 S486	C311-L442 VanDerWaalsContact C-CD2 3.44Å; C311-L442 HydrophobicContact CB-CD2 3.55Å; C311-L442 WeakPolarHBondContact O-CD2 3.42Å; C312-L442 HydrophobicContact CB-CD2 4.3Å; L442-G464 PolarHBondContact O-N 3.08Å; L442-G464 VanDerWaalsContact O-N 3.09Å; L442-T465 PolarHBondContact O-N 3.26Å; L442-F480 HydrophobicContact CD1-CE1 4.07Å; L442-F480 HydrophobicContact CD1-CZ 3.83Å; L442-F480 HydrophobicContact CD2-CZ 4.12Å; L442-F480 HydrophobicContact CG-CZ 4.05Å; L442-S486 PolarHBondContact N-OG 2.69Å
443	A	98.8	Very high	98.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	172.6	-179.1	0	0	0	0	0	111	S282 P283 C312 T465 F467	S282-A443 WeakPolarHBondContact CA-O 3.48Å; S282-A443 WeakPolarHBondContact CB-O 2.84Å; S282-A443 PolarHBondContact OG-N 2.72Å; S282-A443 PolarHBondContact OG-O 2.72Å; P283-A443 WeakPolarHBondContact CD-O 3.39Å; C312-A443 HydrophobicContact CB-CB 3.71Å; A443-T465 CarbonylContact C-O 3.46Å; A443-T465 VanDerWaalsContact CA-O 3.27Å; A443-T465 WeakPolarHBondContact CA-O 3.17Å; A443-F467 HydrophobicContact CB-CE2 4.2Å
444	S	98.9	Very high	98.7	Very high	1 Å²	1	39 Å²	39	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	167.7	174.5	63.3	0	0	0	0	110.1	P283 T465 C466 F467	P283-S444 CarbonylContact O-C 3.49Å; P283-S444 VanDerWaalsContact O-CA 3.26Å; P283-S444 WeakPolarHBondContact O-CA 3.17Å; S444-T465 PolarHBondContact N-O 3.2Å; S444-T465 PolarHBondContact OG-O 3.25Å; S444-C466 CarbonylContact O-C 3.58Å; S444-C466 WeakPolarHBondContact O-CA 3.32Å; S444-C466 WeakPolarHBondContact OG-CA 3.45Å; S444-C466 WeakPolarHBondContact OG-CB 3.31Å; S444-C466 PolarHBondContact OG-SG 3.32Å; S444-C466 VanDerWaalsContact OG-SG 3.36Å; S444-F467 VanDerWaalsContact O-CD2 3.29Å; S444-F467 WeakPolarHBondContact O-CD2 3.48Å; S444-F467 PolarHBondContact O-N 3.4Å
445	G	98.8	Very high	98.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.6	170.9	0	0	0	0	0	113.8	P283 L284 I285 F467	P283-G445 PolarHBondContact O-N 3.11Å; L284-G445 WeakPolarHBondContact CA-O 3.47Å; I285-G445 PolarHBondContact N-O 2.65Å; G445-F467 CarbonylContact C-O 3.59Å; G445-F467 WeakPolarHBondContact CA-O 3.32Å
446	V	98.9	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.1	178.8	60.4	0	0	0	0	111	I285 F287 T448 V457 F467 I468 N469	I285-V446 CarbonylContact O-C 3.56Å; I285-V446 VanDerWaalsContact O-CA 3.28Å; I285-V446 WeakPolarHBondContact O-CA 3.26Å; F287-V446 HydrophobicContact CD2-CG2 3.87Å; F287-V446 HydrophobicContact CE2-CG2 3.7Å; V446-T448 HydrophobicContact CG2-CG2 4.06Å; V446-V457 HydrophobicContact CB-CG1 4.02Å; V446-V457 HydrophobicContact CG1-CG1 4.43Å; V446-V457 HydrophobicContact CG2-CB 4.24Å; V446-V457 HydrophobicContact CG2-CG1 3.9Å; V446-F467 PolarHBondContact N-O 2.89Å; V446-I468 HydrophobicContact CG1-CB 4.42Å; V446-I468 HydrophobicContact CG1-CG1 3.8Å; V446-N469 PolarHBondContact O-N 3.08Å
447	F	98.9	Very high	98.7	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.5	171.6	-79.9	-99.9	0	0	0	110	L284 I285 I286 F287 C290 N294 A295 N469	L284-F447 HydrophobicContact CD1-CD2 3.68Å; L284-F447 HydrophobicContact CD1-CE2 3.78Å; I285-F447 PolarHBondContact O-N 3.17Å; I286-F447 HydrophobicContact CG1-CB 4.39Å; I286-F447 HydrophobicContact CG2-CB 4.4Å; F287-F447 PolarHBondContact N-O 3.2Å; C290-F447 HydrophobicContact CB-CB 3.97Å; N294-F447 HydrophobicContact CB-CE1 4.26Å; N294-F447 WeakPolarHBondContact O-CE1 3.12Å; A295-F447 HydrophobicContact CB-CB 4.13Å; A295-F447 HydrophobicContact CB-CD1 3.91Å; A295-F447 HydrophobicContact CB-CG 4.02Å; F447-N469 WeakPolarHBondContact CA-OD1 3.44Å; F447-N469 HydrophobicContact CD1-CB 4.46Å; F447-N469 VanDerWaalsContact CE1-C 3.48Å
448	T	98.9	Very high	98.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.			trans	-165.5	151.5	179.9	-177.8	0	0	0	0	109.2	D289 V446 D450 R453 A454 N469	D289-T448 WeakPolarHBondContact OD1-CB 3.3Å; D289-T448 PolarHBondContact OD1-OG1 2.99Å; D289-T448 PolarHBondContact OD2-OG1 3.21Å; V446-T448 HydrophobicContact CG2-CG2 4.06Å; T448-D450 PolarHBondContact OG1-N 2.97Å; T448-R453 HydrophobicContact CG2-CB 4.34Å; T448-R453 HydrophobicContact CG2-CG 4.31Å; T448-R453 WeakPolarHBondContact OG1-CD 3.19Å; T448-A454 HydrophobicContact CG2-CB 3.69Å; T448-N469 PolarHBondContact N-OD1 3.34Å; T448-N469 PolarHBondContact O-ND2 3.45Å; T448-N469 PolarHBondContact O-OD1 2.86Å; T448-N469 VanDerWaalsContact O-OD1 3.11Å
449	R	98.6	Very high	98.7	Very high	158 Å²	158	47.1 Å²	47.1	60%	0.596	23%	0.23	S	C	*	.	S	Bend	trans	-91.1	-22.3	175.2	-71.1	-70.2	-176.4	178.8	0.9	111.6	D289 D291 I451	D289-R449 WeakPolarHBondContact O-CB 3.41Å; D289-R449 WeakPolarHBondContact O-CG 3.2Å; D289-R449 PolarHBondContact OD2-N 3.18Å; D291-R449 VanDerWaalsContact CB-NH2 3.27Å; D291-R449 IonicContact OD2-CZ 3.9Å; D291-R449 IonicContact OD2-NH2 3.02Å; D291-R449 PolarHBondContact OD2-NH2 3.38Å; R449-I451 PolarHBondContact O-N 3.27Å
450	D	98.8	Very high	98.8	Very high	65 Å²	65	48 Å²	48	35%	0.348	23%	0.225	S	C	.	.			trans	-70.6	109.3	173.1	-174	-51.9	0	0	0	111.2	D289 T448 S452 R453 A454	D289-D450 PolarHBondContact OD2-N 3.31Å; T448-D450 PolarHBondContact OG1-N 2.97Å; D450-S452 VanDerWaalsContact C-N 3.35Å; D450-S452 PolarHBondContact O-N 3.28Å; D450-S452 WeakPolarHBondContact OD1-CA 3.3Å; D450-S452 WeakPolarHBondContact OD1-CB 3.45Å; D450-S452 PolarHBondContact OD1-N 3.14Å; D450-R453 HydrophobicContact CB-CB 3.83Å; D450-R453 PolarHBondContact O-N 3.43Å; D450-R453 WeakPolarHBondContact OD1-CB 3.21Å; D450-R453 PolarHBondContact OD1-N 3.08Å; D450-A454 PolarHBondContact O-N 3.23Å
451	I	98.4	Very high	98.8	Very high	118 Å²	118	47.2 Å²	47.2	61%	0.605	22%	0.222	S	C	*	.	H	α-helix	trans	-64.5	-36.7	-178.5	-171.6	166.1	0	0	0	112.7	R449 A454 H455	R449-I451 PolarHBondContact O-N 3.27Å; I451-A454 PolarHBondContact O-N 3.09Å; I451-H455 PolarHBondContact O-CD2 3.01Å; I451-H455 VanDerWaalsContact O-CD2 3.24Å; I451-H455 PolarHBondContact O-N 3.28Å; I451-H455 VanDerWaalsContact O-N 3.11Å
452	S	98.8	Very high	98.8	Very high	76 Å²	76	51.4 Å²	51.4	53%	0.531	24%	0.241	S	C	.	.	H	α-helix	trans	-67.5	-39.8	178.9	-62.8	0	0	0	0	111	D450 R456	D450-S452 VanDerWaalsContact C-N 3.35Å; D450-S452 PolarHBondContact O-N 3.28Å; D450-S452 WeakPolarHBondContact OD1-CA 3.3Å; D450-S452 WeakPolarHBondContact OD1-CB 3.45Å; D450-S452 PolarHBondContact OD1-N 3.14Å; S452-R456 WeakPolarHBondContact O-CB 3.45Å; S452-R456 PolarHBondContact O-N 3.2Å; S452-R456 PolarHBondContact O-NH1 2.9Å
453	R	98.8	Very high	98.8	Very high	55 Å²	55	52 Å²	52	21%	0.208	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-47.6	171.5	-175.5	-176.9	-43.7	-138.8	-2	111.2	F287 E428 T448 D450 H455 R456 V457	F287-R453 HydrophobicContact CE2-CG 4.21Å; F287-R453 HydrophobicContact CZ-CG 4.32Å; E428-R453 WeakPolarHBondContact OE2-CG 2.99Å; T448-R453 HydrophobicContact CG2-CB 4.34Å; T448-R453 HydrophobicContact CG2-CG 4.31Å; T448-R453 WeakPolarHBondContact OG1-CD 3.19Å; D450-R453 HydrophobicContact CB-CB 3.83Å; D450-R453 PolarHBondContact O-N 3.43Å; D450-R453 WeakPolarHBondContact OD1-CB 3.21Å; D450-R453 PolarHBondContact OD1-N 3.08Å; R453-H455 VanDerWaalsContact C-N 3.33Å; R453-H455 PolarHBondContact O-N 3.04Å; R453-R456 PolarHBondContact O-N 2.72Å; R453-V457 HydrophobicContact CG-CG2 3.95Å; R453-V457 WeakPolarHBondContact O-CB 3.33Å; R453-V457 VanDerWaalsContact O-CG2 3.22Å; R453-V457 WeakPolarHBondContact O-CG2 3.39Å; R453-V457 PolarHBondContact O-N 3.02Å
454	A	98.8	Very high	98.8	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-54.1	-50.6	-179	0	0	0	0	0	111.6	T448 D450 I451 A458 I468	T448-A454 HydrophobicContact CG2-CB 3.69Å; D450-A454 PolarHBondContact O-N 3.23Å; I451-A454 PolarHBondContact O-N 3.09Å; A454-A458 VanDerWaalsContact O-CB 3.29Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.48Å; A454-I468 HydrophobicContact CB-CD1 4.17Å; A454-I468 HydrophobicContact CB-CG1 4.5Å; A454-I468 HydrophobicContact CB-CG2 3.77Å
455	H	98.8	Very high	98.7	Very high	113 Å²	113	53.6 Å²	53.6	52%	0.523	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-40.5	179.3	-72.9	-68.7	0	0	0	113.1	I451 R453 V457 A458 E459	I451-H455 PolarHBondContact O-CD2 3.01Å; I451-H455 VanDerWaalsContact O-CD2 3.24Å; I451-H455 PolarHBondContact O-N 3.28Å; I451-H455 VanDerWaalsContact O-N 3.11Å; R453-H455 VanDerWaalsContact C-N 3.33Å; R453-H455 PolarHBondContact O-N 3.04Å; H455-V457 PolarHBondContact O-N 3.3Å; H455-A458 PolarHBondContact O-N 3.05Å; H455-E459 WeakPolarHBondContact O-CB 3.48Å; H455-E459 PolarHBondContact O-N 3.19Å
456	R	98.8	Very high	98.7	Very high	96 Å²	96	55.7 Å²	55.7	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-39.5	178	-178	175.2	62.2	-104.6	-0.9	112.5	E428 S452 R453 R460	E428-R456 IonicContact OE1-CZ 2.71Å; E428-R456 IonicContact OE1-NE 3.55Å; E428-R456 PolarHBondContact OE1-NE 3.45Å; E428-R456 IonicContact OE1-NH2 3.7Å; E428-R456 PolarHBondContact OE1-NH2 3.27Å; E428-R456 IonicContact OE2-CZ 2.83Å; E428-R456 IonicContact OE2-NE 3.51Å; E428-R456 IonicContact OE2-NH2 2.73Å; E428-R456 PolarHBondContact OE2-NH2 2.96Å; S452-R456 WeakPolarHBondContact O-CB 3.45Å; S452-R456 PolarHBondContact O-N 3.2Å; S452-R456 PolarHBondContact O-NH1 2.9Å; R453-R456 PolarHBondContact O-N 2.72Å; R456-R460 VanDerWaalsContact O-CG 3.27Å; R456-R460 WeakPolarHBondContact O-CG 3.28Å; R456-R460 PolarHBondContact O-N 3.28Å
457	V	98.9	Very high	98.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-47.7	174.3	172.6	0	0	0	0	109.6	I285 F287 E428 I432 V446 R453 H455 E459 R460 L461	I285-V457 HydrophobicContact CD1-CG1 4.19Å; F287-V457 HydrophobicContact CE2-CG2 3.92Å; F287-V457 HydrophobicContact CZ-CG2 3.97Å; E428-V457 HydrophobicContact CG-CG2 3.95Å; I432-V457 HydrophobicContact CD1-CG2 4.22Å; V446-V457 HydrophobicContact CB-CG1 4.02Å; V446-V457 HydrophobicContact CG1-CG1 4.43Å; V446-V457 HydrophobicContact CG2-CB 4.24Å; V446-V457 HydrophobicContact CG2-CG1 3.9Å; R453-V457 HydrophobicContact CG-CG2 3.95Å; R453-V457 WeakPolarHBondContact O-CB 3.33Å; R453-V457 VanDerWaalsContact O-CG2 3.22Å; R453-V457 WeakPolarHBondContact O-CG2 3.39Å; R453-V457 PolarHBondContact O-N 3.02Å; H455-V457 PolarHBondContact O-N 3.3Å; V457-E459 VanDerWaalsContact C-N 3.32Å; V457-E459 PolarHBondContact O-N 3.32Å; V457-R460 PolarHBondContact O-N 3.45Å; V457-R460 VanDerWaalsContact O-N 3.12Å; V457-L461 HydrophobicContact CG1-CD1 3.75Å; V457-L461 HydrophobicContact CG1-CG 4.19Å; V457-L461 VanDerWaalsContact O-CG 3.31Å; V457-L461 WeakPolarHBondContact O-CG 3.24Å; V457-L461 PolarHBondContact O-N 3.15Å; V457-L461 VanDerWaalsContact O-N 3.1Å
458	A	98.8	Very high	98.7	Very high	23 Å²	23	59.4 Å²	59.4	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-41.2	179.5	0	0	0	0	0	112.9	A454 H455 R460 L461 C466 I468	A454-A458 VanDerWaalsContact O-CB 3.29Å; A454-A458 WeakPolarHBondContact O-CB 3.41Å; A454-A458 PolarHBondContact O-N 3.48Å; H455-A458 PolarHBondContact O-N 3.05Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.49Å; A458-L461 PolarHBondContact O-N 2.97Å; A458-C466 HydrophobicContact CB-CB 4.2Å; A458-I468 HydrophobicContact CB-CD1 4.1Å; A458-I468 HydrophobicContact CB-CG1 4.4Å
459	E	98.6	Very high	98.7	Very high	166 Å²	166	62.5 Å²	62.5	78%	0.776	31%	0.31	S	S	*	.	H	α-helix	trans	-62.2	-36.1	176.1	-178.4	-177.1	-177.6	0	0	112.6	H455 V457	H455-E459 WeakPolarHBondContact O-CB 3.48Å; H455-E459 PolarHBondContact O-N 3.19Å; V457-E459 VanDerWaalsContact C-N 3.32Å; V457-E459 PolarHBondContact O-N 3.32Å
460	R	98.8	Very high	98.6	Very high	96 Å²	96	58.6 Å²	58.6	36%	0.362	30%	0.301	S	S	.	.	H	α-helix	trans	-88.9	-10.8	-175.3	-68.3	174.9	67	-170.9	3.9	113.9	D429 I432 N436 R456 V457 A458	D429-R460 IonicContact OD1-CZ 2.65Å; D429-R460 VanDerWaalsContact OD1-CZ 3.24Å; D429-R460 IonicContact OD1-NH1 3.88Å; D429-R460 PolarHBondContact OD1-NH1 2.82Å; D429-R460 IonicContact OD1-NH2 2.75Å; D429-R460 PolarHBondContact OD1-NH2 3.48Å; I432-R460 HydrophobicContact CD1-CB 4.2Å; I432-R460 HydrophobicContact CG2-CB 3.94Å; N436-R460 PolarHBondContact ND2-O 3.43Å; R456-R460 VanDerWaalsContact O-CG 3.27Å; R456-R460 WeakPolarHBondContact O-CG 3.28Å; R456-R460 PolarHBondContact O-N 3.28Å; V457-R460 PolarHBondContact O-N 3.45Å; V457-R460 VanDerWaalsContact O-N 3.12Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.49Å
461	L	98.8	Very high	98.6	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.058	29%	0.285	C	S	.	.	S	Bend	trans	-81.2	126.3	178.2	-74.3	170.9	0	0	0	110.8	P283 I285 A435 V457 A458 A463	P283-L461 HydrophobicContact CG-CD2 4.42Å; I285-L461 HydrophobicContact CD1-CD1 4.3Å; I285-L461 HydrophobicContact CD1-CD2 4.05Å; A435-L461 HydrophobicContact CB-CD2 3.63Å; V457-L461 HydrophobicContact CG1-CD1 3.75Å; V457-L461 HydrophobicContact CG1-CG 4.19Å; V457-L461 VanDerWaalsContact O-CG 3.31Å; V457-L461 WeakPolarHBondContact O-CG 3.24Å; V457-L461 PolarHBondContact O-N 3.15Å; V457-L461 VanDerWaalsContact O-N 3.1Å; A458-L461 PolarHBondContact O-N 2.97Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 2.87Å
462	E	98.8	Very high	98.3	Very high	92 Å²	92	51.3 Å²	51.3	43%	0.43	26%	0.263	S	S	.	.			trans	-88.8	67.5	-175	-66.4	171.1	-167.5	0	0	111.5	N436 G441 K484	N436-E462 HydrophobicContact CB-CG 4.5Å; N436-E462 PolarHBondContact OD1-N 2.93Å; G441-E462 WeakPolarHBondContact CA-O 3.39Å; E462-K484 WeakPolarHBondContact OE2-CE 3.45Å; E462-K484 IonicContact OE2-NZ 3.51Å; E462-K484 PolarHBondContact OE2-NZ 3.47Å
463	A	98.8	Very high	97.9	Very high	15 Å²	15	51.7 Å²	51.7	12%	0.124	26%	0.259	C	S	.	.	S	Bend	trans	-139.3	158	177.9	0	0	0	0	0	112	G441 L461 T465	G441-A463 VanDerWaalsContact O-CA 3.3Å; G441-A463 WeakPolarHBondContact O-CA 3.17Å; L461-A463 VanDerWaalsContact C-N 3.33Å; L461-A463 PolarHBondContact O-N 2.87Å; A463-T465 VanDerWaalsContact C-N 3.32Å; A463-T465 PolarHBondContact O-N 3.27Å
464	G	98.3	Very high	97.5	Very high	25 Å²	25	51.2 Å²	51.2	26%	0.258	26%	0.264	S	S	.	.	S	Bend	trans	-69.9	-26.7	179.2	0	0	0	0	0	114.9	G441 L442 G481	G441-G464 PolarHBondContact O-N 3.46Å; L442-G464 PolarHBondContact O-N 3.08Å; L442-G464 VanDerWaalsContact O-N 3.09Å; G464-G481 WeakPolarHBondContact CA-O 3.24Å
465	T	98.6	Very high	97.2	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.6	177.1	-55.4	0	0	0	0	110.5	L442 A443 S444 A463 F467 M478	L442-T465 PolarHBondContact O-N 3.26Å; A443-T465 CarbonylContact C-O 3.46Å; A443-T465 VanDerWaalsContact CA-O 3.27Å; A443-T465 WeakPolarHBondContact CA-O 3.17Å; S444-T465 PolarHBondContact N-O 3.2Å; S444-T465 PolarHBondContact OG-O 3.25Å; A463-T465 VanDerWaalsContact C-N 3.32Å; A463-T465 PolarHBondContact O-N 3.27Å; T465-F467 HydrophobicContact CG2-CD1 4.28Å; T465-F467 HydrophobicContact CG2-CE1 3.73Å; T465-F467 HydrophobicContact CG2-CE2 4.02Å; T465-F467 HydrophobicContact CG2-CZ 3.59Å; T465-M478 HydrophobicContact CG2-CE 4.03Å
466	C	98.7	Very high	97.1	Very high	44 Å²	44	48.9 Å²	48.9	30%	0.297	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.6	170.2	-169	0	0	0	0	110.5	S444 A458	S444-C466 CarbonylContact O-C 3.58Å; S444-C466 WeakPolarHBondContact O-CA 3.32Å; S444-C466 WeakPolarHBondContact OG-CA 3.45Å; S444-C466 WeakPolarHBondContact OG-CB 3.31Å; S444-C466 PolarHBondContact OG-SG 3.32Å; S444-C466 VanDerWaalsContact OG-SG 3.36Å; A458-C466 HydrophobicContact CB-CB 4.2Å
467	F	98.7	Very high	97.1	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.3	176	-55.1	-72.2	0	0	0	110.9	A443 S444 G445 V446 T465 N470 Y471 N473	A443-F467 HydrophobicContact CB-CE2 4.2Å; S444-F467 VanDerWaalsContact O-CD2 3.29Å; S444-F467 WeakPolarHBondContact O-CD2 3.48Å; S444-F467 PolarHBondContact O-N 3.4Å; G445-F467 CarbonylContact C-O 3.59Å; G445-F467 WeakPolarHBondContact CA-O 3.32Å; V446-F467 PolarHBondContact N-O 2.89Å; T465-F467 HydrophobicContact CG2-CD1 4.28Å; T465-F467 HydrophobicContact CG2-CE1 3.73Å; T465-F467 HydrophobicContact CG2-CE2 4.02Å; T465-F467 HydrophobicContact CG2-CZ 3.59Å; F467-N470 WeakPolarHBondContact CB-O 3.41Å; F467-Y471 HydrophobicContact CB-CD2 4.36Å; F467-Y471 HydrophobicContact CD2-CD1 4.12Å; F467-Y471 AromaticContact CD2-CD2 3.9Å; F467-Y471 HydrophobicContact CD2-CD2 3.9Å; F467-Y471 HydrophobicContact CD2-CE1 4.14Å; F467-Y471 AromaticContact CD2-CE2 3.95Å; F467-Y471 HydrophobicContact CD2-CE2 3.95Å; F467-Y471 AromaticContact CD2-CG 3.99Å; F467-Y471 HydrophobicContact CD2-CG 3.99Å; F467-Y471 HydrophobicContact CE2-CD1 4.24Å; F467-Y471 HydrophobicContact CE2-CE1 4.1Å; F467-Y471 HydrophobicContact CG-CD2 4.5Å; F467-N473 VanDerWaalsContact CE1-O 3.22Å; F467-N473 WeakPolarHBondContact CE1-O 3.43Å
468	I	98.8	Very high	97	Very high	63 Å²	63	53.3 Å²	53.3	32%	0.323	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.3	172.9	-62.9	173.5	0	0	0	108.7	V446 A454 A458 N470	V446-I468 HydrophobicContact CG1-CB 4.42Å; V446-I468 HydrophobicContact CG1-CG1 3.8Å; A454-I468 HydrophobicContact CB-CD1 4.17Å; A454-I468 HydrophobicContact CB-CG1 4.5Å; A454-I468 HydrophobicContact CB-CG2 3.77Å; A458-I468 HydrophobicContact CB-CD1 4.1Å; A458-I468 HydrophobicContact CB-CG1 4.4Å; I468-N470 PolarHBondContact O-N 3.33Å; I468-N470 VanDerWaalsContact O-N 3.1Å
469	N	98.4	Very high	97	Very high	65 Å²	65	54.9 Å²	54.9	35%	0.348	29%	0.293	S	S	.	.	S	Bend	trans	54.7	26.4	177.2	-65.8	-44.3	0	0	0	114.8	V446 F447 T448	V446-N469 PolarHBondContact O-N 3.08Å; F447-N469 WeakPolarHBondContact CA-OD1 3.44Å; F447-N469 HydrophobicContact CD1-CB 4.46Å; F447-N469 VanDerWaalsContact CE1-C 3.48Å; T448-N469 PolarHBondContact N-OD1 3.34Å; T448-N469 PolarHBondContact O-ND2 3.45Å; T448-N469 PolarHBondContact O-OD1 2.86Å; T448-N469 VanDerWaalsContact O-OD1 3.11Å
470	N	97.3	Very high	97	Very high	75 Å²	75	48.4 Å²	48.4	40%	0.401	26%	0.262	S	S	.	.			trans	-156	178.3	173.6	-149.5	-33.2	0	0	0	109.4	F467 I468 N473	F467-N470 WeakPolarHBondContact CB-O 3.41Å; I468-N470 PolarHBondContact O-N 3.33Å; I468-N470 VanDerWaalsContact O-N 3.1Å; N470-N473 VanDerWaalsContact CG-ND2 3.3Å; N470-N473 PolarHBondContact ND2-ND2 3.26Å
471	Y	98.1	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	25%	0.245	C	C	.	.			trans	-158.5	149.7	170.9	-144.2	-81.4	0	0	0	111.6	S282 L284 A302 C312 G314 F467 N473	S282-Y471 VanDerWaalsContact CB-OH 3.31Å; S282-Y471 WeakPolarHBondContact CB-OH 3.27Å; L284-Y471 HydrophobicContact CB-CE2 4.23Å; L284-Y471 HydrophobicContact CD1-CD2 3.82Å; L284-Y471 HydrophobicContact CD1-CE2 4.01Å; A302-Y471 HydrophobicContact CB-CD1 3.31Å; A302-Y471 HydrophobicContact CB-CD2 4.03Å; A302-Y471 HydrophobicContact CB-CE1 3.66Å; A302-Y471 HydrophobicContact CB-CE2 4.29Å; A302-Y471 HydrophobicContact CB-CG 3.53Å; C312-Y471 WeakPolarHBondContact O-CE1 3.4Å; C312-Y471 PolarHBondContact O-OH 3.41Å; G314-Y471 WeakPolarHBondContact CA-OH 3.5Å; G314-Y471 PolarHBondContact N-OH 3.29Å; F467-Y471 HydrophobicContact CB-CD2 4.36Å; F467-Y471 HydrophobicContact CD2-CD1 4.12Å; F467-Y471 AromaticContact CD2-CD2 3.9Å; F467-Y471 HydrophobicContact CD2-CD2 3.9Å; F467-Y471 HydrophobicContact CD2-CE1 4.14Å; F467-Y471 AromaticContact CD2-CE2 3.95Å; F467-Y471 HydrophobicContact CD2-CE2 3.95Å; F467-Y471 AromaticContact CD2-CG 3.99Å; F467-Y471 HydrophobicContact CD2-CG 3.99Å; F467-Y471 HydrophobicContact CE2-CD1 4.24Å; F467-Y471 HydrophobicContact CE2-CE1 4.1Å; F467-Y471 HydrophobicContact CG-CD2 4.5Å; Y471-N473 VanDerWaalsContact C-N 3.29Å; Y471-N473 PolarHBondContact O-N 3.03Å
472	N	92.4	Very high	96.9	Very high	28 Å²	28	43.5 Å²	43.5	15%	0.15	24%	0.243	C	C	.	.			trans	65.8	16.1	175.2	-79	-11.1	0	0	0	116.7	M301 L305 C312 N313	M301-N472 PolarHBondContact O-ND2 2.92Å; L305-N472 HydrophobicContact CD1-CB 4.06Å; C312-N472 PolarHBondContact SG-OD1 3.38Å; N313-N472 PolarHBondContact OD1-ND2 3.17Å; N313-N472 VanDerWaalsContact OD1-ND2 3.13Å
473	N	89.7	Confident	96.9	Very high	84 Å²	84	44.9 Å²	44.9	45%	0.449	25%	0.245	S	C	.	.			trans	-73.5	131	165.4	-65.1	-17	0	0	0	110	F467 N470 Y471	F467-N473 VanDerWaalsContact CE1-O 3.22Å; F467-N473 WeakPolarHBondContact CE1-O 3.43Å; N470-N473 VanDerWaalsContact CG-ND2 3.3Å; N470-N473 PolarHBondContact ND2-ND2 3.26Å; Y471-N473 VanDerWaalsContact C-N 3.29Å; Y471-N473 PolarHBondContact O-N 3.03Å
474	S	90.1	Very high	96.9	Very high	46 Å²	46	48.2 Å²	48.2	32%	0.322	26%	0.257	S	S	.	.			trans	-132.1	64.3	179.4	-176.2	0	0	0	0	111.9
475	P	93.7	Very high	96.9	Very high	59 Å²	59	51 Å²	51	38%	0.383	27%	0.265	S	S	.	.			trans	-61.9	143.3	177	27.8	-34.2	0	0	0	111.1	E477 M478	P475-E477 WeakPolarHBondContact CB-OE2 3.49Å; P475-E477 PolarHBondContact O-N 2.89Å; P475-M478 HydrophobicContact CG-CB 3.99Å; P475-M478 PolarHBondContact O-N 2.97Å
476	V	97.3	Very high	96.9	Very high	9 Å²	9	50.6 Å²	50.6	6%	0.055	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.8	-176.6	65.3	0	0	0	0	112.4	T139 F142 M478 G493	T139-V476 HydrophobicContact CG2-CG2 4.2Å; F142-V476 HydrophobicContact CB-CB 4.47Å; F142-V476 HydrophobicContact CB-CG1 3.92Å; F142-V476 HydrophobicContact CB-CG2 3.67Å; F142-V476 HydrophobicContact CD1-CG2 3.69Å; F142-V476 HydrophobicContact CD2-CG1 3.91Å; F142-V476 HydrophobicContact CD2-CG2 4.38Å; F142-V476 HydrophobicContact CE1-CG2 4.43Å; F142-V476 HydrophobicContact CG-CB 4.44Å; F142-V476 HydrophobicContact CG-CG1 3.93Å; F142-V476 HydrophobicContact CG-CG2 3.66Å; V476-M478 PolarHBondContact O-N 3.28Å; V476-G493 WeakPolarHBondContact O-CA 3.22Å; V476-G493 PolarHBondContact O-N 3.35Å
477	E	97.7	Very high	96.9	Very high	129 Å²	129	48.8 Å²	48.8	60%	0.603	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.9	-179.3	-58.5	87.8	161.7	0	0	112.2	F142 P475 G493	F142-E477 HydrophobicContact CD2-CG 4.47Å; F142-E477 HydrophobicContact CE2-CB 4.47Å; F142-E477 HydrophobicContact CE2-CG 4.05Å; P475-E477 WeakPolarHBondContact CB-OE2 3.49Å; P475-E477 PolarHBondContact O-N 2.89Å; E477-G493 WeakPolarHBondContact O-CA 3.38Å
478	M	96.9	Very high	96.9	Very high	60 Å²	60	51.8 Å²	51.8	30%	0.296	26%	0.264	S	S	.	.	S	Bend	trans	-93.6	130.8	-177	-174.7	-176.2	71.5	0	0	110.8	T465 P475 V476 N492	T465-M478 HydrophobicContact CG2-CE 4.03Å; P475-M478 HydrophobicContact CG-CB 3.99Å; P475-M478 PolarHBondContact O-N 2.97Å; V476-M478 PolarHBondContact O-N 3.28Å; M478-N492 WeakPolarHBondContact O-CB 3.47Å
479	P	98.1	Very high	96.9	Very high	56 Å²	56	49 Å²	49	36%	0.364	25%	0.251	S	S	.	.			trans	-66.3	141.2	170.6	29.5	-34.4	0	0	0	111	R490 E491 V495	P479-R490 HydrophobicContact CB-CB 4.19Å; P479-R490 HydrophobicContact CB-CG 4.23Å; P479-E491 WeakPolarHBondContact CA-O 3.29Å; P479-V495 HydrophobicContact CB-CG1 3.58Å; P479-V495 HydrophobicContact CG-CG1 4.32Å
480	F	98.5	Very high	96.9	Very high	30 Å²	30	48.1 Å²	48.1	13%	0.132	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-125.3	135.2	176.9	178.4	-91.4	0	0	0	109.4	E277 C312 L442 R490 E491	E277-F480 WeakPolarHBondContact OE2-CE1 3.38Å; C312-F480 HydrophobicContact CB-CE2 4.14Å; C312-F480 HydrophobicContact CB-CZ 4.21Å; L442-F480 HydrophobicContact CD1-CE1 4.07Å; L442-F480 HydrophobicContact CD1-CZ 3.83Å; L442-F480 HydrophobicContact CD2-CZ 4.12Å; L442-F480 HydrophobicContact CG-CZ 4.05Å; F480-R490 CarbonylContact O-C 3.5Å; F480-R490 WeakPolarHBondContact O-CA 3.27Å; F480-E491 PolarHBondContact N-O 2.85Å; F480-E491 PolarHBondContact O-N 3.31Å
481	G	98.1	Very high	96.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	23%	0.225	C	C	.	.			trans	162.7	163.6	171.2	0	0	0	0	0	113.6	E277 G464	E277-G481 WeakPolarHBondContact OE1-CA 3.34Å; E277-G481 WeakPolarHBondContact OE2-CA 3.48Å; G464-G481 WeakPolarHBondContact CA-O 3.24Å
482	G	98.1	Very high	96.9	Very high	2 Å²	2	45 Å²	45	2%	0.021	23%	0.226	C	C	.	.			trans	-77.5	162.5	-167.4	0	0	0	0	0	116.8	G487 R490	G482-G487 CarbonylContact C-O 3.59Å; G482-R490 PolarHBondContact O-NH1 2.97Å; G482-R490 PolarHBondContact O-NH2 2.94Å
483	Y	98.4	Very high	97.2	Very high	121 Å²	121	43.7 Å²	43.7	48%	0.475	22%	0.219	S	C	.	.	S	Bend	trans	-102.6	168.8	155	-82	30.5	0	0	0	109.2	G441 M485 S486 R490	G441-Y483 WeakPolarHBondContact O-CB 3.48Å; G441-Y483 PolarHBondContact O-N 3.42Å; Y483-M485 PolarHBondContact O-N 3.07Å; Y483-S486 WeakPolarHBondContact O-CB 3.27Å; Y483-S486 PolarHBondContact O-N 2.97Å; Y483-R490 VanDerWaalsContact CE1-NH2 3.3Å
484	K	98.6	Very high	97.6	Very high	86 Å²	86	46.7 Å²	46.7	37%	0.374	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	52.9	-132.6	172.8	-57.6	172.3	173.3	174.2	0	112	N436 T438 T439 Y440 E462 S486	N436-K484 PolarHBondContact O-NZ 2.91Å; T438-K484 PolarHBondContact O-NZ 2.8Å; T439-K484 WeakPolarHBondContact O-CB 3.39Å; Y440-K484 WeakPolarHBondContact O-CD 3.4Å; E462-K484 WeakPolarHBondContact OE2-CE 3.45Å; E462-K484 IonicContact OE2-NZ 3.51Å; E462-K484 PolarHBondContact OE2-NZ 3.47Å; K484-S486 VanDerWaalsContact C-N 3.26Å; K484-S486 PolarHBondContact O-N 3.04Å
485	M	98.6	Very high	98	Very high	83 Å²	83	46.6 Å²	46.6	41%	0.409	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-80.7	-1.3	178.5	-61	-160.2	-179.7	0	0	113.8	V257 L278 T439 Y483 G487	V257-M485 HydrophobicContact CG1-CB 4.3Å; V257-M485 VanDerWaalsContact CG2-O 3.3Å; V257-M485 WeakPolarHBondContact CG2-O 3.37Å; L278-M485 WeakPolarHBondContact CD1-O 3.16Å; T439-M485 WeakPolarHBondContact O-CB 3.49Å; T439-M485 PolarHBondContact O-N 3.22Å; Y483-M485 PolarHBondContact O-N 3.07Å; M485-G487 PolarHBondContact O-N 2.7Å
486	S	98.8	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-76.7	0.2	171.6	-68.8	0	0	0	0	113.1	L278 G279 G441 L442 Y483 K484	L278-S486 WeakPolarHBondContact CB-O 3.43Å; L278-S486 PolarHBondContact N-O 3.23Å; G279-S486 WeakPolarHBondContact O-CB 3.32Å; G279-S486 PolarHBondContact O-OG 3.1Å; G441-S486 PolarHBondContact N-OG 3.21Å; L442-S486 PolarHBondContact N-OG 2.69Å; Y483-S486 WeakPolarHBondContact O-CB 3.27Å; Y483-S486 PolarHBondContact O-N 2.97Å; K484-S486 VanDerWaalsContact C-N 3.26Å; K484-S486 PolarHBondContact O-N 3.04Å
487	G	98.6	Very high	98.3	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-169.1	169.4	0	0	0	0	0	113.6	L276 G482 M485	L276-G487 CarbonylContact O-C 3.52Å; L276-G487 WeakPolarHBondContact O-CA 3.44Å; G482-G487 CarbonylContact C-O 3.59Å; M485-G487 PolarHBondContact O-N 2.7Å
488	F	98.8	Very high	98.3	Very high	82 Å²	82	42.9 Å²	42.9	36%	0.36	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.8	-176.4	60.3	-97.4	0	0	0	111	M264 V274 L276	M264-F488 HydrophobicContact CE-CE1 4.11Å; M264-F488 HydrophobicContact CE-CZ 3.98Å; M264-F488 HydrophobicContact SD-CE1 3.75Å; M264-F488 HydrophobicContact SD-CZ 3.88Å; V274-F488 HydrophobicContact CB-CE2 4.2Å; V274-F488 HydrophobicContact CB-CZ 4.23Å; V274-F488 HydrophobicContact CG1-CE2 4.45Å; V274-F488 HydrophobicContact CG1-CZ 4.23Å; V274-F488 VanDerWaalsContact O-CE2 3.22Å; V274-F488 WeakPolarHBondContact O-CE2 3.44Å; L276-F488 HydrophobicContact CD1-CD1 4.31Å; L276-F488 HydrophobicContact CD1-CE1 3.59Å; L276-F488 HydrophobicContact CD1-CZ 4Å; L276-F488 HydrophobicContact CG-CE1 4.05Å; L276-F488 HydrophobicContact CG-CZ 4.12Å; L276-F488 PolarHBondContact N-O 2.94Å; L276-F488 PolarHBondContact O-N 2.75Å
489	G	98.4	Very high	98.4	Very high	5 Å²	5	43.2 Å²	43.2	5%	0.052	20%	0.203	C	C	.	.	S	Bend	trans	82.1	176	-160.1	0	0	0	0	0	110.8
490	R	98.4	Very high	98.5	Very high	47 Å²	47	40.6 Å²	40.6	18%	0.177	19%	0.186	C	C	.	.			trans	-136.3	150.9	176.9	-60.2	-66.9	177	-104.9	6.7	109.7	P479 F480 G482 Y483 V495 T496 Y499	P479-R490 HydrophobicContact CB-CB 4.19Å; P479-R490 HydrophobicContact CB-CG 4.23Å; F480-R490 CarbonylContact O-C 3.5Å; F480-R490 WeakPolarHBondContact O-CA 3.27Å; G482-R490 PolarHBondContact O-NH1 2.97Å; G482-R490 PolarHBondContact O-NH2 2.94Å; Y483-R490 VanDerWaalsContact CE1-NH2 3.3Å; R490-V495 HydrophobicContact CB-CG1 3.9Å; R490-V495 HydrophobicContact CG-CG1 4.1Å; R490-T496 PolarHBondContact O-OG1 3.22Å; R490-T496 VanDerWaalsContact O-OG1 3.08Å; R490-Y499 HydrophobicContact CB-CD2 4.44Å; R490-Y499 HydrophobicContact CB-CE2 3.87Å; R490-Y499 HydrophobicContact CG-CE2 4.19Å; R490-Y499 VanDerWaalsContact N-CE2 3.26Å
491	E	98.2	Very high	98.5	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-107.8	164.4	161.2	-60.5	-72.4	-172.5	0	0	108.4	T188 K189 S252 E277 P479 F480 T496	T188-E491 HydrophobicContact CG2-CB 3.7Å; T188-E491 HydrophobicContact CG2-CG 4.12Å; K189-E491 IonicContact NZ-OE1 2.68Å; K189-E491 PolarHBondContact NZ-OE1 2.99Å; S252-E491 PolarHBondContact OG-OE1 3.25Å; E277-E491 HydrophobicContact CG-CG 3.91Å; P479-E491 WeakPolarHBondContact CA-O 3.29Å; F480-E491 PolarHBondContact N-O 2.85Å; F480-E491 PolarHBondContact O-N 3.31Å; E491-T496 VanDerWaalsContact CA-OG1 3.3Å; E491-T496 WeakPolarHBondContact CA-OG1 3.18Å; E491-T496 PolarHBondContact O-OG1 2.58Å
492	N	98.1	Very high	98.5	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.027	20%	0.2	C	C	.	.	S	Bend	trans	57.9	169.5	-174.5	-63.9	-16.5	0	0	0	115	Y143 M478 T496	Y143-N492 VanDerWaalsContact OH-C 3.26Å; Y143-N492 WeakPolarHBondContact OH-CA 3.46Å; Y143-N492 PolarHBondContact OH-N 3.13Å; M478-N492 WeakPolarHBondContact O-CB 3.47Å; N492-T496 PolarHBondContact N-OG1 2.65Å; N492-T496 WeakPolarHBondContact O-CB 3.47Å; N492-T496 PolarHBondContact O-OG1 2.71Å
493	G	98.2	Very high	98.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	176.9	179.9	0	0	0	0	0	114.4	Y143 V476 E477 V495 T496	Y143-G493 PolarHBondContact OH-O 2.85Å; V476-G493 WeakPolarHBondContact O-CA 3.22Å; V476-G493 PolarHBondContact O-N 3.35Å; E477-G493 WeakPolarHBondContact O-CA 3.38Å; G493-V495 PolarHBondContact O-N 2.67Å; G493-T496 PolarHBondContact O-N 2.86Å
494	Q	98.3	Very high	98.5	Very high	148 Å²	148	46 Å²	46	69%	0.692	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-68.9	-34.5	-174.3	176.9	171.8	-10.6	0	0	113.5	M146 T496 I497	M146-Q494 HydrophobicContact CE-CB 4.01Å; M146-Q494 HydrophobicContact CE-CG 3.71Å; Q494-T496 PolarHBondContact O-N 3.46Å; Q494-T496 VanDerWaalsContact O-N 3.14Å; Q494-I497 WeakPolarHBondContact O-CB 3.37Å; Q494-I497 WeakPolarHBondContact O-CG1 3.44Å; Q494-I497 PolarHBondContact O-N 2.92Å
495	V	98.4	Very high	98.6	Very high	44 Å²	44	46.3 Å²	46.3	27%	0.267	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-60.4	-25.6	-177.5	70.9	0	0	0	0	112.5	P479 R490 G493 I497 E498 Y499	P479-V495 HydrophobicContact CB-CG1 3.58Å; P479-V495 HydrophobicContact CG-CG1 4.32Å; R490-V495 HydrophobicContact CB-CG1 3.9Å; R490-V495 HydrophobicContact CG-CG1 4.1Å; G493-V495 PolarHBondContact O-N 2.67Å; V495-I497 PolarHBondContact O-N 2.68Å; V495-I497 VanDerWaalsContact O-N 3.14Å; V495-E498 VanDerWaalsContact O-CB 3.3Å; V495-E498 WeakPolarHBondContact O-CB 3.35Å; V495-E498 WeakPolarHBondContact O-CG 3.19Å; V495-E498 PolarHBondContact O-N 3.1Å; V495-Y499 HydrophobicContact CG2-CE2 4.28Å
496	T	98.7	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-62.3	-25.7	-177.6	-67.9	0	0	0	0	113.3	Y143 P192 R490 E491 N492 G493 Q494 E498 Y499 Y500	Y143-T496 WeakPolarHBondContact OH-CB 3.47Å; Y143-T496 WeakPolarHBondContact OH-CG2 3.13Å; P192-T496 HydrophobicContact CB-CG2 3.81Å; P192-T496 HydrophobicContact CG-CG2 3.93Å; R490-T496 PolarHBondContact O-OG1 3.22Å; R490-T496 VanDerWaalsContact O-OG1 3.08Å; E491-T496 VanDerWaalsContact CA-OG1 3.3Å; E491-T496 WeakPolarHBondContact CA-OG1 3.18Å; E491-T496 PolarHBondContact O-OG1 2.58Å; N492-T496 PolarHBondContact N-OG1 2.65Å; N492-T496 WeakPolarHBondContact O-CB 3.47Å; N492-T496 PolarHBondContact O-OG1 2.71Å; G493-T496 PolarHBondContact O-N 2.86Å; Q494-T496 PolarHBondContact O-N 3.46Å; Q494-T496 VanDerWaalsContact O-N 3.14Å; T496-E498 PolarHBondContact O-N 2.69Å; T496-Y499 PolarHBondContact O-N 2.8Å; T496-Y500 HydrophobicContact CG2-CD2 4.02Å; T496-Y500 HydrophobicContact CG2-CE2 4.18Å; T496-Y500 PolarHBondContact O-N 2.85Å
497	I	98.5	Very high	98.6	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.036	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.4	172.4	-63.7	-55.2	0	0	0	112.1	Y143 M146 L150 C196 Q494 V495 Y499 Y500 S501	Y143-I497 HydrophobicContact CD1-CD1 3.94Å; Y143-I497 HydrophobicContact CE1-CD1 4.02Å; M146-I497 HydrophobicContact CE-CD1 3.94Å; M146-I497 HydrophobicContact CE-CG1 3.32Å; M146-I497 HydrophobicContact SD-CG1 4.49Å; L150-I497 HydrophobicContact CD2-CB 4.39Å; L150-I497 HydrophobicContact CD2-CD1 4.08Å; L150-I497 HydrophobicContact CD2-CG1 4.05Å; L150-I497 HydrophobicContact CD2-CG2 3.45Å; L150-I497 VanDerWaalsContact CD2-CG2 3.45Å; C196-I497 VanDerWaalsContact SG-CD1 3.56Å; Q494-I497 WeakPolarHBondContact O-CB 3.37Å; Q494-I497 WeakPolarHBondContact O-CG1 3.44Å; Q494-I497 PolarHBondContact O-N 2.92Å; V495-I497 PolarHBondContact O-N 2.68Å; V495-I497 VanDerWaalsContact O-N 3.14Å; I497-Y499 PolarHBondContact O-N 3.25Å; I497-Y500 CarbonylContact O-C 3.59Å; I497-Y500 PolarHBondContact O-N 3.19Å; I497-S501 WeakPolarHBondContact O-CB 3.49Å; I497-S501 PolarHBondContact O-N 2.93Å; I497-S501 PolarHBondContact O-OG 3.35Å
498	E	98.4	Very high	98.5	Very high	112 Å²	112	50.1 Å²	50.1	52%	0.523	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.6	-28.7	179.1	-59.9	-178.9	-180	0	0	112.1	V495 T496 Y500 S501	V495-E498 VanDerWaalsContact O-CB 3.3Å; V495-E498 WeakPolarHBondContact O-CB 3.35Å; V495-E498 WeakPolarHBondContact O-CG 3.19Å; V495-E498 PolarHBondContact O-N 3.1Å; T496-E498 PolarHBondContact O-N 2.69Å; E498-Y500 VanDerWaalsContact C-N 3.34Å; E498-S501 VanDerWaalsContact O-O 3.08Å
499	Y	98.7	Very high	98.5	Very high	67 Å²	67	50.9 Å²	50.9	26%	0.263	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-86.2	-6.1	177.9	-55.3	-67.4	0	0	0	113.3	K250 R490 V495 T496 I497	K250-Y499 WeakPolarHBondContact CD-O 3.46Å; K250-Y499 WeakPolarHBondContact CE-O 3.48Å; K250-Y499 PolarHBondContact NZ-O 2.78Å; R490-Y499 HydrophobicContact CB-CD2 4.44Å; R490-Y499 HydrophobicContact CB-CE2 3.87Å; R490-Y499 HydrophobicContact CG-CE2 4.19Å; R490-Y499 VanDerWaalsContact N-CE2 3.26Å; V495-Y499 HydrophobicContact CG2-CE2 4.28Å; T496-Y499 PolarHBondContact O-N 2.8Å; I497-Y499 PolarHBondContact O-N 3.25Å
500	Y	98.9	Very high	98.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-121.7	8.9	178.1	-78.9	-79.4	0	0	0	113.2	C173 K189 P192 A193 C196 N198 M200 K250 S252 T496 I497 E498	C173-Y500 HydrophobicContact CB-CE1 4.22Å; K189-Y500 PolarHBondContact O-OH 3.43Å; P192-Y500 HydrophobicContact CB-CD2 3.82Å; P192-Y500 HydrophobicContact CB-CE2 4.18Å; P192-Y500 HydrophobicContact CB-CG 4.4Å; P192-Y500 HydrophobicContact CG-CD2 3.96Å; P192-Y500 HydrophobicContact CG-CE2 3.77Å; A193-Y500 HydrophobicContact CB-CD1 3.55Å; A193-Y500 HydrophobicContact CB-CE1 3.51Å; A193-Y500 HydrophobicContact CB-CG 4.4Å; C196-Y500 WeakPolarHBondContact CB-O 3.48Å; N198-Y500 PolarHBondContact ND2-O 2.85Å; M200-Y500 HydrophobicContact CE-CE1 3.99Å; K250-Y500 HydrophobicContact CD-CD1 3.83Å; K250-Y500 HydrophobicContact CD-CE1 3.74Å; K250-Y500 HydrophobicContact CD-CG 4.45Å; S252-Y500 WeakPolarHBondContact CB-OH 3.39Å; T496-Y500 HydrophobicContact CG2-CD2 4.02Å; T496-Y500 HydrophobicContact CG2-CE2 4.18Å; T496-Y500 PolarHBondContact O-N 2.85Å; I497-Y500 CarbonylContact O-C 3.59Å; I497-Y500 PolarHBondContact O-N 3.19Å; E498-Y500 VanDerWaalsContact C-N 3.34Å
501	S	98.8	Very high	98.2	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	170.3	175.2	63.6	0	0	0	0	110.9	R167 E168 I497 E498	R167-S501 WeakPolarHBondContact CD-OG 3.44Å; R167-S501 WeakPolarHBondContact CG-OG 3.33Å; R167-S501 PolarHBondContact NH1-OG 3.17Å; E168-S501 CarbonylContact O-C 3.53Å; E168-S501 VanDerWaalsContact O-CA 3.23Å; E168-S501 WeakPolarHBondContact O-CA 3.37Å; E168-S501 WeakPolarHBondContact O-CB 3.26Å; I497-S501 WeakPolarHBondContact O-CB 3.49Å; I497-S501 PolarHBondContact O-N 2.93Å; I497-S501 PolarHBondContact O-OG 3.35Å; E498-S501 VanDerWaalsContact O-O 3.08Å
502	Q	98.8	Very high	98	Very high	87 Å²	87	63.8 Å²	63.8	41%	0.407	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.8	176.7	58.5	-174.8	93.2	0	0	110.8	R167 E168 L170	R167-Q502 WeakPolarHBondContact CA-O 3.2Å; E168-Q502 HydrophobicContact CB-CG 4.35Å; E168-Q502 PolarHBondContact N-O 2.64Å; E168-Q502 PolarHBondContact O-N 3.02Å; L170-Q502 HydrophobicContact CD2-CB 3.9Å; L170-Q502 HydrophobicContact CD2-CG 4.02Å
503	L	98.8	Very high	98	Very high	81 Å²	81	69.4 Å²	69.4	42%	0.424	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.4	175	-65	178.7	0	0	0	110.2	R166 R167	R166-L503 WeakPolarHBondContact O-CA 3.41Å; R167-L503 HydrophobicContact CB-CD2 4.06Å
504	K	98.8	Very high	97.7	Very high	94 Å²	94	78 Å²	78	41%	0.409	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.6	163.9	177.4	179.3	-70.8	152.5	0	108.6	T165 R166 E168 V506	T165-K504 CarbonylContact C-O 3.5Å; T165-K504 VanDerWaalsContact CA-O 3.25Å; T165-K504 WeakPolarHBondContact CA-O 3.48Å; R166-K504 HydrophobicContact CB-CB 4.44Å; R166-K504 PolarHBondContact N-O 3.03Å; R166-K504 PolarHBondContact O-N 3.32Å; E168-K504 IonicContact OE1-NZ 2.69Å; E168-K504 PolarHBondContact OE1-NZ 3.24Å; E168-K504 VanDerWaalsContact OE2-CE 3.27Å; E168-K504 WeakPolarHBondContact OE2-CE 3.44Å; E168-K504 IonicContact OE2-NZ 2.77Å; E168-K504 PolarHBondContact OE2-NZ 2.84Å; K504-V506 HydrophobicContact CD-CG2 4.42Å; K504-V506 HydrophobicContact CG-CG2 4.23Å
505	T	98.8	Very high	97.3	Very high	94 Å²	94	76 Å²	76	58%	0.577	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.1	170.7	-57.2	0	0	0	0	109.6	A163 V507	A163-T505 HydrophobicContact CB-CG2 4.47Å; T505-V507 HydrophobicContact CG2-CG2 4.4Å
506	V	98.8	Very high	97	Very high	35 Å²	35	82.5 Å²	82.5	21%	0.212	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.4	173.5	-175.8	0	0	0	0	107.5	A163 Y164 K504 V508	A163-V506 CarbonylContact C-O 3.58Å; A163-V506 WeakPolarHBondContact CA-O 3.41Å; Y164-V506 HydrophobicContact CD1-CB 4.06Å; Y164-V506 HydrophobicContact CD1-CG1 4.36Å; Y164-V506 HydrophobicContact CD2-CB 4.28Å; Y164-V506 HydrophobicContact CD2-CG2 4.48Å; Y164-V506 HydrophobicContact CE1-CB 3.63Å; Y164-V506 HydrophobicContact CE1-CG1 3.55Å; Y164-V506 HydrophobicContact CE1-CG2 4.45Å; Y164-V506 HydrophobicContact CE2-CB 3.86Å; Y164-V506 HydrophobicContact CE2-CG1 4.4Å; Y164-V506 HydrophobicContact CE2-CG2 3.85Å; Y164-V506 HydrophobicContact CG-CB 4.38Å; Y164-V506 PolarHBondContact N-O 3.27Å; Y164-V506 PolarHBondContact O-N 2.85Å; K504-V506 HydrophobicContact CD-CG2 4.42Å; K504-V506 HydrophobicContact CG-CG2 4.23Å; V506-V508 HydrophobicContact CG1-CG2 4.34Å
507	V	98.5	Very high	96.5	Very high	94 Å²	94	93.7 Å²	93.7	57%	0.57	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.4	174.8	-175.9	0	0	0	0	107.7	L157 A163 T505	L157-V507 HydrophobicContact CD1-CG1 4.03Å; A163-V507 HydrophobicContact CB-CG2 4.21Å; T505-V507 HydrophobicContact CG2-CG2 4.4Å
508	V	98.4	Very high	96.4	Very high	40 Å²	40	98.1 Å²	98.1	24%	0.242	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.1	179	-176	0	0	0	0	107.7	F162 Y164 V506 L510	F162-V508 HydrophobicContact CD1-CB 4.06Å; F162-V508 HydrophobicContact CD1-CG1 4.48Å; F162-V508 HydrophobicContact CE1-CB 3.57Å; F162-V508 HydrophobicContact CE1-CG1 3.67Å; F162-V508 HydrophobicContact CE1-CG2 4.19Å; F162-V508 HydrophobicContact CE2-CB 4.09Å; F162-V508 HydrophobicContact CE2-CG2 3.89Å; F162-V508 HydrophobicContact CZ-CB 3.58Å; F162-V508 HydrophobicContact CZ-CG1 3.85Å; F162-V508 HydrophobicContact CZ-CG2 3.65Å; F162-V508 PolarHBondContact N-O 3.33Å; F162-V508 PolarHBondContact O-N 3.45Å; Y164-V508 HydrophobicContact CD1-CG2 4.29Å; Y164-V508 HydrophobicContact CE1-CG2 3.78Å; V506-V508 HydrophobicContact CG1-CG2 4.34Å; V508-L510 HydrophobicContact CG1-CD2 3.88Å; V508-L510 HydrophobicContact CG1-CG 4.44Å
509	E	97.7	Very high	96.3	Very high	98 Å²	98	97.3 Å²	97.3	46%	0.458	51%	0.507	S	S	.	.			trans	-78.2	132.1	164.2	-176.5	49.3	-104	0	0	108.5	G511	E509-G511 PolarHBondContact OE1-N 3.49Å
510	L	96.3	Very high	96.1	Very high	121 Å²	121	99 Å²	99	63%	0.634	52%	0.52	S	S	*	.			trans	-107.4	-16.9	179.3	-68	-179.2	0	0	0	112.5	F162 V508	F162-L510 HydrophobicContact CD1-CD1 4.11Å; F162-L510 HydrophobicContact CD1-CG 4.4Å; F162-L510 HydrophobicContact CE1-CD1 4.08Å; F162-L510 HydrophobicContact CE1-CD2 4.18Å; F162-L510 HydrophobicContact CE1-CG 4.2Å; V508-L510 HydrophobicContact CG1-CD2 3.88Å; V508-L510 HydrophobicContact CG1-CG 4.44Å
511	G	94.4	Very high	96	Very high	53 Å²	53	104.8 Å²	104.8	55%	0.546	55%	0.551	S	S	.	*	S	Bend	trans	-100.8	-152.9	172.8	0	0	0	0	0	113	E509	E509-G511 PolarHBondContact OE1-N 3.49Å
512	D	94.9	Very high	95.8	Very high	154 Å²	154	111.1 Å²	111.1	82%	0.824	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-82.3	151.2	176.2	-65.9	-45.3	0	0	0	111.2	E514	D512-E514 PolarHBondContact O-N 3.1Å
513	V	96.6	Very high	95.6	Very high	124 Å²	124	112.7 Å²	112.7	75%	0.752	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-69.4	118.7	172.7	178	0	0	0	0	108.7	N515	V513-N515 PolarHBondContact O-N 3.21Å
514	E	91.4	Very high	95.4	Very high	181 Å²	181	114.9 Å²	114.9	85%	0.846	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-58.9	121.1	167.7	-71.7	-169.8	173.9	0	0	109.3	D512	D512-E514 PolarHBondContact O-N 3.1Å
515	N	90.1	Very high	95.1	Very high	106 Å²	106	116.5 Å²	116.5	57%	0.567	62%	0.622	S	S	*	*			trans	-124.7	129	-176.5	-177.2	16.3	0	0	0	109.8	V513 F517	V513-N515 PolarHBondContact O-N 3.21Å; N515-F517 PolarHBondContact ND2-OXT 3.24Å; N515-F517 PolarHBondContact OD1-N 3.04Å; N515-F517 PolarHBondContact OD1-OXT 3.27Å
516	H	92.1	Very high	94.8	Very high	180 Å²	180	118.4 Å²	118.4	83%	0.833	63%	0.626	S	S	*	*			trans	-87	-3.9	177.9	-71.7	-57.8	0	0	0	113.7
517	F	88.3	Confident	94.4	Very high	235 Å²	235	126 Å²	126	100%	1.031	66%	0.664	S	S	*	*			trans	-115.1	0	177.7	-49.5	-70.7	0	0	0	110.8	N515	N515-F517 PolarHBondContact ND2-OXT 3.24Å; N515-F517 PolarHBondContact OD1-N 3.04Å; N515-F517 PolarHBondContact OD1-OXT 3.27Å

Retrieved 517 of 517 residues in 354.8 ms (Link to these results)

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